data_19536 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19536 _Entry.Title ; 1H, 13C, 15N chemical shift assignments of Streptomyces virginiae VirA acp5a ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2013-10-05 _Entry.Accession_date 2013-10-05 _Entry.Last_release_date 2014-06-02 _Entry.Original_release_date 2014-06-02 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Jack Davison . . . 19536 2 Jonathan Dorival . . . 19536 3 M Rabeharindranto . Hery . 19536 4 Hortense Mazon . . . 19536 5 Benjamin Chagot . . . 19536 6 Arnaud Gruez . . . 19536 7 Kira Weissman . J. . 19536 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 19536 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'acyl carrier protein' . 19536 'polyketide synthase' . 19536 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19536 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 364 19536 '15N chemical shifts' 88 19536 '1H chemical shifts' 587 19536 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2014-06-02 2013-10-05 original author . 19536 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 19539 'NMR assignments of streptomyces virginiae VirA acp5b' 19536 PDB 2mf4 'BMRB Entry Tracking System' 19536 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 19536 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'NMR assignements of ACP5a' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Not known' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _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 Jack Davison . . . 19536 1 2 Jonathan Dorival . . . 19536 1 3 M Rabeharindranto . Hery . 19536 1 4 Hortense Mazon . . . 19536 1 5 Benjamin Chagot . . . 19536 1 6 Arnaud Gruez . . . 19536 1 7 Kira Weissman . J. . 19536 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19536 _Assembly.ID 1 _Assembly.Name acp5a _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 acp5a 1 $entity A . yes native no no . . . 19536 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 19536 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GPGSAGRQEEIAEEVARLLA GVLYLEPDRLDPEETFLTLG VDSILGVEFVAAVNAAYPVG VKATALYDHPTPAAFARHIA ESLGA ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 85 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 8883.024 _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 2MF4 . "1h, 13c, 15n Chemical Shift Assignments Of Streptomyces Virginiae Vira Acp5a" . . . . . 100.00 85 100.00 100.00 7.71e-51 . . . . 19536 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 -4 GLY . 19536 1 2 -3 PRO . 19536 1 3 -2 GLY . 19536 1 4 -1 SER . 19536 1 5 6732 ALA . 19536 1 6 6733 GLY . 19536 1 7 6734 ARG . 19536 1 8 6735 GLN . 19536 1 9 6736 GLU . 19536 1 10 6737 GLU . 19536 1 11 6738 ILE . 19536 1 12 6739 ALA . 19536 1 13 6740 GLU . 19536 1 14 6741 GLU . 19536 1 15 6742 VAL . 19536 1 16 6743 ALA . 19536 1 17 6744 ARG . 19536 1 18 6745 LEU . 19536 1 19 6746 LEU . 19536 1 20 6747 ALA . 19536 1 21 6748 GLY . 19536 1 22 6749 VAL . 19536 1 23 6750 LEU . 19536 1 24 6751 TYR . 19536 1 25 6752 LEU . 19536 1 26 6753 GLU . 19536 1 27 6754 PRO . 19536 1 28 6755 ASP . 19536 1 29 6756 ARG . 19536 1 30 6757 LEU . 19536 1 31 6758 ASP . 19536 1 32 6759 PRO . 19536 1 33 6760 GLU . 19536 1 34 6761 GLU . 19536 1 35 6762 THR . 19536 1 36 6763 PHE . 19536 1 37 6764 LEU . 19536 1 38 6765 THR . 19536 1 39 6766 LEU . 19536 1 40 6767 GLY . 19536 1 41 6768 VAL . 19536 1 42 6769 ASP . 19536 1 43 6770 SER . 19536 1 44 6771 ILE . 19536 1 45 6772 LEU . 19536 1 46 6773 GLY . 19536 1 47 6774 VAL . 19536 1 48 6775 GLU . 19536 1 49 6776 PHE . 19536 1 50 6777 VAL . 19536 1 51 6778 ALA . 19536 1 52 6779 ALA . 19536 1 53 6780 VAL . 19536 1 54 6781 ASN . 19536 1 55 6782 ALA . 19536 1 56 6783 ALA . 19536 1 57 6784 TYR . 19536 1 58 6785 PRO . 19536 1 59 6786 VAL . 19536 1 60 6787 GLY . 19536 1 61 6788 VAL . 19536 1 62 6789 LYS . 19536 1 63 6790 ALA . 19536 1 64 6791 THR . 19536 1 65 6792 ALA . 19536 1 66 6793 LEU . 19536 1 67 6794 TYR . 19536 1 68 6795 ASP . 19536 1 69 6796 HIS . 19536 1 70 6797 PRO . 19536 1 71 6798 THR . 19536 1 72 6799 PRO . 19536 1 73 6800 ALA . 19536 1 74 6801 ALA . 19536 1 75 6802 PHE . 19536 1 76 6803 ALA . 19536 1 77 6804 ARG . 19536 1 78 6805 HIS . 19536 1 79 6806 ILE . 19536 1 80 6807 ALA . 19536 1 81 6808 GLU . 19536 1 82 6809 SER . 19536 1 83 6810 LEU . 19536 1 84 6811 GLY . 19536 1 85 6812 ALA . 19536 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 19536 1 . PRO 2 2 19536 1 . GLY 3 3 19536 1 . SER 4 4 19536 1 . ALA 5 5 19536 1 . GLY 6 6 19536 1 . ARG 7 7 19536 1 . GLN 8 8 19536 1 . GLU 9 9 19536 1 . GLU 10 10 19536 1 . ILE 11 11 19536 1 . ALA 12 12 19536 1 . GLU 13 13 19536 1 . GLU 14 14 19536 1 . VAL 15 15 19536 1 . ALA 16 16 19536 1 . ARG 17 17 19536 1 . LEU 18 18 19536 1 . LEU 19 19 19536 1 . ALA 20 20 19536 1 . GLY 21 21 19536 1 . VAL 22 22 19536 1 . LEU 23 23 19536 1 . TYR 24 24 19536 1 . LEU 25 25 19536 1 . GLU 26 26 19536 1 . PRO 27 27 19536 1 . ASP 28 28 19536 1 . ARG 29 29 19536 1 . LEU 30 30 19536 1 . ASP 31 31 19536 1 . PRO 32 32 19536 1 . GLU 33 33 19536 1 . GLU 34 34 19536 1 . THR 35 35 19536 1 . PHE 36 36 19536 1 . LEU 37 37 19536 1 . THR 38 38 19536 1 . LEU 39 39 19536 1 . GLY 40 40 19536 1 . VAL 41 41 19536 1 . ASP 42 42 19536 1 . SER 43 43 19536 1 . ILE 44 44 19536 1 . LEU 45 45 19536 1 . GLY 46 46 19536 1 . VAL 47 47 19536 1 . GLU 48 48 19536 1 . PHE 49 49 19536 1 . VAL 50 50 19536 1 . ALA 51 51 19536 1 . ALA 52 52 19536 1 . VAL 53 53 19536 1 . ASN 54 54 19536 1 . ALA 55 55 19536 1 . ALA 56 56 19536 1 . TYR 57 57 19536 1 . PRO 58 58 19536 1 . VAL 59 59 19536 1 . GLY 60 60 19536 1 . VAL 61 61 19536 1 . LYS 62 62 19536 1 . ALA 63 63 19536 1 . THR 64 64 19536 1 . ALA 65 65 19536 1 . LEU 66 66 19536 1 . TYR 67 67 19536 1 . ASP 68 68 19536 1 . HIS 69 69 19536 1 . PRO 70 70 19536 1 . THR 71 71 19536 1 . PRO 72 72 19536 1 . ALA 73 73 19536 1 . ALA 74 74 19536 1 . PHE 75 75 19536 1 . ALA 76 76 19536 1 . ARG 77 77 19536 1 . HIS 78 78 19536 1 . ILE 79 79 19536 1 . ALA 80 80 19536 1 . GLU 81 81 19536 1 . SER 82 82 19536 1 . LEU 83 83 19536 1 . GLY 84 84 19536 1 . ALA 85 85 19536 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 19536 _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 $entity . 1961 organism . 'Streptomyces virginiae' 'Streptomyces virginiae' . . Bacteria . Streptomyces virginiae . . . . . . . . . . . . . . . . . . . . . 19536 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 19536 _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 $entity . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'BL21 (DE3)' . . . . . . . . . . . . . . . 'pBG102 (pET27 derivative)' . . . . . . 19536 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 19536 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'sodium phosphate' 'natural abundance' . . . . . . 100 . . mM . . . . 19536 1 2 EDTA 'natural abundance' . . . . . . 1 . . mM . . . . 19536 1 3 acp5a '[U-99% 13C; U-99% 15N]' . . 1 $entity . . 1 . . mM . . . . 19536 1 4 H2O 'natural abundance' . . . . . . 90 . . % . . . . 19536 1 5 D2O 'natural abundance' . . . . . . 10 . . % . . . . 19536 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 19536 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.1 . M 19536 1 pH 6 . pH 19536 1 pressure 1 . atm 19536 1 temperature 298 . K 19536 1 stop_ save_ ############################ # Computer software used # ############################ save_AMBER _Software.Sf_category software _Software.Sf_framecode AMBER _Software.Entry_ID 19536 _Software.ID 1 _Software.Name AMBER _Software.Version 11 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollman' . . 19536 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 19536 1 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 19536 _Software.ID 2 _Software.Name CYANA _Software.Version 3 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 19536 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 19536 2 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 19536 _Software.ID 3 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 19536 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 19536 3 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 19536 _Software.ID 4 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 19536 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 19536 4 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 19536 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 19536 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker AMX . 600 . . . 19536 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 19536 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19536 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19536 1 3 '2D 1H-1H TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19536 1 4 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19536 1 5 '2D 1H-1H COSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19536 1 6 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19536 1 7 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19536 1 8 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19536 1 9 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19536 1 10 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19536 1 11 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19536 1 12 '3D HCCH-COSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19536 1 13 '3D HNHA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19536 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 19536 _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 0.0 internal indirect 0.251449528 . . . . . . . . . 19536 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.000000000 . . . . . . . . . 19536 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 internal indirect 0.101329118 . . . . . . . . . 19536 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 19536 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' 1 $sample_1 . 19536 1 2 '2D 1H-13C HSQC' 1 $sample_1 . 19536 1 3 '2D 1H-1H TOCSY' 1 $sample_1 . 19536 1 5 '2D 1H-1H COSY' 1 $sample_1 . 19536 1 6 '3D CBCA(CO)NH' 1 $sample_1 . 19536 1 7 '3D HCCH-TOCSY' 1 $sample_1 . 19536 1 9 '3D HNCACB' 1 $sample_1 . 19536 1 12 '3D HCCH-COSY' 1 $sample_1 . 19536 1 13 '3D HNHA' 1 $sample_1 . 19536 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 GLY HA2 H 1 4.004 0.005 . 2 . . . A -4 GLY HA2 . 19536 1 2 . 1 1 1 1 GLY HA3 H 1 4.004 0.005 . 2 . . . A -4 GLY HA3 . 19536 1 3 . 1 1 1 1 GLY CA C 13 42.961 0.000 . 1 . . . A -4 GLY CA . 19536 1 4 . 1 1 2 2 PRO HA H 1 4.490 0.008 . 1 . . . A -3 PRO HA . 19536 1 5 . 1 1 2 2 PRO HB2 H 1 2.000 0.010 . 2 . . . A -3 PRO HB2 . 19536 1 6 . 1 1 2 2 PRO HB3 H 1 2.311 0.005 . 2 . . . A -3 PRO HB3 . 19536 1 7 . 1 1 2 2 PRO HG2 H 1 2.043 0.009 . 2 . . . A -3 PRO HG2 . 19536 1 8 . 1 1 2 2 PRO HG3 H 1 2.043 0.009 . 2 . . . A -3 PRO HG3 . 19536 1 9 . 1 1 2 2 PRO HD2 H 1 3.582 0.011 . 2 . . . A -3 PRO HD2 . 19536 1 10 . 1 1 2 2 PRO HD3 H 1 3.613 0.007 . 2 . . . A -3 PRO HD3 . 19536 1 11 . 1 1 2 2 PRO C C 13 177.582 0.010 . 1 . . . A -3 PRO C . 19536 1 12 . 1 1 2 2 PRO CA C 13 63.461 0.059 . 1 . . . A -3 PRO CA . 19536 1 13 . 1 1 2 2 PRO CB C 13 32.217 0.068 . 1 . . . A -3 PRO CB . 19536 1 14 . 1 1 2 2 PRO CG C 13 27.171 0.051 . 1 . . . A -3 PRO CG . 19536 1 15 . 1 1 2 2 PRO CD C 13 49.696 0.048 . 1 . . . A -3 PRO CD . 19536 1 16 . 1 1 3 3 GLY H H 1 8.715 0.004 . 1 . . . A -2 GLY H . 19536 1 17 . 1 1 3 3 GLY HA2 H 1 3.543 0.000 . 2 . . . A -2 GLY HA2 . 19536 1 18 . 1 1 3 3 GLY HA3 H 1 4.253 0.001 . 2 . . . A -2 GLY HA3 . 19536 1 19 . 1 1 3 3 GLY C C 13 174.480 0.005 . 1 . . . A -2 GLY C . 19536 1 20 . 1 1 3 3 GLY CA C 13 45.309 0.042 . 1 . . . A -2 GLY CA . 19536 1 21 . 1 1 3 3 GLY N N 15 110.101 0.024 . 1 . . . A -2 GLY N . 19536 1 22 . 1 1 4 4 SER H H 1 8.270 0.005 . 1 . . . A -1 SER H . 19536 1 23 . 1 1 4 4 SER HA H 1 4.439 0.005 . 1 . . . A -1 SER HA . 19536 1 24 . 1 1 4 4 SER HB2 H 1 3.884 0.003 . 2 . . . A -1 SER HB2 . 19536 1 25 . 1 1 4 4 SER HB3 H 1 3.910 0.006 . 2 . . . A -1 SER HB3 . 19536 1 26 . 1 1 4 4 SER C C 13 174.723 0.005 . 1 . . . A -1 SER C . 19536 1 27 . 1 1 4 4 SER CA C 13 58.688 0.103 . 1 . . . A -1 SER CA . 19536 1 28 . 1 1 4 4 SER CB C 13 63.824 0.077 . 1 . . . A -1 SER CB . 19536 1 29 . 1 1 4 4 SER N N 15 116.047 0.014 . 1 . . . A -1 SER N . 19536 1 30 . 1 1 5 5 ALA H H 1 8.514 0.004 . 1 . . . A 6732 ALA H . 19536 1 31 . 1 1 5 5 ALA HA H 1 4.330 0.003 . 1 . . . A 6732 ALA HA . 19536 1 32 . 1 1 5 5 ALA HB1 H 1 1.418 0.002 . 1 . . . A 6732 ALA HB1 . 19536 1 33 . 1 1 5 5 ALA HB2 H 1 1.418 0.002 . 1 . . . A 6732 ALA HB2 . 19536 1 34 . 1 1 5 5 ALA HB3 H 1 1.418 0.002 . 1 . . . A 6732 ALA HB3 . 19536 1 35 . 1 1 5 5 ALA C C 13 178.562 0.007 . 1 . . . A 6732 ALA C . 19536 1 36 . 1 1 5 5 ALA CA C 13 53.191 0.076 . 1 . . . A 6732 ALA CA . 19536 1 37 . 1 1 5 5 ALA CB C 13 19.071 0.045 . 1 . . . A 6732 ALA CB . 19536 1 38 . 1 1 5 5 ALA N N 15 126.162 0.024 . 1 . . . A 6732 ALA N . 19536 1 39 . 1 1 6 6 GLY H H 1 8.422 0.003 . 1 . . . A 6733 GLY H . 19536 1 40 . 1 1 6 6 GLY HA2 H 1 4.016 0.009 . 2 . . . A 6733 GLY HA2 . 19536 1 41 . 1 1 6 6 GLY HA3 H 1 4.016 0.009 . 2 . . . A 6733 GLY HA3 . 19536 1 42 . 1 1 6 6 GLY C C 13 175.119 0.003 . 1 . . . A 6733 GLY C . 19536 1 43 . 1 1 6 6 GLY CA C 13 45.748 0.084 . 1 . . . A 6733 GLY CA . 19536 1 44 . 1 1 6 6 GLY N N 15 108.151 0.022 . 1 . . . A 6733 GLY N . 19536 1 45 . 1 1 7 7 ARG H H 1 8.334 0.004 . 1 . . . A 6734 ARG H . 19536 1 46 . 1 1 7 7 ARG HA H 1 4.314 0.006 . 1 . . . A 6734 ARG HA . 19536 1 47 . 1 1 7 7 ARG HB2 H 1 1.829 0.006 . 2 . . . A 6734 ARG HB2 . 19536 1 48 . 1 1 7 7 ARG HB3 H 1 1.979 0.005 . 2 . . . A 6734 ARG HB3 . 19536 1 49 . 1 1 7 7 ARG HG2 H 1 1.694 0.005 . 2 . . . A 6734 ARG HG2 . 19536 1 50 . 1 1 7 7 ARG HG3 H 1 1.694 0.005 . 2 . . . A 6734 ARG HG3 . 19536 1 51 . 1 1 7 7 ARG HD2 H 1 3.169 0.006 . 2 . . . A 6734 ARG HD2 . 19536 1 52 . 1 1 7 7 ARG HD3 H 1 3.311 0.005 . 2 . . . A 6734 ARG HD3 . 19536 1 53 . 1 1 7 7 ARG HE H 1 7.436 0.003 . 1 . . . A 6734 ARG HE . 19536 1 54 . 1 1 7 7 ARG C C 13 177.747 0.006 . 1 . . . A 6734 ARG C . 19536 1 55 . 1 1 7 7 ARG CA C 13 57.545 0.077 . 1 . . . A 6734 ARG CA . 19536 1 56 . 1 1 7 7 ARG CB C 13 30.374 0.086 . 1 . . . A 6734 ARG CB . 19536 1 57 . 1 1 7 7 ARG CG C 13 27.017 0.040 . 1 . . . A 6734 ARG CG . 19536 1 58 . 1 1 7 7 ARG CD C 13 43.391 0.044 . 1 . . . A 6734 ARG CD . 19536 1 59 . 1 1 7 7 ARG N N 15 121.227 0.066 . 1 . . . A 6734 ARG N . 19536 1 60 . 1 1 7 7 ARG NE N 15 84.725 0.023 . 1 . . . A 6734 ARG NE . 19536 1 61 . 1 1 8 8 GLN H H 1 8.578 0.006 . 1 . . . A 6735 GLN H . 19536 1 62 . 1 1 8 8 GLN HA H 1 3.723 0.004 . 1 . . . A 6735 GLN HA . 19536 1 63 . 1 1 8 8 GLN HB2 H 1 2.054 0.005 . 2 . . . A 6735 GLN HB2 . 19536 1 64 . 1 1 8 8 GLN HB3 H 1 2.085 0.009 . 2 . . . A 6735 GLN HB3 . 19536 1 65 . 1 1 8 8 GLN HG2 H 1 2.281 0.010 . 2 . . . A 6735 GLN HG2 . 19536 1 66 . 1 1 8 8 GLN HG3 H 1 2.349 0.010 . 2 . . . A 6735 GLN HG3 . 19536 1 67 . 1 1 8 8 GLN HE21 H 1 7.567 0.005 . 2 . . . A 6735 GLN HE21 . 19536 1 68 . 1 1 8 8 GLN HE22 H 1 6.677 0.001 . 2 . . . A 6735 GLN HE22 . 19536 1 69 . 1 1 8 8 GLN C C 13 178.123 0.006 . 1 . . . A 6735 GLN C . 19536 1 70 . 1 1 8 8 GLN CA C 13 60.097 0.062 . 1 . . . A 6735 GLN CA . 19536 1 71 . 1 1 8 8 GLN CB C 13 27.885 0.087 . 1 . . . A 6735 GLN CB . 19536 1 72 . 1 1 8 8 GLN CG C 13 34.062 0.034 . 1 . . . A 6735 GLN CG . 19536 1 73 . 1 1 8 8 GLN CD C 13 179.368 0.002 . 1 . . . A 6735 GLN CD . 19536 1 74 . 1 1 8 8 GLN N N 15 118.910 0.025 . 1 . . . A 6735 GLN N . 19536 1 75 . 1 1 8 8 GLN NE2 N 15 110.710 0.030 . 1 . . . A 6735 GLN NE2 . 19536 1 76 . 1 1 9 9 GLU H H 1 8.525 0.007 . 1 . . . A 6736 GLU H . 19536 1 77 . 1 1 9 9 GLU HA H 1 4.090 0.004 . 1 . . . A 6736 GLU HA . 19536 1 78 . 1 1 9 9 GLU HB2 H 1 2.075 0.009 . 2 . . . A 6736 GLU HB2 . 19536 1 79 . 1 1 9 9 GLU HB3 H 1 2.075 0.009 . 2 . . . A 6736 GLU HB3 . 19536 1 80 . 1 1 9 9 GLU HG2 H 1 2.356 0.009 . 2 . . . A 6736 GLU HG2 . 19536 1 81 . 1 1 9 9 GLU HG3 H 1 2.356 0.009 . 2 . . . A 6736 GLU HG3 . 19536 1 82 . 1 1 9 9 GLU C C 13 178.599 0.009 . 1 . . . A 6736 GLU C . 19536 1 83 . 1 1 9 9 GLU CA C 13 59.661 0.041 . 1 . . . A 6736 GLU CA . 19536 1 84 . 1 1 9 9 GLU CB C 13 28.807 0.024 . 1 . . . A 6736 GLU CB . 19536 1 85 . 1 1 9 9 GLU N N 15 119.780 0.041 . 1 . . . A 6736 GLU N . 19536 1 86 . 1 1 10 10 GLU H H 1 7.944 0.004 . 1 . . . A 6737 GLU H . 19536 1 87 . 1 1 10 10 GLU HA H 1 4.129 0.006 . 1 . . . A 6737 GLU HA . 19536 1 88 . 1 1 10 10 GLU HB2 H 1 2.218 0.013 . 2 . . . A 6737 GLU HB2 . 19536 1 89 . 1 1 10 10 GLU HB3 H 1 2.218 0.013 . 2 . . . A 6737 GLU HB3 . 19536 1 90 . 1 1 10 10 GLU HG2 H 1 2.264 0.008 . 2 . . . A 6737 GLU HG2 . 19536 1 91 . 1 1 10 10 GLU HG3 H 1 2.452 0.010 . 2 . . . A 6737 GLU HG3 . 19536 1 92 . 1 1 10 10 GLU C C 13 179.340 0.000 . 1 . . . A 6737 GLU C . 19536 1 93 . 1 1 10 10 GLU CA C 13 59.235 0.045 . 1 . . . A 6737 GLU CA . 19536 1 94 . 1 1 10 10 GLU CB C 13 29.863 0.088 . 1 . . . A 6737 GLU CB . 19536 1 95 . 1 1 10 10 GLU CG C 13 36.130 0.039 . 1 . . . A 6737 GLU CG . 19536 1 96 . 1 1 10 10 GLU N N 15 121.126 0.030 . 1 . . . A 6737 GLU N . 19536 1 97 . 1 1 11 11 ILE H H 1 8.131 0.005 . 1 . . . A 6738 ILE H . 19536 1 98 . 1 1 11 11 ILE HA H 1 3.998 0.006 . 1 . . . A 6738 ILE HA . 19536 1 99 . 1 1 11 11 ILE HB H 1 1.667 0.008 . 1 . . . A 6738 ILE HB . 19536 1 100 . 1 1 11 11 ILE HG12 H 1 0.817 0.006 . 2 . . . A 6738 ILE HG12 . 19536 1 101 . 1 1 11 11 ILE HG13 H 1 1.605 0.010 . 2 . . . A 6738 ILE HG13 . 19536 1 102 . 1 1 11 11 ILE HG21 H 1 0.600 0.005 . 1 . . . A 6738 ILE HG21 . 19536 1 103 . 1 1 11 11 ILE HG22 H 1 0.600 0.005 . 1 . . . A 6738 ILE HG22 . 19536 1 104 . 1 1 11 11 ILE HG23 H 1 0.600 0.005 . 1 . . . A 6738 ILE HG23 . 19536 1 105 . 1 1 11 11 ILE HD11 H 1 0.488 0.005 . 1 . . . A 6738 ILE HD11 . 19536 1 106 . 1 1 11 11 ILE HD12 H 1 0.488 0.005 . 1 . . . A 6738 ILE HD12 . 19536 1 107 . 1 1 11 11 ILE HD13 H 1 0.488 0.005 . 1 . . . A 6738 ILE HD13 . 19536 1 108 . 1 1 11 11 ILE C C 13 177.855 0.006 . 1 . . . A 6738 ILE C . 19536 1 109 . 1 1 11 11 ILE CA C 13 64.374 0.089 . 1 . . . A 6738 ILE CA . 19536 1 110 . 1 1 11 11 ILE CB C 13 38.055 0.029 . 1 . . . A 6738 ILE CB . 19536 1 111 . 1 1 11 11 ILE CG1 C 13 28.900 0.093 . 1 . . . A 6738 ILE CG1 . 19536 1 112 . 1 1 11 11 ILE CG2 C 13 17.263 0.027 . 1 . . . A 6738 ILE CG2 . 19536 1 113 . 1 1 11 11 ILE CD1 C 13 13.735 0.048 . 1 . . . A 6738 ILE CD1 . 19536 1 114 . 1 1 11 11 ILE N N 15 120.612 0.058 . 1 . . . A 6738 ILE N . 19536 1 115 . 1 1 12 12 ALA H H 1 8.256 0.005 . 1 . . . A 6739 ALA H . 19536 1 116 . 1 1 12 12 ALA HA H 1 3.886 0.006 . 1 . . . A 6739 ALA HA . 19536 1 117 . 1 1 12 12 ALA HB1 H 1 1.518 0.004 . 1 . . . A 6739 ALA HB1 . 19536 1 118 . 1 1 12 12 ALA HB2 H 1 1.518 0.004 . 1 . . . A 6739 ALA HB2 . 19536 1 119 . 1 1 12 12 ALA HB3 H 1 1.518 0.004 . 1 . . . A 6739 ALA HB3 . 19536 1 120 . 1 1 12 12 ALA C C 13 180.671 0.025 . 1 . . . A 6739 ALA C . 19536 1 121 . 1 1 12 12 ALA CA C 13 56.164 0.075 . 1 . . . A 6739 ALA CA . 19536 1 122 . 1 1 12 12 ALA CB C 13 17.685 0.088 . 1 . . . A 6739 ALA CB . 19536 1 123 . 1 1 12 12 ALA N N 15 121.626 0.033 . 1 . . . A 6739 ALA N . 19536 1 124 . 1 1 13 13 GLU H H 1 8.017 0.005 . 1 . . . A 6740 GLU H . 19536 1 125 . 1 1 13 13 GLU HA H 1 4.125 0.005 . 1 . . . A 6740 GLU HA . 19536 1 126 . 1 1 13 13 GLU HB2 H 1 2.201 0.015 . 2 . . . A 6740 GLU HB2 . 19536 1 127 . 1 1 13 13 GLU HB3 H 1 2.201 0.015 . 2 . . . A 6740 GLU HB3 . 19536 1 128 . 1 1 13 13 GLU HG2 H 1 2.349 0.010 . 2 . . . A 6740 GLU HG2 . 19536 1 129 . 1 1 13 13 GLU HG3 H 1 2.527 0.005 . 2 . . . A 6740 GLU HG3 . 19536 1 130 . 1 1 13 13 GLU C C 13 179.019 0.006 . 1 . . . A 6740 GLU C . 19536 1 131 . 1 1 13 13 GLU CA C 13 59.389 0.033 . 1 . . . A 6740 GLU CA . 19536 1 132 . 1 1 13 13 GLU CB C 13 29.406 0.081 . 1 . . . A 6740 GLU CB . 19536 1 133 . 1 1 13 13 GLU CG C 13 35.969 0.153 . 1 . . . A 6740 GLU CG . 19536 1 134 . 1 1 13 13 GLU N N 15 118.505 0.019 . 1 . . . A 6740 GLU N . 19536 1 135 . 1 1 14 14 GLU H H 1 8.180 0.004 . 1 . . . A 6741 GLU H . 19536 1 136 . 1 1 14 14 GLU HA H 1 4.393 0.006 . 1 . . . A 6741 GLU HA . 19536 1 137 . 1 1 14 14 GLU HB2 H 1 2.328 0.007 . 2 . . . A 6741 GLU HB2 . 19536 1 138 . 1 1 14 14 GLU HB3 H 1 2.409 0.006 . 2 . . . A 6741 GLU HB3 . 19536 1 139 . 1 1 14 14 GLU HG2 H 1 2.380 0.010 . 2 . . . A 6741 GLU HG2 . 19536 1 140 . 1 1 14 14 GLU HG3 H 1 2.536 0.006 . 2 . . . A 6741 GLU HG3 . 19536 1 141 . 1 1 14 14 GLU C C 13 179.352 0.014 . 1 . . . A 6741 GLU C . 19536 1 142 . 1 1 14 14 GLU CA C 13 58.988 0.111 . 1 . . . A 6741 GLU CA . 19536 1 143 . 1 1 14 14 GLU CB C 13 29.411 0.073 . 1 . . . A 6741 GLU CB . 19536 1 144 . 1 1 14 14 GLU CG C 13 34.688 0.077 . 1 . . . A 6741 GLU CG . 19536 1 145 . 1 1 14 14 GLU N N 15 121.993 0.020 . 1 . . . A 6741 GLU N . 19536 1 146 . 1 1 15 15 VAL H H 1 9.250 0.002 . 1 . . . A 6742 VAL H . 19536 1 147 . 1 1 15 15 VAL HA H 1 3.775 0.004 . 1 . . . A 6742 VAL HA . 19536 1 148 . 1 1 15 15 VAL HB H 1 2.441 0.005 . 1 . . . A 6742 VAL HB . 19536 1 149 . 1 1 15 15 VAL HG11 H 1 1.375 0.004 . 2 . . . A 6742 VAL HG11 . 19536 1 150 . 1 1 15 15 VAL HG12 H 1 1.375 0.004 . 2 . . . A 6742 VAL HG12 . 19536 1 151 . 1 1 15 15 VAL HG13 H 1 1.375 0.004 . 2 . . . A 6742 VAL HG13 . 19536 1 152 . 1 1 15 15 VAL HG21 H 1 1.255 0.003 . 2 . . . A 6742 VAL HG21 . 19536 1 153 . 1 1 15 15 VAL HG22 H 1 1.255 0.003 . 2 . . . A 6742 VAL HG22 . 19536 1 154 . 1 1 15 15 VAL HG23 H 1 1.255 0.003 . 2 . . . A 6742 VAL HG23 . 19536 1 155 . 1 1 15 15 VAL C C 13 177.519 0.006 . 1 . . . A 6742 VAL C . 19536 1 156 . 1 1 15 15 VAL CA C 13 67.931 0.082 . 1 . . . A 6742 VAL CA . 19536 1 157 . 1 1 15 15 VAL CB C 13 31.517 0.046 . 1 . . . A 6742 VAL CB . 19536 1 158 . 1 1 15 15 VAL CG1 C 13 21.749 0.046 . 1 . . . A 6742 VAL CG1 . 19536 1 159 . 1 1 15 15 VAL CG2 C 13 24.812 0.029 . 1 . . . A 6742 VAL CG2 . 19536 1 160 . 1 1 15 15 VAL N N 15 119.767 0.017 . 1 . . . A 6742 VAL N . 19536 1 161 . 1 1 16 16 ALA H H 1 7.930 0.005 . 1 . . . A 6743 ALA H . 19536 1 162 . 1 1 16 16 ALA HA H 1 3.982 0.004 . 1 . . . A 6743 ALA HA . 19536 1 163 . 1 1 16 16 ALA HB1 H 1 1.576 0.008 . 1 . . . A 6743 ALA HB1 . 19536 1 164 . 1 1 16 16 ALA HB2 H 1 1.576 0.008 . 1 . . . A 6743 ALA HB2 . 19536 1 165 . 1 1 16 16 ALA HB3 H 1 1.576 0.008 . 1 . . . A 6743 ALA HB3 . 19536 1 166 . 1 1 16 16 ALA C C 13 179.274 0.012 . 1 . . . A 6743 ALA C . 19536 1 167 . 1 1 16 16 ALA CA C 13 55.894 0.067 . 1 . . . A 6743 ALA CA . 19536 1 168 . 1 1 16 16 ALA CB C 13 17.881 0.117 . 1 . . . A 6743 ALA CB . 19536 1 169 . 1 1 16 16 ALA N N 15 120.934 0.020 . 1 . . . A 6743 ALA N . 19536 1 170 . 1 1 17 17 ARG H H 1 8.132 0.003 . 1 . . . A 6744 ARG H . 19536 1 171 . 1 1 17 17 ARG HA H 1 3.922 0.007 . 1 . . . A 6744 ARG HA . 19536 1 172 . 1 1 17 17 ARG HB2 H 1 2.072 0.008 . 2 . . . A 6744 ARG HB2 . 19536 1 173 . 1 1 17 17 ARG HB3 H 1 2.072 0.008 . 2 . . . A 6744 ARG HB3 . 19536 1 174 . 1 1 17 17 ARG HG2 H 1 1.552 0.008 . 2 . . . A 6744 ARG HG2 . 19536 1 175 . 1 1 17 17 ARG HG3 H 1 1.799 0.007 . 2 . . . A 6744 ARG HG3 . 19536 1 176 . 1 1 17 17 ARG HD2 H 1 3.225 0.009 . 2 . . . A 6744 ARG HD2 . 19536 1 177 . 1 1 17 17 ARG HD3 H 1 3.316 0.007 . 2 . . . A 6744 ARG HD3 . 19536 1 178 . 1 1 17 17 ARG HE H 1 7.902 0.003 . 1 . . . A 6744 ARG HE . 19536 1 179 . 1 1 17 17 ARG C C 13 180.303 0.006 . 1 . . . A 6744 ARG C . 19536 1 180 . 1 1 17 17 ARG CA C 13 60.450 0.087 . 1 . . . A 6744 ARG CA . 19536 1 181 . 1 1 17 17 ARG CB C 13 30.537 0.089 . 1 . . . A 6744 ARG CB . 19536 1 182 . 1 1 17 17 ARG CG C 13 28.403 0.099 . 1 . . . A 6744 ARG CG . 19536 1 183 . 1 1 17 17 ARG CD C 13 43.245 0.045 . 1 . . . A 6744 ARG CD . 19536 1 184 . 1 1 17 17 ARG N N 15 119.231 0.022 . 1 . . . A 6744 ARG N . 19536 1 185 . 1 1 17 17 ARG NE N 15 83.545 0.032 . 1 . . . A 6744 ARG NE . 19536 1 186 . 1 1 18 18 LEU H H 1 8.873 0.002 . 1 . . . A 6745 LEU H . 19536 1 187 . 1 1 18 18 LEU HA H 1 4.224 0.005 . 1 . . . A 6745 LEU HA . 19536 1 188 . 1 1 18 18 LEU HB2 H 1 1.412 0.005 . 2 . . . A 6745 LEU HB2 . 19536 1 189 . 1 1 18 18 LEU HB3 H 1 2.311 0.006 . 2 . . . A 6745 LEU HB3 . 19536 1 190 . 1 1 18 18 LEU HG H 1 2.123 0.008 . 1 . . . A 6745 LEU HG . 19536 1 191 . 1 1 18 18 LEU HD11 H 1 0.898 0.010 . 2 . . . A 6745 LEU HD11 . 19536 1 192 . 1 1 18 18 LEU HD12 H 1 0.898 0.010 . 2 . . . A 6745 LEU HD12 . 19536 1 193 . 1 1 18 18 LEU HD13 H 1 0.898 0.010 . 2 . . . A 6745 LEU HD13 . 19536 1 194 . 1 1 18 18 LEU HD21 H 1 0.847 0.007 . 2 . . . A 6745 LEU HD21 . 19536 1 195 . 1 1 18 18 LEU HD22 H 1 0.847 0.007 . 2 . . . A 6745 LEU HD22 . 19536 1 196 . 1 1 18 18 LEU HD23 H 1 0.847 0.007 . 2 . . . A 6745 LEU HD23 . 19536 1 197 . 1 1 18 18 LEU C C 13 180.591 0.007 . 1 . . . A 6745 LEU C . 19536 1 198 . 1 1 18 18 LEU CA C 13 57.465 0.097 . 1 . . . A 6745 LEU CA . 19536 1 199 . 1 1 18 18 LEU CB C 13 42.408 0.063 . 1 . . . A 6745 LEU CB . 19536 1 200 . 1 1 18 18 LEU CG C 13 26.648 0.100 . 1 . . . A 6745 LEU CG . 19536 1 201 . 1 1 18 18 LEU CD1 C 13 22.685 0.080 . 1 . . . A 6745 LEU CD1 . 19536 1 202 . 1 1 18 18 LEU CD2 C 13 25.957 0.097 . 1 . . . A 6745 LEU CD2 . 19536 1 203 . 1 1 18 18 LEU N N 15 121.256 0.016 . 1 . . . A 6745 LEU N . 19536 1 204 . 1 1 19 19 LEU H H 1 8.594 0.005 . 1 . . . A 6746 LEU H . 19536 1 205 . 1 1 19 19 LEU HA H 1 3.985 0.003 . 1 . . . A 6746 LEU HA . 19536 1 206 . 1 1 19 19 LEU HB2 H 1 0.965 0.006 . 2 . . . A 6746 LEU HB2 . 19536 1 207 . 1 1 19 19 LEU HB3 H 1 1.347 0.009 . 2 . . . A 6746 LEU HB3 . 19536 1 208 . 1 1 19 19 LEU HG H 1 1.156 0.008 . 1 . . . A 6746 LEU HG . 19536 1 209 . 1 1 19 19 LEU HD11 H 1 -0.253 0.002 . 2 . . . A 6746 LEU HD11 . 19536 1 210 . 1 1 19 19 LEU HD12 H 1 -0.253 0.002 . 2 . . . A 6746 LEU HD12 . 19536 1 211 . 1 1 19 19 LEU HD13 H 1 -0.253 0.002 . 2 . . . A 6746 LEU HD13 . 19536 1 212 . 1 1 19 19 LEU HD21 H 1 0.501 0.006 . 2 . . . A 6746 LEU HD21 . 19536 1 213 . 1 1 19 19 LEU HD22 H 1 0.501 0.006 . 2 . . . A 6746 LEU HD22 . 19536 1 214 . 1 1 19 19 LEU HD23 H 1 0.501 0.006 . 2 . . . A 6746 LEU HD23 . 19536 1 215 . 1 1 19 19 LEU C C 13 178.001 0.007 . 1 . . . A 6746 LEU C . 19536 1 216 . 1 1 19 19 LEU CA C 13 56.980 0.147 . 1 . . . A 6746 LEU CA . 19536 1 217 . 1 1 19 19 LEU CB C 13 40.493 0.117 . 1 . . . A 6746 LEU CB . 19536 1 218 . 1 1 19 19 LEU CG C 13 27.278 0.045 . 1 . . . A 6746 LEU CG . 19536 1 219 . 1 1 19 19 LEU CD1 C 13 22.669 0.041 . 1 . . . A 6746 LEU CD1 . 19536 1 220 . 1 1 19 19 LEU CD2 C 13 25.324 0.042 . 1 . . . A 6746 LEU CD2 . 19536 1 221 . 1 1 19 19 LEU N N 15 120.840 0.026 . 1 . . . A 6746 LEU N . 19536 1 222 . 1 1 20 20 ALA H H 1 8.633 0.003 . 1 . . . A 6747 ALA H . 19536 1 223 . 1 1 20 20 ALA HA H 1 3.757 0.005 . 1 . . . A 6747 ALA HA . 19536 1 224 . 1 1 20 20 ALA HB1 H 1 1.480 0.005 . 1 . . . A 6747 ALA HB1 . 19536 1 225 . 1 1 20 20 ALA HB2 H 1 1.480 0.005 . 1 . . . A 6747 ALA HB2 . 19536 1 226 . 1 1 20 20 ALA HB3 H 1 1.480 0.005 . 1 . . . A 6747 ALA HB3 . 19536 1 227 . 1 1 20 20 ALA C C 13 179.551 0.000 . 1 . . . A 6747 ALA C . 19536 1 228 . 1 1 20 20 ALA CA C 13 55.763 0.040 . 1 . . . A 6747 ALA CA . 19536 1 229 . 1 1 20 20 ALA CB C 13 17.208 0.035 . 1 . . . A 6747 ALA CB . 19536 1 230 . 1 1 20 20 ALA N N 15 121.146 0.034 . 1 . . . A 6747 ALA N . 19536 1 231 . 1 1 21 21 GLY H H 1 7.775 0.003 . 1 . . . A 6748 GLY H . 19536 1 232 . 1 1 21 21 GLY HA2 H 1 3.894 0.004 . 2 . . . A 6748 GLY HA2 . 19536 1 233 . 1 1 21 21 GLY HA3 H 1 3.894 0.004 . 2 . . . A 6748 GLY HA3 . 19536 1 234 . 1 1 21 21 GLY C C 13 176.576 0.003 . 1 . . . A 6748 GLY C . 19536 1 235 . 1 1 21 21 GLY CA C 13 46.730 0.081 . 1 . . . A 6748 GLY CA . 19536 1 236 . 1 1 21 21 GLY N N 15 102.382 0.025 . 1 . . . A 6748 GLY N . 19536 1 237 . 1 1 22 22 VAL H H 1 7.417 0.003 . 1 . . . A 6749 VAL H . 19536 1 238 . 1 1 22 22 VAL HA H 1 3.923 0.005 . 1 . . . A 6749 VAL HA . 19536 1 239 . 1 1 22 22 VAL HB H 1 2.309 0.006 . 1 . . . A 6749 VAL HB . 19536 1 240 . 1 1 22 22 VAL HG11 H 1 1.037 0.005 . 2 . . . A 6749 VAL HG11 . 19536 1 241 . 1 1 22 22 VAL HG12 H 1 1.037 0.005 . 2 . . . A 6749 VAL HG12 . 19536 1 242 . 1 1 22 22 VAL HG13 H 1 1.037 0.005 . 2 . . . A 6749 VAL HG13 . 19536 1 243 . 1 1 22 22 VAL HG21 H 1 1.129 0.006 . 2 . . . A 6749 VAL HG21 . 19536 1 244 . 1 1 22 22 VAL HG22 H 1 1.129 0.006 . 2 . . . A 6749 VAL HG22 . 19536 1 245 . 1 1 22 22 VAL HG23 H 1 1.129 0.006 . 2 . . . A 6749 VAL HG23 . 19536 1 246 . 1 1 22 22 VAL C C 13 176.496 0.004 . 1 . . . A 6749 VAL C . 19536 1 247 . 1 1 22 22 VAL CA C 13 64.484 0.062 . 1 . . . A 6749 VAL CA . 19536 1 248 . 1 1 22 22 VAL CB C 13 32.053 0.037 . 1 . . . A 6749 VAL CB . 19536 1 249 . 1 1 22 22 VAL CG1 C 13 22.118 0.085 . 1 . . . A 6749 VAL CG1 . 19536 1 250 . 1 1 22 22 VAL CG2 C 13 21.810 0.052 . 1 . . . A 6749 VAL CG2 . 19536 1 251 . 1 1 22 22 VAL N N 15 119.504 0.022 . 1 . . . A 6749 VAL N . 19536 1 252 . 1 1 23 23 LEU H H 1 7.575 0.005 . 1 . . . A 6750 LEU H . 19536 1 253 . 1 1 23 23 LEU HA H 1 4.250 0.007 . 1 . . . A 6750 LEU HA . 19536 1 254 . 1 1 23 23 LEU HB2 H 1 1.582 0.016 . 2 . . . A 6750 LEU HB2 . 19536 1 255 . 1 1 23 23 LEU HB3 H 1 1.582 0.016 . 2 . . . A 6750 LEU HB3 . 19536 1 256 . 1 1 23 23 LEU HG H 1 1.563 0.014 . 1 . . . A 6750 LEU HG . 19536 1 257 . 1 1 23 23 LEU HD11 H 1 0.682 0.005 . 2 . . . A 6750 LEU HD11 . 19536 1 258 . 1 1 23 23 LEU HD12 H 1 0.682 0.005 . 2 . . . A 6750 LEU HD12 . 19536 1 259 . 1 1 23 23 LEU HD13 H 1 0.682 0.005 . 2 . . . A 6750 LEU HD13 . 19536 1 260 . 1 1 23 23 LEU HD21 H 1 0.737 0.007 . 2 . . . A 6750 LEU HD21 . 19536 1 261 . 1 1 23 23 LEU HD22 H 1 0.737 0.007 . 2 . . . A 6750 LEU HD22 . 19536 1 262 . 1 1 23 23 LEU HD23 H 1 0.737 0.007 . 2 . . . A 6750 LEU HD23 . 19536 1 263 . 1 1 23 23 LEU C C 13 175.838 0.007 . 1 . . . A 6750 LEU C . 19536 1 264 . 1 1 23 23 LEU CA C 13 54.528 0.103 . 1 . . . A 6750 LEU CA . 19536 1 265 . 1 1 23 23 LEU CB C 13 43.264 0.062 . 1 . . . A 6750 LEU CB . 19536 1 266 . 1 1 23 23 LEU CG C 13 26.529 0.107 . 1 . . . A 6750 LEU CG . 19536 1 267 . 1 1 23 23 LEU CD1 C 13 26.116 0.100 . 1 . . . A 6750 LEU CD1 . 19536 1 268 . 1 1 23 23 LEU CD2 C 13 22.415 0.114 . 1 . . . A 6750 LEU CD2 . 19536 1 269 . 1 1 23 23 LEU N N 15 116.647 0.028 . 1 . . . A 6750 LEU N . 19536 1 270 . 1 1 24 24 TYR H H 1 7.622 0.003 . 1 . . . A 6751 TYR H . 19536 1 271 . 1 1 24 24 TYR HA H 1 4.092 0.004 . 1 . . . A 6751 TYR HA . 19536 1 272 . 1 1 24 24 TYR HB2 H 1 3.206 0.002 . 2 . . . A 6751 TYR HB2 . 19536 1 273 . 1 1 24 24 TYR HB3 H 1 3.206 0.002 . 2 . . . A 6751 TYR HB3 . 19536 1 274 . 1 1 24 24 TYR HD1 H 1 7.116 0.004 . 1 . . . A 6751 TYR HD1 . 19536 1 275 . 1 1 24 24 TYR HD2 H 1 7.116 0.004 . 1 . . . A 6751 TYR HD2 . 19536 1 276 . 1 1 24 24 TYR HE1 H 1 6.874 0.002 . 1 . . . A 6751 TYR HE1 . 19536 1 277 . 1 1 24 24 TYR HE2 H 1 6.874 0.002 . 1 . . . A 6751 TYR HE2 . 19536 1 278 . 1 1 24 24 TYR C C 13 175.010 0.006 . 1 . . . A 6751 TYR C . 19536 1 279 . 1 1 24 24 TYR CA C 13 59.336 0.082 . 1 . . . A 6751 TYR CA . 19536 1 280 . 1 1 24 24 TYR CB C 13 34.840 0.033 . 1 . . . A 6751 TYR CB . 19536 1 281 . 1 1 24 24 TYR CD1 C 13 133.338 0.019 . 1 . . . A 6751 TYR CD1 . 19536 1 282 . 1 1 24 24 TYR CD2 C 13 133.313 0.001 . 1 . . . A 6751 TYR CD2 . 19536 1 283 . 1 1 24 24 TYR CE1 C 13 118.283 0.024 . 1 . . . A 6751 TYR CE1 . 19536 1 284 . 1 1 24 24 TYR CE2 C 13 118.298 0.031 . 1 . . . A 6751 TYR CE2 . 19536 1 285 . 1 1 24 24 TYR N N 15 117.068 0.018 . 1 . . . A 6751 TYR N . 19536 1 286 . 1 1 25 25 LEU H H 1 8.163 0.004 . 1 . . . A 6752 LEU H . 19536 1 287 . 1 1 25 25 LEU HA H 1 4.679 0.003 . 1 . . . A 6752 LEU HA . 19536 1 288 . 1 1 25 25 LEU HB2 H 1 1.279 0.005 . 2 . . . A 6752 LEU HB2 . 19536 1 289 . 1 1 25 25 LEU HB3 H 1 1.494 0.006 . 2 . . . A 6752 LEU HB3 . 19536 1 290 . 1 1 25 25 LEU HG H 1 1.617 0.007 . 1 . . . A 6752 LEU HG . 19536 1 291 . 1 1 25 25 LEU HD11 H 1 0.849 0.011 . 2 . . . A 6752 LEU HD11 . 19536 1 292 . 1 1 25 25 LEU HD12 H 1 0.849 0.011 . 2 . . . A 6752 LEU HD12 . 19536 1 293 . 1 1 25 25 LEU HD13 H 1 0.849 0.011 . 2 . . . A 6752 LEU HD13 . 19536 1 294 . 1 1 25 25 LEU HD21 H 1 0.829 0.002 . 2 . . . A 6752 LEU HD21 . 19536 1 295 . 1 1 25 25 LEU HD22 H 1 0.829 0.002 . 2 . . . A 6752 LEU HD22 . 19536 1 296 . 1 1 25 25 LEU HD23 H 1 0.829 0.002 . 2 . . . A 6752 LEU HD23 . 19536 1 297 . 1 1 25 25 LEU C C 13 176.531 0.007 . 1 . . . A 6752 LEU C . 19536 1 298 . 1 1 25 25 LEU CA C 13 52.878 0.084 . 1 . . . A 6752 LEU CA . 19536 1 299 . 1 1 25 25 LEU CB C 13 45.956 0.033 . 1 . . . A 6752 LEU CB . 19536 1 300 . 1 1 25 25 LEU CG C 13 26.037 0.060 . 1 . . . A 6752 LEU CG . 19536 1 301 . 1 1 25 25 LEU CD1 C 13 23.723 0.091 . 1 . . . A 6752 LEU CD1 . 19536 1 302 . 1 1 25 25 LEU CD2 C 13 25.462 0.083 . 1 . . . A 6752 LEU CD2 . 19536 1 303 . 1 1 25 25 LEU N N 15 118.964 0.031 . 1 . . . A 6752 LEU N . 19536 1 304 . 1 1 26 26 GLU H H 1 8.313 0.002 . 1 . . . A 6753 GLU H . 19536 1 305 . 1 1 26 26 GLU HA H 1 4.520 0.005 . 1 . . . A 6753 GLU HA . 19536 1 306 . 1 1 26 26 GLU HB2 H 1 1.812 0.005 . 2 . . . A 6753 GLU HB2 . 19536 1 307 . 1 1 26 26 GLU HB3 H 1 2.142 0.007 . 2 . . . A 6753 GLU HB3 . 19536 1 308 . 1 1 26 26 GLU HG2 H 1 2.362 0.004 . 2 . . . A 6753 GLU HG2 . 19536 1 309 . 1 1 26 26 GLU HG3 H 1 2.362 0.004 . 2 . . . A 6753 GLU HG3 . 19536 1 310 . 1 1 26 26 GLU CA C 13 54.603 0.059 . 1 . . . A 6753 GLU CA . 19536 1 311 . 1 1 26 26 GLU CB C 13 29.221 0.063 . 1 . . . A 6753 GLU CB . 19536 1 312 . 1 1 26 26 GLU CG C 13 36.326 0.050 . 1 . . . A 6753 GLU CG . 19536 1 313 . 1 1 26 26 GLU N N 15 122.350 0.020 . 1 . . . A 6753 GLU N . 19536 1 314 . 1 1 27 27 PRO HA H 1 3.962 0.005 . 1 . . . A 6754 PRO HA . 19536 1 315 . 1 1 27 27 PRO HB2 H 1 2.033 0.006 . 2 . . . A 6754 PRO HB2 . 19536 1 316 . 1 1 27 27 PRO HB3 H 1 2.185 0.005 . 2 . . . A 6754 PRO HB3 . 19536 1 317 . 1 1 27 27 PRO HG2 H 1 1.965 0.007 . 2 . . . A 6754 PRO HG2 . 19536 1 318 . 1 1 27 27 PRO HG3 H 1 2.181 0.004 . 2 . . . A 6754 PRO HG3 . 19536 1 319 . 1 1 27 27 PRO HD2 H 1 3.853 0.007 . 2 . . . A 6754 PRO HD2 . 19536 1 320 . 1 1 27 27 PRO HD3 H 1 3.884 0.006 . 2 . . . A 6754 PRO HD3 . 19536 1 321 . 1 1 27 27 PRO C C 13 177.638 0.009 . 1 . . . A 6754 PRO C . 19536 1 322 . 1 1 27 27 PRO CA C 13 65.708 0.077 . 1 . . . A 6754 PRO CA . 19536 1 323 . 1 1 27 27 PRO CB C 13 31.663 0.049 . 1 . . . A 6754 PRO CB . 19536 1 324 . 1 1 27 27 PRO CG C 13 27.788 0.033 . 1 . . . A 6754 PRO CG . 19536 1 325 . 1 1 27 27 PRO CD C 13 50.505 0.068 . 1 . . . A 6754 PRO CD . 19536 1 326 . 1 1 28 28 ASP H H 1 8.413 0.003 . 1 . . . A 6755 ASP H . 19536 1 327 . 1 1 28 28 ASP HA H 1 4.464 0.003 . 1 . . . A 6755 ASP HA . 19536 1 328 . 1 1 28 28 ASP HB2 H 1 2.673 0.008 . 2 . . . A 6755 ASP HB2 . 19536 1 329 . 1 1 28 28 ASP HB3 H 1 2.726 0.010 . 2 . . . A 6755 ASP HB3 . 19536 1 330 . 1 1 28 28 ASP C C 13 176.725 0.009 . 1 . . . A 6755 ASP C . 19536 1 331 . 1 1 28 28 ASP CA C 13 55.172 0.089 . 1 . . . A 6755 ASP CA . 19536 1 332 . 1 1 28 28 ASP CB C 13 39.558 0.100 . 1 . . . A 6755 ASP CB . 19536 1 333 . 1 1 28 28 ASP N N 15 113.695 0.018 . 1 . . . A 6755 ASP N . 19536 1 334 . 1 1 29 29 ARG H H 1 7.896 0.005 . 1 . . . A 6756 ARG H . 19536 1 335 . 1 1 29 29 ARG HA H 1 4.375 0.006 . 1 . . . A 6756 ARG HA . 19536 1 336 . 1 1 29 29 ARG HB2 H 1 1.821 0.004 . 2 . . . A 6756 ARG HB2 . 19536 1 337 . 1 1 29 29 ARG HB3 H 1 2.079 0.009 . 2 . . . A 6756 ARG HB3 . 19536 1 338 . 1 1 29 29 ARG HG2 H 1 1.583 0.006 . 2 . . . A 6756 ARG HG2 . 19536 1 339 . 1 1 29 29 ARG HG3 H 1 1.712 0.005 . 2 . . . A 6756 ARG HG3 . 19536 1 340 . 1 1 29 29 ARG HD2 H 1 3.196 0.004 . 2 . . . A 6756 ARG HD2 . 19536 1 341 . 1 1 29 29 ARG HD3 H 1 3.196 0.004 . 2 . . . A 6756 ARG HD3 . 19536 1 342 . 1 1 29 29 ARG HE H 1 7.275 0.003 . 1 . . . A 6756 ARG HE . 19536 1 343 . 1 1 29 29 ARG C C 13 175.655 0.005 . 1 . . . A 6756 ARG C . 19536 1 344 . 1 1 29 29 ARG CA C 13 55.069 0.097 . 1 . . . A 6756 ARG CA . 19536 1 345 . 1 1 29 29 ARG CB C 13 30.492 0.107 . 1 . . . A 6756 ARG CB . 19536 1 346 . 1 1 29 29 ARG CG C 13 27.079 0.056 . 1 . . . A 6756 ARG CG . 19536 1 347 . 1 1 29 29 ARG CD C 13 43.028 0.066 . 1 . . . A 6756 ARG CD . 19536 1 348 . 1 1 29 29 ARG N N 15 117.227 0.019 . 1 . . . A 6756 ARG N . 19536 1 349 . 1 1 29 29 ARG NE N 15 84.807 0.021 . 1 . . . A 6756 ARG NE . 19536 1 350 . 1 1 30 30 LEU H H 1 7.312 0.004 . 1 . . . A 6757 LEU H . 19536 1 351 . 1 1 30 30 LEU HA H 1 4.173 0.005 . 1 . . . A 6757 LEU HA . 19536 1 352 . 1 1 30 30 LEU HB2 H 1 1.392 0.008 . 2 . . . A 6757 LEU HB2 . 19536 1 353 . 1 1 30 30 LEU HB3 H 1 1.723 0.006 . 2 . . . A 6757 LEU HB3 . 19536 1 354 . 1 1 30 30 LEU HG H 1 1.482 0.008 . 1 . . . A 6757 LEU HG . 19536 1 355 . 1 1 30 30 LEU HD11 H 1 0.734 0.005 . 2 . . . A 6757 LEU HD11 . 19536 1 356 . 1 1 30 30 LEU HD12 H 1 0.734 0.005 . 2 . . . A 6757 LEU HD12 . 19536 1 357 . 1 1 30 30 LEU HD13 H 1 0.734 0.005 . 2 . . . A 6757 LEU HD13 . 19536 1 358 . 1 1 30 30 LEU HD21 H 1 0.748 0.008 . 2 . . . A 6757 LEU HD21 . 19536 1 359 . 1 1 30 30 LEU HD22 H 1 0.748 0.008 . 2 . . . A 6757 LEU HD22 . 19536 1 360 . 1 1 30 30 LEU HD23 H 1 0.748 0.008 . 2 . . . A 6757 LEU HD23 . 19536 1 361 . 1 1 30 30 LEU C C 13 174.689 0.006 . 1 . . . A 6757 LEU C . 19536 1 362 . 1 1 30 30 LEU CA C 13 54.693 0.115 . 1 . . . A 6757 LEU CA . 19536 1 363 . 1 1 30 30 LEU CB C 13 42.861 0.104 . 1 . . . A 6757 LEU CB . 19536 1 364 . 1 1 30 30 LEU CG C 13 27.341 0.074 . 1 . . . A 6757 LEU CG . 19536 1 365 . 1 1 30 30 LEU CD1 C 13 25.108 0.060 . 1 . . . A 6757 LEU CD1 . 19536 1 366 . 1 1 30 30 LEU CD2 C 13 25.862 0.119 . 1 . . . A 6757 LEU CD2 . 19536 1 367 . 1 1 30 30 LEU N N 15 122.001 0.018 . 1 . . . A 6757 LEU N . 19536 1 368 . 1 1 31 31 ASP H H 1 8.206 0.004 . 1 . . . A 6758 ASP H . 19536 1 369 . 1 1 31 31 ASP HA H 1 4.958 0.003 . 1 . . . A 6758 ASP HA . 19536 1 370 . 1 1 31 31 ASP HB2 H 1 2.555 0.010 . 2 . . . A 6758 ASP HB2 . 19536 1 371 . 1 1 31 31 ASP HB3 H 1 2.958 0.004 . 2 . . . A 6758 ASP HB3 . 19536 1 372 . 1 1 31 31 ASP CA C 13 50.365 0.111 . 1 . . . A 6758 ASP CA . 19536 1 373 . 1 1 31 31 ASP CB C 13 41.497 0.061 . 1 . . . A 6758 ASP CB . 19536 1 374 . 1 1 31 31 ASP N N 15 127.839 0.020 . 1 . . . A 6758 ASP N . 19536 1 375 . 1 1 32 32 PRO HA H 1 4.070 0.007 . 1 . . . A 6759 PRO HA . 19536 1 376 . 1 1 32 32 PRO HB2 H 1 2.017 0.010 . 2 . . . A 6759 PRO HB2 . 19536 1 377 . 1 1 32 32 PRO HB3 H 1 2.083 0.005 . 2 . . . A 6759 PRO HB3 . 19536 1 378 . 1 1 32 32 PRO HG2 H 1 1.981 0.004 . 2 . . . A 6759 PRO HG2 . 19536 1 379 . 1 1 32 32 PRO HG3 H 1 1.981 0.004 . 2 . . . A 6759 PRO HG3 . 19536 1 380 . 1 1 32 32 PRO HD2 H 1 3.952 0.003 . 2 . . . A 6759 PRO HD2 . 19536 1 381 . 1 1 32 32 PRO HD3 H 1 4.116 0.005 . 2 . . . A 6759 PRO HD3 . 19536 1 382 . 1 1 32 32 PRO C C 13 175.573 0.009 . 1 . . . A 6759 PRO C . 19536 1 383 . 1 1 32 32 PRO CA C 13 63.390 0.091 . 1 . . . A 6759 PRO CA . 19536 1 384 . 1 1 32 32 PRO CB C 13 32.472 0.087 . 1 . . . A 6759 PRO CB . 19536 1 385 . 1 1 32 32 PRO CG C 13 27.189 0.082 . 1 . . . A 6759 PRO CG . 19536 1 386 . 1 1 32 32 PRO CD C 13 50.690 0.054 . 1 . . . A 6759 PRO CD . 19536 1 387 . 1 1 33 33 GLU H H 1 8.148 0.004 . 1 . . . A 6760 GLU H . 19536 1 388 . 1 1 33 33 GLU HA H 1 4.352 0.003 . 1 . . . A 6760 GLU HA . 19536 1 389 . 1 1 33 33 GLU HB2 H 1 1.861 0.005 . 2 . . . A 6760 GLU HB2 . 19536 1 390 . 1 1 33 33 GLU HB3 H 1 2.215 0.005 . 2 . . . A 6760 GLU HB3 . 19536 1 391 . 1 1 33 33 GLU HG2 H 1 2.068 0.006 . 2 . . . A 6760 GLU HG2 . 19536 1 392 . 1 1 33 33 GLU HG3 H 1 2.311 0.007 . 2 . . . A 6760 GLU HG3 . 19536 1 393 . 1 1 33 33 GLU C C 13 177.368 0.007 . 1 . . . A 6760 GLU C . 19536 1 394 . 1 1 33 33 GLU CA C 13 55.426 0.063 . 1 . . . A 6760 GLU CA . 19536 1 395 . 1 1 33 33 GLU CB C 13 29.251 0.075 . 1 . . . A 6760 GLU CB . 19536 1 396 . 1 1 33 33 GLU CG C 13 36.072 0.090 . 1 . . . A 6760 GLU CG . 19536 1 397 . 1 1 33 33 GLU N N 15 115.117 0.025 . 1 . . . A 6760 GLU N . 19536 1 398 . 1 1 34 34 GLU H H 1 7.418 0.004 . 1 . . . A 6761 GLU H . 19536 1 399 . 1 1 34 34 GLU HA H 1 4.360 0.007 . 1 . . . A 6761 GLU HA . 19536 1 400 . 1 1 34 34 GLU HB2 H 1 1.936 0.007 . 2 . . . A 6761 GLU HB2 . 19536 1 401 . 1 1 34 34 GLU HB3 H 1 1.936 0.007 . 2 . . . A 6761 GLU HB3 . 19536 1 402 . 1 1 34 34 GLU HG2 H 1 2.261 0.006 . 2 . . . A 6761 GLU HG2 . 19536 1 403 . 1 1 34 34 GLU HG3 H 1 2.484 0.005 . 2 . . . A 6761 GLU HG3 . 19536 1 404 . 1 1 34 34 GLU C C 13 174.572 0.006 . 1 . . . A 6761 GLU C . 19536 1 405 . 1 1 34 34 GLU CA C 13 55.217 0.077 . 1 . . . A 6761 GLU CA . 19536 1 406 . 1 1 34 34 GLU CB C 13 30.476 0.076 . 1 . . . A 6761 GLU CB . 19536 1 407 . 1 1 34 34 GLU CG C 13 36.103 0.047 . 1 . . . A 6761 GLU CG . 19536 1 408 . 1 1 34 34 GLU N N 15 121.512 0.018 . 1 . . . A 6761 GLU N . 19536 1 409 . 1 1 35 35 THR H H 1 8.521 0.004 . 1 . . . A 6762 THR H . 19536 1 410 . 1 1 35 35 THR HA H 1 4.555 0.006 . 1 . . . A 6762 THR HA . 19536 1 411 . 1 1 35 35 THR HB H 1 4.850 0.006 . 1 . . . A 6762 THR HB . 19536 1 412 . 1 1 35 35 THR HG21 H 1 1.308 0.006 . 1 . . . A 6762 THR HG21 . 19536 1 413 . 1 1 35 35 THR HG22 H 1 1.308 0.006 . 1 . . . A 6762 THR HG22 . 19536 1 414 . 1 1 35 35 THR HG23 H 1 1.308 0.006 . 1 . . . A 6762 THR HG23 . 19536 1 415 . 1 1 35 35 THR C C 13 176.578 0.004 . 1 . . . A 6762 THR C . 19536 1 416 . 1 1 35 35 THR CA C 13 60.522 0.071 . 1 . . . A 6762 THR CA . 19536 1 417 . 1 1 35 35 THR CB C 13 70.529 0.077 . 1 . . . A 6762 THR CB . 19536 1 418 . 1 1 35 35 THR CG2 C 13 22.003 0.071 . 1 . . . A 6762 THR CG2 . 19536 1 419 . 1 1 35 35 THR N N 15 107.946 0.020 . 1 . . . A 6762 THR N . 19536 1 420 . 1 1 36 36 PHE H H 1 8.141 0.004 . 1 . . . A 6763 PHE H . 19536 1 421 . 1 1 36 36 PHE HA H 1 4.013 0.005 . 1 . . . A 6763 PHE HA . 19536 1 422 . 1 1 36 36 PHE HB2 H 1 2.932 0.009 . 2 . . . A 6763 PHE HB2 . 19536 1 423 . 1 1 36 36 PHE HB3 H 1 2.987 0.008 . 2 . . . A 6763 PHE HB3 . 19536 1 424 . 1 1 36 36 PHE HD1 H 1 7.034 0.005 . 1 . . . A 6763 PHE HD1 . 19536 1 425 . 1 1 36 36 PHE HD2 H 1 7.034 0.005 . 1 . . . A 6763 PHE HD2 . 19536 1 426 . 1 1 36 36 PHE HE1 H 1 7.291 0.006 . 1 . . . A 6763 PHE HE1 . 19536 1 427 . 1 1 36 36 PHE HE2 H 1 7.291 0.006 . 1 . . . A 6763 PHE HE2 . 19536 1 428 . 1 1 36 36 PHE HZ H 1 6.671 0.005 . 1 . . . A 6763 PHE HZ . 19536 1 429 . 1 1 36 36 PHE C C 13 177.996 0.005 . 1 . . . A 6763 PHE C . 19536 1 430 . 1 1 36 36 PHE CA C 13 62.525 0.092 . 1 . . . A 6763 PHE CA . 19536 1 431 . 1 1 36 36 PHE CB C 13 38.034 0.071 . 1 . . . A 6763 PHE CB . 19536 1 432 . 1 1 36 36 PHE CD1 C 13 130.842 0.095 . 1 . . . A 6763 PHE CD1 . 19536 1 433 . 1 1 36 36 PHE CD2 C 13 130.771 0.000 . 1 . . . A 6763 PHE CD2 . 19536 1 434 . 1 1 36 36 PHE CE1 C 13 131.930 0.005 . 1 . . . A 6763 PHE CE1 . 19536 1 435 . 1 1 36 36 PHE CE2 C 13 131.809 0.077 . 1 . . . A 6763 PHE CE2 . 19536 1 436 . 1 1 36 36 PHE CZ C 13 128.381 0.040 . 1 . . . A 6763 PHE CZ . 19536 1 437 . 1 1 36 36 PHE N N 15 117.739 0.041 . 1 . . . A 6763 PHE N . 19536 1 438 . 1 1 37 37 LEU H H 1 8.068 0.006 . 1 . . . A 6764 LEU H . 19536 1 439 . 1 1 37 37 LEU HA H 1 4.154 0.005 . 1 . . . A 6764 LEU HA . 19536 1 440 . 1 1 37 37 LEU HB2 H 1 1.626 0.003 . 2 . . . A 6764 LEU HB2 . 19536 1 441 . 1 1 37 37 LEU HB3 H 1 1.727 0.008 . 2 . . . A 6764 LEU HB3 . 19536 1 442 . 1 1 37 37 LEU HG H 1 1.626 0.000 . 1 . . . A 6764 LEU HG . 19536 1 443 . 1 1 37 37 LEU HD11 H 1 0.937 0.010 . 2 . . . A 6764 LEU HD11 . 19536 1 444 . 1 1 37 37 LEU HD12 H 1 0.937 0.010 . 2 . . . A 6764 LEU HD12 . 19536 1 445 . 1 1 37 37 LEU HD13 H 1 0.937 0.010 . 2 . . . A 6764 LEU HD13 . 19536 1 446 . 1 1 37 37 LEU HD21 H 1 0.995 0.009 . 2 . . . A 6764 LEU HD21 . 19536 1 447 . 1 1 37 37 LEU HD22 H 1 0.995 0.009 . 2 . . . A 6764 LEU HD22 . 19536 1 448 . 1 1 37 37 LEU HD23 H 1 0.995 0.009 . 2 . . . A 6764 LEU HD23 . 19536 1 449 . 1 1 37 37 LEU C C 13 180.857 0.115 . 1 . . . A 6764 LEU C . 19536 1 450 . 1 1 37 37 LEU CA C 13 58.347 0.115 . 1 . . . A 6764 LEU CA . 19536 1 451 . 1 1 37 37 LEU CB C 13 41.861 0.084 . 1 . . . A 6764 LEU CB . 19536 1 452 . 1 1 37 37 LEU CG C 13 27.339 0.000 . 1 . . . A 6764 LEU CG . 19536 1 453 . 1 1 37 37 LEU CD1 C 13 23.799 0.082 . 1 . . . A 6764 LEU CD1 . 19536 1 454 . 1 1 37 37 LEU CD2 C 13 24.732 0.050 . 1 . . . A 6764 LEU CD2 . 19536 1 455 . 1 1 37 37 LEU N N 15 116.964 0.025 . 1 . . . A 6764 LEU N . 19536 1 456 . 1 1 38 38 THR H H 1 8.153 0.005 . 1 . . . A 6765 THR H . 19536 1 457 . 1 1 38 38 THR HA H 1 3.874 0.004 . 1 . . . A 6765 THR HA . 19536 1 458 . 1 1 38 38 THR HB H 1 4.339 0.004 . 1 . . . A 6765 THR HB . 19536 1 459 . 1 1 38 38 THR HG21 H 1 1.200 0.005 . 1 . . . A 6765 THR HG21 . 19536 1 460 . 1 1 38 38 THR HG22 H 1 1.200 0.005 . 1 . . . A 6765 THR HG22 . 19536 1 461 . 1 1 38 38 THR HG23 H 1 1.200 0.005 . 1 . . . A 6765 THR HG23 . 19536 1 462 . 1 1 38 38 THR C C 13 176.491 0.005 . 1 . . . A 6765 THR C . 19536 1 463 . 1 1 38 38 THR CA C 13 66.414 0.083 . 1 . . . A 6765 THR CA . 19536 1 464 . 1 1 38 38 THR CB C 13 68.219 0.062 . 1 . . . A 6765 THR CB . 19536 1 465 . 1 1 38 38 THR CG2 C 13 22.380 0.047 . 1 . . . A 6765 THR CG2 . 19536 1 466 . 1 1 38 38 THR N N 15 120.359 0.029 . 1 . . . A 6765 THR N . 19536 1 467 . 1 1 39 39 LEU H H 1 8.110 0.003 . 1 . . . A 6766 LEU H . 19536 1 468 . 1 1 39 39 LEU HA H 1 4.058 0.007 . 1 . . . A 6766 LEU HA . 19536 1 469 . 1 1 39 39 LEU HB2 H 1 1.372 0.007 . 2 . . . A 6766 LEU HB2 . 19536 1 470 . 1 1 39 39 LEU HB3 H 1 1.886 0.006 . 2 . . . A 6766 LEU HB3 . 19536 1 471 . 1 1 39 39 LEU HG H 1 1.589 0.009 . 1 . . . A 6766 LEU HG . 19536 1 472 . 1 1 39 39 LEU HD11 H 1 0.822 0.006 . 2 . . . A 6766 LEU HD11 . 19536 1 473 . 1 1 39 39 LEU HD12 H 1 0.822 0.006 . 2 . . . A 6766 LEU HD12 . 19536 1 474 . 1 1 39 39 LEU HD13 H 1 0.822 0.006 . 2 . . . A 6766 LEU HD13 . 19536 1 475 . 1 1 39 39 LEU HD21 H 1 0.483 0.006 . 2 . . . A 6766 LEU HD21 . 19536 1 476 . 1 1 39 39 LEU HD22 H 1 0.483 0.006 . 2 . . . A 6766 LEU HD22 . 19536 1 477 . 1 1 39 39 LEU HD23 H 1 0.483 0.006 . 2 . . . A 6766 LEU HD23 . 19536 1 478 . 1 1 39 39 LEU C C 13 175.999 0.007 . 1 . . . A 6766 LEU C . 19536 1 479 . 1 1 39 39 LEU CA C 13 56.238 0.083 . 1 . . . A 6766 LEU CA . 19536 1 480 . 1 1 39 39 LEU CB C 13 42.908 0.043 . 1 . . . A 6766 LEU CB . 19536 1 481 . 1 1 39 39 LEU CG C 13 26.356 0.080 . 1 . . . A 6766 LEU CG . 19536 1 482 . 1 1 39 39 LEU CD1 C 13 22.948 0.104 . 1 . . . A 6766 LEU CD1 . 19536 1 483 . 1 1 39 39 LEU CD2 C 13 26.292 0.072 . 1 . . . A 6766 LEU CD2 . 19536 1 484 . 1 1 39 39 LEU N N 15 120.860 0.039 . 1 . . . A 6766 LEU N . 19536 1 485 . 1 1 40 40 GLY H H 1 7.537 0.005 . 1 . . . A 6767 GLY H . 19536 1 486 . 1 1 40 40 GLY HA2 H 1 3.670 0.010 . 2 . . . A 6767 GLY HA2 . 19536 1 487 . 1 1 40 40 GLY HA3 H 1 4.272 0.009 . 2 . . . A 6767 GLY HA3 . 19536 1 488 . 1 1 40 40 GLY C C 13 174.746 0.001 . 1 . . . A 6767 GLY C . 19536 1 489 . 1 1 40 40 GLY CA C 13 44.951 0.035 . 1 . . . A 6767 GLY CA . 19536 1 490 . 1 1 40 40 GLY N N 15 103.550 0.018 . 1 . . . A 6767 GLY N . 19536 1 491 . 1 1 41 41 VAL H H 1 8.122 0.007 . 1 . . . A 6768 VAL H . 19536 1 492 . 1 1 41 41 VAL HA H 1 3.620 0.004 . 1 . . . A 6768 VAL HA . 19536 1 493 . 1 1 41 41 VAL HB H 1 2.020 0.008 . 1 . . . A 6768 VAL HB . 19536 1 494 . 1 1 41 41 VAL HG11 H 1 0.589 0.005 . 2 . . . A 6768 VAL HG11 . 19536 1 495 . 1 1 41 41 VAL HG12 H 1 0.589 0.005 . 2 . . . A 6768 VAL HG12 . 19536 1 496 . 1 1 41 41 VAL HG13 H 1 0.589 0.005 . 2 . . . A 6768 VAL HG13 . 19536 1 497 . 1 1 41 41 VAL HG21 H 1 0.851 0.006 . 2 . . . A 6768 VAL HG21 . 19536 1 498 . 1 1 41 41 VAL HG22 H 1 0.851 0.006 . 2 . . . A 6768 VAL HG22 . 19536 1 499 . 1 1 41 41 VAL HG23 H 1 0.851 0.006 . 2 . . . A 6768 VAL HG23 . 19536 1 500 . 1 1 41 41 VAL C C 13 173.725 0.005 . 1 . . . A 6768 VAL C . 19536 1 501 . 1 1 41 41 VAL CA C 13 63.535 0.055 . 1 . . . A 6768 VAL CA . 19536 1 502 . 1 1 41 41 VAL CB C 13 30.460 0.111 . 1 . . . A 6768 VAL CB . 19536 1 503 . 1 1 41 41 VAL CG1 C 13 21.276 0.068 . 1 . . . A 6768 VAL CG1 . 19536 1 504 . 1 1 41 41 VAL CG2 C 13 23.142 0.070 . 1 . . . A 6768 VAL CG2 . 19536 1 505 . 1 1 41 41 VAL N N 15 121.033 0.045 . 1 . . . A 6768 VAL N . 19536 1 506 . 1 1 42 42 ASP H H 1 7.187 0.003 . 1 . . . A 6769 ASP H . 19536 1 507 . 1 1 42 42 ASP HA H 1 4.694 0.003 . 1 . . . A 6769 ASP HA . 19536 1 508 . 1 1 42 42 ASP HB2 H 1 2.707 0.010 . 2 . . . A 6769 ASP HB2 . 19536 1 509 . 1 1 42 42 ASP HB3 H 1 3.195 0.009 . 2 . . . A 6769 ASP HB3 . 19536 1 510 . 1 1 42 42 ASP C C 13 177.070 0.027 . 1 . . . A 6769 ASP C . 19536 1 511 . 1 1 42 42 ASP CA C 13 52.354 0.134 . 1 . . . A 6769 ASP CA . 19536 1 512 . 1 1 42 42 ASP CB C 13 41.448 0.050 . 1 . . . A 6769 ASP CB . 19536 1 513 . 1 1 42 42 ASP N N 15 128.840 0.020 . 1 . . . A 6769 ASP N . 19536 1 514 . 1 1 43 43 SER H H 1 8.392 0.004 . 1 . . . A 6770 SER H . 19536 1 515 . 1 1 43 43 SER HA H 1 4.146 0.004 . 1 . . . A 6770 SER HA . 19536 1 516 . 1 1 43 43 SER HB2 H 1 3.940 0.009 . 2 . . . A 6770 SER HB2 . 19536 1 517 . 1 1 43 43 SER HB3 H 1 3.940 0.009 . 2 . . . A 6770 SER HB3 . 19536 1 518 . 1 1 43 43 SER C C 13 176.281 0.005 . 1 . . . A 6770 SER C . 19536 1 519 . 1 1 43 43 SER CA C 13 61.691 0.180 . 1 . . . A 6770 SER CA . 19536 1 520 . 1 1 43 43 SER CB C 13 62.726 0.097 . 1 . . . A 6770 SER CB . 19536 1 521 . 1 1 43 43 SER N N 15 113.540 0.025 . 1 . . . A 6770 SER N . 19536 1 522 . 1 1 44 44 ILE H H 1 7.567 0.003 . 1 . . . A 6771 ILE H . 19536 1 523 . 1 1 44 44 ILE HA H 1 3.883 0.005 . 1 . . . A 6771 ILE HA . 19536 1 524 . 1 1 44 44 ILE HB H 1 2.095 0.004 . 1 . . . A 6771 ILE HB . 19536 1 525 . 1 1 44 44 ILE HG12 H 1 1.231 0.004 . 2 . . . A 6771 ILE HG12 . 19536 1 526 . 1 1 44 44 ILE HG13 H 1 1.583 0.005 . 2 . . . A 6771 ILE HG13 . 19536 1 527 . 1 1 44 44 ILE HG21 H 1 0.959 0.005 . 1 . . . A 6771 ILE HG21 . 19536 1 528 . 1 1 44 44 ILE HG22 H 1 0.959 0.005 . 1 . . . A 6771 ILE HG22 . 19536 1 529 . 1 1 44 44 ILE HG23 H 1 0.959 0.005 . 1 . . . A 6771 ILE HG23 . 19536 1 530 . 1 1 44 44 ILE HD11 H 1 0.892 0.007 . 1 . . . A 6771 ILE HD11 . 19536 1 531 . 1 1 44 44 ILE HD12 H 1 0.892 0.007 . 1 . . . A 6771 ILE HD12 . 19536 1 532 . 1 1 44 44 ILE HD13 H 1 0.892 0.007 . 1 . . . A 6771 ILE HD13 . 19536 1 533 . 1 1 44 44 ILE C C 13 178.944 0.007 . 1 . . . A 6771 ILE C . 19536 1 534 . 1 1 44 44 ILE CA C 13 64.011 0.069 . 1 . . . A 6771 ILE CA . 19536 1 535 . 1 1 44 44 ILE CB C 13 37.795 0.052 . 1 . . . A 6771 ILE CB . 19536 1 536 . 1 1 44 44 ILE CG1 C 13 28.431 0.056 . 1 . . . A 6771 ILE CG1 . 19536 1 537 . 1 1 44 44 ILE CG2 C 13 17.394 0.030 . 1 . . . A 6771 ILE CG2 . 19536 1 538 . 1 1 44 44 ILE CD1 C 13 12.310 0.044 . 1 . . . A 6771 ILE CD1 . 19536 1 539 . 1 1 44 44 ILE N N 15 122.625 0.017 . 1 . . . A 6771 ILE N . 19536 1 540 . 1 1 45 45 LEU H H 1 8.837 0.004 . 1 . . . A 6772 LEU H . 19536 1 541 . 1 1 45 45 LEU HA H 1 4.149 0.004 . 1 . . . A 6772 LEU HA . 19536 1 542 . 1 1 45 45 LEU HB2 H 1 1.299 0.007 . 2 . . . A 6772 LEU HB2 . 19536 1 543 . 1 1 45 45 LEU HB3 H 1 1.738 0.006 . 2 . . . A 6772 LEU HB3 . 19536 1 544 . 1 1 45 45 LEU HG H 1 1.923 0.007 . 1 . . . A 6772 LEU HG . 19536 1 545 . 1 1 45 45 LEU HD11 H 1 0.920 0.007 . 2 . . . A 6772 LEU HD11 . 19536 1 546 . 1 1 45 45 LEU HD12 H 1 0.920 0.007 . 2 . . . A 6772 LEU HD12 . 19536 1 547 . 1 1 45 45 LEU HD13 H 1 0.920 0.007 . 2 . . . A 6772 LEU HD13 . 19536 1 548 . 1 1 45 45 LEU HD21 H 1 1.007 0.003 . 2 . . . A 6772 LEU HD21 . 19536 1 549 . 1 1 45 45 LEU HD22 H 1 1.007 0.003 . 2 . . . A 6772 LEU HD22 . 19536 1 550 . 1 1 45 45 LEU HD23 H 1 1.007 0.003 . 2 . . . A 6772 LEU HD23 . 19536 1 551 . 1 1 45 45 LEU C C 13 179.752 0.009 . 1 . . . A 6772 LEU C . 19536 1 552 . 1 1 45 45 LEU CA C 13 57.489 0.098 . 1 . . . A 6772 LEU CA . 19536 1 553 . 1 1 45 45 LEU CB C 13 42.398 0.081 . 1 . . . A 6772 LEU CB . 19536 1 554 . 1 1 45 45 LEU CG C 13 27.352 0.057 . 1 . . . A 6772 LEU CG . 19536 1 555 . 1 1 45 45 LEU CD1 C 13 23.289 0.086 . 1 . . . A 6772 LEU CD1 . 19536 1 556 . 1 1 45 45 LEU CD2 C 13 25.861 0.088 . 1 . . . A 6772 LEU CD2 . 19536 1 557 . 1 1 45 45 LEU N N 15 122.255 0.016 . 1 . . . A 6772 LEU N . 19536 1 558 . 1 1 46 46 GLY H H 1 8.630 0.004 . 1 . . . A 6773 GLY H . 19536 1 559 . 1 1 46 46 GLY HA2 H 1 3.369 0.008 . 2 . . . A 6773 GLY HA2 . 19536 1 560 . 1 1 46 46 GLY HA3 H 1 3.739 0.006 . 2 . . . A 6773 GLY HA3 . 19536 1 561 . 1 1 46 46 GLY C C 13 175.337 0.002 . 1 . . . A 6773 GLY C . 19536 1 562 . 1 1 46 46 GLY CA C 13 47.757 0.054 . 1 . . . A 6773 GLY CA . 19536 1 563 . 1 1 46 46 GLY N N 15 107.292 0.021 . 1 . . . A 6773 GLY N . 19536 1 564 . 1 1 47 47 VAL H H 1 7.307 0.005 . 1 . . . A 6774 VAL H . 19536 1 565 . 1 1 47 47 VAL HA H 1 3.624 0.004 . 1 . . . A 6774 VAL HA . 19536 1 566 . 1 1 47 47 VAL HB H 1 2.259 0.007 . 1 . . . A 6774 VAL HB . 19536 1 567 . 1 1 47 47 VAL HG11 H 1 0.995 0.006 . 2 . . . A 6774 VAL HG11 . 19536 1 568 . 1 1 47 47 VAL HG12 H 1 0.995 0.006 . 2 . . . A 6774 VAL HG12 . 19536 1 569 . 1 1 47 47 VAL HG13 H 1 0.995 0.006 . 2 . . . A 6774 VAL HG13 . 19536 1 570 . 1 1 47 47 VAL HG21 H 1 1.134 0.006 . 2 . . . A 6774 VAL HG21 . 19536 1 571 . 1 1 47 47 VAL HG22 H 1 1.134 0.006 . 2 . . . A 6774 VAL HG22 . 19536 1 572 . 1 1 47 47 VAL HG23 H 1 1.134 0.006 . 2 . . . A 6774 VAL HG23 . 19536 1 573 . 1 1 47 47 VAL C C 13 178.898 0.006 . 1 . . . A 6774 VAL C . 19536 1 574 . 1 1 47 47 VAL CA C 13 66.869 0.075 . 1 . . . A 6774 VAL CA . 19536 1 575 . 1 1 47 47 VAL CB C 13 31.975 0.081 . 1 . . . A 6774 VAL CB . 19536 1 576 . 1 1 47 47 VAL CG1 C 13 21.251 0.030 . 1 . . . A 6774 VAL CG1 . 19536 1 577 . 1 1 47 47 VAL CG2 C 13 22.967 0.097 . 1 . . . A 6774 VAL CG2 . 19536 1 578 . 1 1 47 47 VAL N N 15 121.089 0.031 . 1 . . . A 6774 VAL N . 19536 1 579 . 1 1 48 48 GLU H H 1 7.461 0.005 . 1 . . . A 6775 GLU H . 19536 1 580 . 1 1 48 48 GLU HA H 1 4.129 0.006 . 1 . . . A 6775 GLU HA . 19536 1 581 . 1 1 48 48 GLU HB2 H 1 2.222 0.007 . 2 . . . A 6775 GLU HB2 . 19536 1 582 . 1 1 48 48 GLU HB3 H 1 2.222 0.007 . 2 . . . A 6775 GLU HB3 . 19536 1 583 . 1 1 48 48 GLU HG2 H 1 2.510 0.007 . 2 . . . A 6775 GLU HG2 . 19536 1 584 . 1 1 48 48 GLU HG3 H 1 2.510 0.007 . 2 . . . A 6775 GLU HG3 . 19536 1 585 . 1 1 48 48 GLU C C 13 179.675 0.034 . 1 . . . A 6775 GLU C . 19536 1 586 . 1 1 48 48 GLU CA C 13 59.231 0.076 . 1 . . . A 6775 GLU CA . 19536 1 587 . 1 1 48 48 GLU CB C 13 29.417 0.051 . 1 . . . A 6775 GLU CB . 19536 1 588 . 1 1 48 48 GLU CG C 13 35.692 0.130 . 1 . . . A 6775 GLU CG . 19536 1 589 . 1 1 48 48 GLU N N 15 120.648 0.020 . 1 . . . A 6775 GLU N . 19536 1 590 . 1 1 49 49 PHE H H 1 8.757 0.003 . 1 . . . A 6776 PHE H . 19536 1 591 . 1 1 49 49 PHE HA H 1 4.404 0.004 . 1 . . . A 6776 PHE HA . 19536 1 592 . 1 1 49 49 PHE HB2 H 1 3.038 0.007 . 2 . . . A 6776 PHE HB2 . 19536 1 593 . 1 1 49 49 PHE HB3 H 1 3.116 0.007 . 2 . . . A 6776 PHE HB3 . 19536 1 594 . 1 1 49 49 PHE HD1 H 1 6.775 0.004 . 1 . . . A 6776 PHE HD1 . 19536 1 595 . 1 1 49 49 PHE HD2 H 1 6.775 0.004 . 1 . . . A 6776 PHE HD2 . 19536 1 596 . 1 1 49 49 PHE HE1 H 1 6.686 0.004 . 1 . . . A 6776 PHE HE1 . 19536 1 597 . 1 1 49 49 PHE HE2 H 1 6.686 0.004 . 1 . . . A 6776 PHE HE2 . 19536 1 598 . 1 1 49 49 PHE HZ H 1 6.991 0.003 . 1 . . . A 6776 PHE HZ . 19536 1 599 . 1 1 49 49 PHE C C 13 176.140 0.006 . 1 . . . A 6776 PHE C . 19536 1 600 . 1 1 49 49 PHE CA C 13 59.995 0.110 . 1 . . . A 6776 PHE CA . 19536 1 601 . 1 1 49 49 PHE CB C 13 39.075 0.070 . 1 . . . A 6776 PHE CB . 19536 1 602 . 1 1 49 49 PHE CD1 C 13 131.086 0.023 . 1 . . . A 6776 PHE CD1 . 19536 1 603 . 1 1 49 49 PHE CD2 C 13 131.166 0.050 . 1 . . . A 6776 PHE CD2 . 19536 1 604 . 1 1 49 49 PHE CE1 C 13 131.370 0.005 . 1 . . . A 6776 PHE CE1 . 19536 1 605 . 1 1 49 49 PHE CE2 C 13 131.378 0.014 . 1 . . . A 6776 PHE CE2 . 19536 1 606 . 1 1 49 49 PHE CZ C 13 128.797 0.016 . 1 . . . A 6776 PHE CZ . 19536 1 607 . 1 1 49 49 PHE N N 15 120.423 0.019 . 1 . . . A 6776 PHE N . 19536 1 608 . 1 1 50 50 VAL H H 1 8.478 0.003 . 1 . . . A 6777 VAL H . 19536 1 609 . 1 1 50 50 VAL HA H 1 3.086 0.003 . 1 . . . A 6777 VAL HA . 19536 1 610 . 1 1 50 50 VAL HB H 1 2.060 0.006 . 1 . . . A 6777 VAL HB . 19536 1 611 . 1 1 50 50 VAL HG11 H 1 0.777 0.005 . 2 . . . A 6777 VAL HG11 . 19536 1 612 . 1 1 50 50 VAL HG12 H 1 0.777 0.005 . 2 . . . A 6777 VAL HG12 . 19536 1 613 . 1 1 50 50 VAL HG13 H 1 0.777 0.005 . 2 . . . A 6777 VAL HG13 . 19536 1 614 . 1 1 50 50 VAL HG21 H 1 0.925 0.005 . 2 . . . A 6777 VAL HG21 . 19536 1 615 . 1 1 50 50 VAL HG22 H 1 0.925 0.005 . 2 . . . A 6777 VAL HG22 . 19536 1 616 . 1 1 50 50 VAL HG23 H 1 0.925 0.005 . 2 . . . A 6777 VAL HG23 . 19536 1 617 . 1 1 50 50 VAL C C 13 177.204 0.004 . 1 . . . A 6777 VAL C . 19536 1 618 . 1 1 50 50 VAL CA C 13 67.219 0.043 . 1 . . . A 6777 VAL CA . 19536 1 619 . 1 1 50 50 VAL CB C 13 31.088 0.051 . 1 . . . A 6777 VAL CB . 19536 1 620 . 1 1 50 50 VAL CG1 C 13 22.267 0.055 . 1 . . . A 6777 VAL CG1 . 19536 1 621 . 1 1 50 50 VAL CG2 C 13 23.454 0.055 . 1 . . . A 6777 VAL CG2 . 19536 1 622 . 1 1 50 50 VAL N N 15 118.017 0.019 . 1 . . . A 6777 VAL N . 19536 1 623 . 1 1 51 51 ALA H H 1 7.916 0.004 . 1 . . . A 6778 ALA H . 19536 1 624 . 1 1 51 51 ALA HA H 1 4.197 0.006 . 1 . . . A 6778 ALA HA . 19536 1 625 . 1 1 51 51 ALA HB1 H 1 1.510 0.007 . 1 . . . A 6778 ALA HB1 . 19536 1 626 . 1 1 51 51 ALA HB2 H 1 1.510 0.007 . 1 . . . A 6778 ALA HB2 . 19536 1 627 . 1 1 51 51 ALA HB3 H 1 1.510 0.007 . 1 . . . A 6778 ALA HB3 . 19536 1 628 . 1 1 51 51 ALA C C 13 180.700 0.005 . 1 . . . A 6778 ALA C . 19536 1 629 . 1 1 51 51 ALA CA C 13 55.377 0.073 . 1 . . . A 6778 ALA CA . 19536 1 630 . 1 1 51 51 ALA CB C 13 17.678 0.205 . 1 . . . A 6778 ALA CB . 19536 1 631 . 1 1 51 51 ALA N N 15 121.479 0.050 . 1 . . . A 6778 ALA N . 19536 1 632 . 1 1 52 52 ALA H H 1 7.712 0.003 . 1 . . . A 6779 ALA H . 19536 1 633 . 1 1 52 52 ALA HA H 1 4.172 0.005 . 1 . . . A 6779 ALA HA . 19536 1 634 . 1 1 52 52 ALA HB1 H 1 1.602 0.005 . 1 . . . A 6779 ALA HB1 . 19536 1 635 . 1 1 52 52 ALA HB2 H 1 1.602 0.005 . 1 . . . A 6779 ALA HB2 . 19536 1 636 . 1 1 52 52 ALA HB3 H 1 1.602 0.005 . 1 . . . A 6779 ALA HB3 . 19536 1 637 . 1 1 52 52 ALA C C 13 180.997 0.005 . 1 . . . A 6779 ALA C . 19536 1 638 . 1 1 52 52 ALA CA C 13 55.125 0.197 . 1 . . . A 6779 ALA CA . 19536 1 639 . 1 1 52 52 ALA CB C 13 17.877 0.104 . 1 . . . A 6779 ALA CB . 19536 1 640 . 1 1 52 52 ALA N N 15 122.170 0.028 . 1 . . . A 6779 ALA N . 19536 1 641 . 1 1 53 53 VAL H H 1 8.258 0.003 . 1 . . . A 6780 VAL H . 19536 1 642 . 1 1 53 53 VAL HA H 1 3.459 0.003 . 1 . . . A 6780 VAL HA . 19536 1 643 . 1 1 53 53 VAL HB H 1 1.977 0.004 . 1 . . . A 6780 VAL HB . 19536 1 644 . 1 1 53 53 VAL HG11 H 1 0.969 0.005 . 2 . . . A 6780 VAL HG11 . 19536 1 645 . 1 1 53 53 VAL HG12 H 1 0.969 0.005 . 2 . . . A 6780 VAL HG12 . 19536 1 646 . 1 1 53 53 VAL HG13 H 1 0.969 0.005 . 2 . . . A 6780 VAL HG13 . 19536 1 647 . 1 1 53 53 VAL HG21 H 1 0.529 0.007 . 2 . . . A 6780 VAL HG21 . 19536 1 648 . 1 1 53 53 VAL HG22 H 1 0.529 0.007 . 2 . . . A 6780 VAL HG22 . 19536 1 649 . 1 1 53 53 VAL HG23 H 1 0.529 0.007 . 2 . . . A 6780 VAL HG23 . 19536 1 650 . 1 1 53 53 VAL C C 13 177.166 0.006 . 1 . . . A 6780 VAL C . 19536 1 651 . 1 1 53 53 VAL CA C 13 67.070 0.061 . 1 . . . A 6780 VAL CA . 19536 1 652 . 1 1 53 53 VAL CB C 13 31.417 0.055 . 1 . . . A 6780 VAL CB . 19536 1 653 . 1 1 53 53 VAL CG1 C 13 21.813 0.083 . 1 . . . A 6780 VAL CG1 . 19536 1 654 . 1 1 53 53 VAL CG2 C 13 23.893 0.047 . 1 . . . A 6780 VAL CG2 . 19536 1 655 . 1 1 53 53 VAL N N 15 120.551 0.031 . 1 . . . A 6780 VAL N . 19536 1 656 . 1 1 54 54 ASN H H 1 8.449 0.004 . 1 . . . A 6781 ASN H . 19536 1 657 . 1 1 54 54 ASN HA H 1 5.125 0.003 . 1 . . . A 6781 ASN HA . 19536 1 658 . 1 1 54 54 ASN HB2 H 1 2.704 0.004 . 2 . . . A 6781 ASN HB2 . 19536 1 659 . 1 1 54 54 ASN HB3 H 1 2.817 0.007 . 2 . . . A 6781 ASN HB3 . 19536 1 660 . 1 1 54 54 ASN HD21 H 1 7.710 0.002 . 2 . . . A 6781 ASN HD21 . 19536 1 661 . 1 1 54 54 ASN HD22 H 1 7.040 0.003 . 2 . . . A 6781 ASN HD22 . 19536 1 662 . 1 1 54 54 ASN C C 13 177.280 0.006 . 1 . . . A 6781 ASN C . 19536 1 663 . 1 1 54 54 ASN CA C 13 54.663 0.087 . 1 . . . A 6781 ASN CA . 19536 1 664 . 1 1 54 54 ASN CB C 13 38.719 0.041 . 1 . . . A 6781 ASN CB . 19536 1 665 . 1 1 54 54 ASN CG C 13 175.413 0.000 . 1 . . . A 6781 ASN CG . 19536 1 666 . 1 1 54 54 ASN N N 15 117.023 0.017 . 1 . . . A 6781 ASN N . 19536 1 667 . 1 1 54 54 ASN ND2 N 15 110.834 0.036 . 1 . . . A 6781 ASN ND2 . 19536 1 668 . 1 1 55 55 ALA H H 1 7.526 0.004 . 1 . . . A 6782 ALA H . 19536 1 669 . 1 1 55 55 ALA HA H 1 4.242 0.004 . 1 . . . A 6782 ALA HA . 19536 1 670 . 1 1 55 55 ALA HB1 H 1 1.452 0.005 . 1 . . . A 6782 ALA HB1 . 19536 1 671 . 1 1 55 55 ALA HB2 H 1 1.452 0.005 . 1 . . . A 6782 ALA HB2 . 19536 1 672 . 1 1 55 55 ALA HB3 H 1 1.452 0.005 . 1 . . . A 6782 ALA HB3 . 19536 1 673 . 1 1 55 55 ALA C C 13 178.312 0.007 . 1 . . . A 6782 ALA C . 19536 1 674 . 1 1 55 55 ALA CA C 13 53.345 0.051 . 1 . . . A 6782 ALA CA . 19536 1 675 . 1 1 55 55 ALA CB C 13 18.330 0.143 . 1 . . . A 6782 ALA CB . 19536 1 676 . 1 1 55 55 ALA N N 15 120.465 0.013 . 1 . . . A 6782 ALA N . 19536 1 677 . 1 1 56 56 ALA H H 1 7.350 0.003 . 1 . . . A 6783 ALA H . 19536 1 678 . 1 1 56 56 ALA HA H 1 4.036 0.003 . 1 . . . A 6783 ALA HA . 19536 1 679 . 1 1 56 56 ALA HB1 H 1 1.099 0.005 . 1 . . . A 6783 ALA HB1 . 19536 1 680 . 1 1 56 56 ALA HB2 H 1 1.099 0.005 . 1 . . . A 6783 ALA HB2 . 19536 1 681 . 1 1 56 56 ALA HB3 H 1 1.099 0.005 . 1 . . . A 6783 ALA HB3 . 19536 1 682 . 1 1 56 56 ALA C C 13 177.298 0.006 . 1 . . . A 6783 ALA C . 19536 1 683 . 1 1 56 56 ALA CA C 13 53.657 0.059 . 1 . . . A 6783 ALA CA . 19536 1 684 . 1 1 56 56 ALA CB C 13 20.101 0.049 . 1 . . . A 6783 ALA CB . 19536 1 685 . 1 1 56 56 ALA N N 15 121.547 0.015 . 1 . . . A 6783 ALA N . 19536 1 686 . 1 1 57 57 TYR H H 1 8.565 0.003 . 1 . . . A 6784 TYR H . 19536 1 687 . 1 1 57 57 TYR HA H 1 4.993 0.006 . 1 . . . A 6784 TYR HA . 19536 1 688 . 1 1 57 57 TYR HB2 H 1 2.716 0.006 . 2 . . . A 6784 TYR HB2 . 19536 1 689 . 1 1 57 57 TYR HB3 H 1 2.716 0.006 . 2 . . . A 6784 TYR HB3 . 19536 1 690 . 1 1 57 57 TYR HD1 H 1 7.039 0.004 . 1 . . . A 6784 TYR HD1 . 19536 1 691 . 1 1 57 57 TYR HD2 H 1 7.039 0.004 . 1 . . . A 6784 TYR HD2 . 19536 1 692 . 1 1 57 57 TYR HE1 H 1 6.571 0.005 . 1 . . . A 6784 TYR HE1 . 19536 1 693 . 1 1 57 57 TYR HE2 H 1 6.571 0.005 . 1 . . . A 6784 TYR HE2 . 19536 1 694 . 1 1 57 57 TYR CA C 13 54.512 0.086 . 1 . . . A 6784 TYR CA . 19536 1 695 . 1 1 57 57 TYR CB C 13 41.516 0.040 . 1 . . . A 6784 TYR CB . 19536 1 696 . 1 1 57 57 TYR CD1 C 13 133.580 0.000 . 1 . . . A 6784 TYR CD1 . 19536 1 697 . 1 1 57 57 TYR CD2 C 13 133.617 0.054 . 1 . . . A 6784 TYR CD2 . 19536 1 698 . 1 1 57 57 TYR CE1 C 13 117.525 0.008 . 1 . . . A 6784 TYR CE1 . 19536 1 699 . 1 1 57 57 TYR CE2 C 13 117.505 0.022 . 1 . . . A 6784 TYR CE2 . 19536 1 700 . 1 1 57 57 TYR N N 15 116.130 0.021 . 1 . . . A 6784 TYR N . 19536 1 701 . 1 1 58 58 PRO HA H 1 5.023 0.003 . 1 . . . A 6785 PRO HA . 19536 1 702 . 1 1 58 58 PRO HB2 H 1 1.877 0.006 . 2 . . . A 6785 PRO HB2 . 19536 1 703 . 1 1 58 58 PRO HB3 H 1 2.367 0.003 . 2 . . . A 6785 PRO HB3 . 19536 1 704 . 1 1 58 58 PRO HG2 H 1 1.873 0.001 . 2 . . . A 6785 PRO HG2 . 19536 1 705 . 1 1 58 58 PRO HG3 H 1 2.099 0.005 . 2 . . . A 6785 PRO HG3 . 19536 1 706 . 1 1 58 58 PRO HD2 H 1 3.646 0.005 . 2 . . . A 6785 PRO HD2 . 19536 1 707 . 1 1 58 58 PRO HD3 H 1 3.646 0.005 . 2 . . . A 6785 PRO HD3 . 19536 1 708 . 1 1 58 58 PRO C C 13 176.627 0.006 . 1 . . . A 6785 PRO C . 19536 1 709 . 1 1 58 58 PRO CA C 13 62.710 0.084 . 1 . . . A 6785 PRO CA . 19536 1 710 . 1 1 58 58 PRO CB C 13 28.033 0.090 . 1 . . . A 6785 PRO CB . 19536 1 711 . 1 1 58 58 PRO CG C 13 27.507 0.073 . 1 . . . A 6785 PRO CG . 19536 1 712 . 1 1 58 58 PRO CD C 13 50.423 0.043 . 1 . . . A 6785 PRO CD . 19536 1 713 . 1 1 59 59 VAL H H 1 8.692 0.005 . 1 . . . A 6786 VAL H . 19536 1 714 . 1 1 59 59 VAL HA H 1 4.359 0.002 . 1 . . . A 6786 VAL HA . 19536 1 715 . 1 1 59 59 VAL HB H 1 2.091 0.003 . 1 . . . A 6786 VAL HB . 19536 1 716 . 1 1 59 59 VAL HG11 H 1 0.878 0.006 . 2 . . . A 6786 VAL HG11 . 19536 1 717 . 1 1 59 59 VAL HG12 H 1 0.878 0.006 . 2 . . . A 6786 VAL HG12 . 19536 1 718 . 1 1 59 59 VAL HG13 H 1 0.878 0.006 . 2 . . . A 6786 VAL HG13 . 19536 1 719 . 1 1 59 59 VAL HG21 H 1 0.750 0.006 . 2 . . . A 6786 VAL HG21 . 19536 1 720 . 1 1 59 59 VAL HG22 H 1 0.750 0.006 . 2 . . . A 6786 VAL HG22 . 19536 1 721 . 1 1 59 59 VAL HG23 H 1 0.750 0.006 . 2 . . . A 6786 VAL HG23 . 19536 1 722 . 1 1 59 59 VAL C C 13 176.484 0.007 . 1 . . . A 6786 VAL C . 19536 1 723 . 1 1 59 59 VAL CA C 13 61.021 0.052 . 1 . . . A 6786 VAL CA . 19536 1 724 . 1 1 59 59 VAL CB C 13 33.207 0.059 . 1 . . . A 6786 VAL CB . 19536 1 725 . 1 1 59 59 VAL CG1 C 13 19.425 0.077 . 1 . . . A 6786 VAL CG1 . 19536 1 726 . 1 1 59 59 VAL CG2 C 13 22.400 0.097 . 1 . . . A 6786 VAL CG2 . 19536 1 727 . 1 1 59 59 VAL N N 15 116.628 0.015 . 1 . . . A 6786 VAL N . 19536 1 728 . 1 1 60 60 GLY H H 1 8.584 0.004 . 1 . . . A 6787 GLY H . 19536 1 729 . 1 1 60 60 GLY HA2 H 1 3.670 0.011 . 2 . . . A 6787 GLY HA2 . 19536 1 730 . 1 1 60 60 GLY HA3 H 1 3.722 0.011 . 2 . . . A 6787 GLY HA3 . 19536 1 731 . 1 1 60 60 GLY C C 13 175.971 0.002 . 1 . . . A 6787 GLY C . 19536 1 732 . 1 1 60 60 GLY CA C 13 47.685 0.045 . 1 . . . A 6787 GLY CA . 19536 1 733 . 1 1 60 60 GLY N N 15 114.470 0.025 . 1 . . . A 6787 GLY N . 19536 1 734 . 1 1 61 61 VAL H H 1 9.006 0.002 . 1 . . . A 6788 VAL H . 19536 1 735 . 1 1 61 61 VAL HA H 1 4.206 0.005 . 1 . . . A 6788 VAL HA . 19536 1 736 . 1 1 61 61 VAL HB H 1 2.091 0.005 . 1 . . . A 6788 VAL HB . 19536 1 737 . 1 1 61 61 VAL HG11 H 1 1.046 0.005 . 2 . . . A 6788 VAL HG11 . 19536 1 738 . 1 1 61 61 VAL HG12 H 1 1.046 0.005 . 2 . . . A 6788 VAL HG12 . 19536 1 739 . 1 1 61 61 VAL HG13 H 1 1.046 0.005 . 2 . . . A 6788 VAL HG13 . 19536 1 740 . 1 1 61 61 VAL HG21 H 1 0.966 0.007 . 2 . . . A 6788 VAL HG21 . 19536 1 741 . 1 1 61 61 VAL HG22 H 1 0.966 0.007 . 2 . . . A 6788 VAL HG22 . 19536 1 742 . 1 1 61 61 VAL HG23 H 1 0.966 0.007 . 2 . . . A 6788 VAL HG23 . 19536 1 743 . 1 1 61 61 VAL C C 13 175.818 0.007 . 1 . . . A 6788 VAL C . 19536 1 744 . 1 1 61 61 VAL CA C 13 62.047 0.083 . 1 . . . A 6788 VAL CA . 19536 1 745 . 1 1 61 61 VAL CB C 13 32.895 0.050 . 1 . . . A 6788 VAL CB . 19536 1 746 . 1 1 61 61 VAL CG1 C 13 21.410 0.072 . 1 . . . A 6788 VAL CG1 . 19536 1 747 . 1 1 61 61 VAL CG2 C 13 21.462 0.085 . 1 . . . A 6788 VAL CG2 . 19536 1 748 . 1 1 61 61 VAL N N 15 119.269 0.027 . 1 . . . A 6788 VAL N . 19536 1 749 . 1 1 62 62 LYS H H 1 8.542 0.005 . 1 . . . A 6789 LYS H . 19536 1 750 . 1 1 62 62 LYS HA H 1 4.666 0.007 . 1 . . . A 6789 LYS HA . 19536 1 751 . 1 1 62 62 LYS HB2 H 1 1.819 0.007 . 2 . . . A 6789 LYS HB2 . 19536 1 752 . 1 1 62 62 LYS HB3 H 1 2.116 0.003 . 2 . . . A 6789 LYS HB3 . 19536 1 753 . 1 1 62 62 LYS HG2 H 1 1.513 0.005 . 2 . . . A 6789 LYS HG2 . 19536 1 754 . 1 1 62 62 LYS HG3 H 1 1.605 0.009 . 2 . . . A 6789 LYS HG3 . 19536 1 755 . 1 1 62 62 LYS HD2 H 1 1.708 0.007 . 2 . . . A 6789 LYS HD2 . 19536 1 756 . 1 1 62 62 LYS HD3 H 1 1.708 0.007 . 2 . . . A 6789 LYS HD3 . 19536 1 757 . 1 1 62 62 LYS HE2 H 1 3.034 0.004 . 2 . . . A 6789 LYS HE2 . 19536 1 758 . 1 1 62 62 LYS HE3 H 1 3.034 0.004 . 2 . . . A 6789 LYS HE3 . 19536 1 759 . 1 1 62 62 LYS HZ1 H 1 6.934 0.005 . 1 . . . A 6789 LYS HZ1 . 19536 1 760 . 1 1 62 62 LYS HZ2 H 1 6.934 0.005 . 1 . . . A 6789 LYS HZ2 . 19536 1 761 . 1 1 62 62 LYS HZ3 H 1 6.934 0.005 . 1 . . . A 6789 LYS HZ3 . 19536 1 762 . 1 1 62 62 LYS C C 13 177.878 0.007 . 1 . . . A 6789 LYS C . 19536 1 763 . 1 1 62 62 LYS CA C 13 54.624 0.127 . 1 . . . A 6789 LYS CA . 19536 1 764 . 1 1 62 62 LYS CB C 13 35.154 0.051 . 1 . . . A 6789 LYS CB . 19536 1 765 . 1 1 62 62 LYS CG C 13 25.251 0.078 . 1 . . . A 6789 LYS CG . 19536 1 766 . 1 1 62 62 LYS CD C 13 28.917 0.059 . 1 . . . A 6789 LYS CD . 19536 1 767 . 1 1 62 62 LYS CE C 13 42.286 0.062 . 1 . . . A 6789 LYS CE . 19536 1 768 . 1 1 62 62 LYS N N 15 123.586 0.030 . 1 . . . A 6789 LYS N . 19536 1 769 . 1 1 63 63 ALA H H 1 9.052 0.003 . 1 . . . A 6790 ALA H . 19536 1 770 . 1 1 63 63 ALA HA H 1 3.978 0.004 . 1 . . . A 6790 ALA HA . 19536 1 771 . 1 1 63 63 ALA HB1 H 1 1.444 0.004 . 1 . . . A 6790 ALA HB1 . 19536 1 772 . 1 1 63 63 ALA HB2 H 1 1.444 0.004 . 1 . . . A 6790 ALA HB2 . 19536 1 773 . 1 1 63 63 ALA HB3 H 1 1.444 0.004 . 1 . . . A 6790 ALA HB3 . 19536 1 774 . 1 1 63 63 ALA C C 13 179.368 0.006 . 1 . . . A 6790 ALA C . 19536 1 775 . 1 1 63 63 ALA CA C 13 55.506 0.088 . 1 . . . A 6790 ALA CA . 19536 1 776 . 1 1 63 63 ALA CB C 13 17.698 0.087 . 1 . . . A 6790 ALA CB . 19536 1 777 . 1 1 63 63 ALA N N 15 122.805 0.026 . 1 . . . A 6790 ALA N . 19536 1 778 . 1 1 64 64 THR H H 1 7.346 0.004 . 1 . . . A 6791 THR H . 19536 1 779 . 1 1 64 64 THR HA H 1 3.982 0.005 . 1 . . . A 6791 THR HA . 19536 1 780 . 1 1 64 64 THR HB H 1 4.434 0.002 . 1 . . . A 6791 THR HB . 19536 1 781 . 1 1 64 64 THR HG21 H 1 1.321 0.005 . 1 . . . A 6791 THR HG21 . 19536 1 782 . 1 1 64 64 THR HG22 H 1 1.321 0.005 . 1 . . . A 6791 THR HG22 . 19536 1 783 . 1 1 64 64 THR HG23 H 1 1.321 0.005 . 1 . . . A 6791 THR HG23 . 19536 1 784 . 1 1 64 64 THR C C 13 176.690 0.006 . 1 . . . A 6791 THR C . 19536 1 785 . 1 1 64 64 THR CA C 13 63.704 0.064 . 1 . . . A 6791 THR CA . 19536 1 786 . 1 1 64 64 THR CB C 13 68.132 0.054 . 1 . . . A 6791 THR CB . 19536 1 787 . 1 1 64 64 THR CG2 C 13 22.589 0.077 . 1 . . . A 6791 THR CG2 . 19536 1 788 . 1 1 64 64 THR N N 15 106.614 0.016 . 1 . . . A 6791 THR N . 19536 1 789 . 1 1 65 65 ALA H H 1 8.321 0.003 . 1 . . . A 6792 ALA H . 19536 1 790 . 1 1 65 65 ALA HA H 1 4.386 0.005 . 1 . . . A 6792 ALA HA . 19536 1 791 . 1 1 65 65 ALA HB1 H 1 1.718 0.005 . 1 . . . A 6792 ALA HB1 . 19536 1 792 . 1 1 65 65 ALA HB2 H 1 1.718 0.005 . 1 . . . A 6792 ALA HB2 . 19536 1 793 . 1 1 65 65 ALA HB3 H 1 1.718 0.005 . 1 . . . A 6792 ALA HB3 . 19536 1 794 . 1 1 65 65 ALA C C 13 178.903 0.004 . 1 . . . A 6792 ALA C . 19536 1 795 . 1 1 65 65 ALA CA C 13 54.987 0.100 . 1 . . . A 6792 ALA CA . 19536 1 796 . 1 1 65 65 ALA CB C 13 19.244 0.049 . 1 . . . A 6792 ALA CB . 19536 1 797 . 1 1 65 65 ALA N N 15 124.944 0.014 . 1 . . . A 6792 ALA N . 19536 1 798 . 1 1 66 66 LEU H H 1 7.412 0.006 . 1 . . . A 6793 LEU H . 19536 1 799 . 1 1 66 66 LEU HA H 1 3.896 0.006 . 1 . . . A 6793 LEU HA . 19536 1 800 . 1 1 66 66 LEU HB2 H 1 1.346 0.006 . 2 . . . A 6793 LEU HB2 . 19536 1 801 . 1 1 66 66 LEU HB3 H 1 1.742 0.007 . 2 . . . A 6793 LEU HB3 . 19536 1 802 . 1 1 66 66 LEU HG H 1 1.343 0.004 . 1 . . . A 6793 LEU HG . 19536 1 803 . 1 1 66 66 LEU HD11 H 1 0.152 0.002 . 2 . . . A 6793 LEU HD11 . 19536 1 804 . 1 1 66 66 LEU HD12 H 1 0.152 0.002 . 2 . . . A 6793 LEU HD12 . 19536 1 805 . 1 1 66 66 LEU HD13 H 1 0.152 0.002 . 2 . . . A 6793 LEU HD13 . 19536 1 806 . 1 1 66 66 LEU HD21 H 1 0.563 0.005 . 2 . . . A 6793 LEU HD21 . 19536 1 807 . 1 1 66 66 LEU HD22 H 1 0.563 0.005 . 2 . . . A 6793 LEU HD22 . 19536 1 808 . 1 1 66 66 LEU HD23 H 1 0.563 0.005 . 2 . . . A 6793 LEU HD23 . 19536 1 809 . 1 1 66 66 LEU C C 13 177.494 0.006 . 1 . . . A 6793 LEU C . 19536 1 810 . 1 1 66 66 LEU CA C 13 57.262 0.105 . 1 . . . A 6793 LEU CA . 19536 1 811 . 1 1 66 66 LEU CB C 13 40.694 0.112 . 1 . . . A 6793 LEU CB . 19536 1 812 . 1 1 66 66 LEU CG C 13 26.106 0.090 . 1 . . . A 6793 LEU CG . 19536 1 813 . 1 1 66 66 LEU CD1 C 13 21.557 0.040 . 1 . . . A 6793 LEU CD1 . 19536 1 814 . 1 1 66 66 LEU CD2 C 13 27.061 0.046 . 1 . . . A 6793 LEU CD2 . 19536 1 815 . 1 1 66 66 LEU N N 15 114.712 0.017 . 1 . . . A 6793 LEU N . 19536 1 816 . 1 1 67 67 TYR H H 1 7.283 0.004 . 1 . . . A 6794 TYR H . 19536 1 817 . 1 1 67 67 TYR HA H 1 4.447 0.008 . 1 . . . A 6794 TYR HA . 19536 1 818 . 1 1 67 67 TYR HB2 H 1 3.009 0.007 . 2 . . . A 6794 TYR HB2 . 19536 1 819 . 1 1 67 67 TYR HB3 H 1 3.164 0.004 . 2 . . . A 6794 TYR HB3 . 19536 1 820 . 1 1 67 67 TYR HD1 H 1 7.152 0.005 . 1 . . . A 6794 TYR HD1 . 19536 1 821 . 1 1 67 67 TYR HD2 H 1 7.152 0.005 . 1 . . . A 6794 TYR HD2 . 19536 1 822 . 1 1 67 67 TYR HE1 H 1 6.808 0.003 . 1 . . . A 6794 TYR HE1 . 19536 1 823 . 1 1 67 67 TYR HE2 H 1 6.808 0.003 . 1 . . . A 6794 TYR HE2 . 19536 1 824 . 1 1 67 67 TYR C C 13 177.262 0.007 . 1 . . . A 6794 TYR C . 19536 1 825 . 1 1 67 67 TYR CA C 13 58.834 0.040 . 1 . . . A 6794 TYR CA . 19536 1 826 . 1 1 67 67 TYR CB C 13 38.105 0.049 . 1 . . . A 6794 TYR CB . 19536 1 827 . 1 1 67 67 TYR CD1 C 13 133.122 0.034 . 1 . . . A 6794 TYR CD1 . 19536 1 828 . 1 1 67 67 TYR CD2 C 13 133.113 0.026 . 1 . . . A 6794 TYR CD2 . 19536 1 829 . 1 1 67 67 TYR CE1 C 13 118.222 0.027 . 1 . . . A 6794 TYR CE1 . 19536 1 830 . 1 1 67 67 TYR CE2 C 13 118.228 0.026 . 1 . . . A 6794 TYR CE2 . 19536 1 831 . 1 1 67 67 TYR N N 15 116.174 0.027 . 1 . . . A 6794 TYR N . 19536 1 832 . 1 1 68 68 ASP H H 1 7.442 0.005 . 1 . . . A 6795 ASP H . 19536 1 833 . 1 1 68 68 ASP HA H 1 4.225 0.004 . 1 . . . A 6795 ASP HA . 19536 1 834 . 1 1 68 68 ASP HB2 H 1 2.084 0.007 . 2 . . . A 6795 ASP HB2 . 19536 1 835 . 1 1 68 68 ASP HB3 H 1 2.185 0.005 . 2 . . . A 6795 ASP HB3 . 19536 1 836 . 1 1 68 68 ASP C C 13 175.889 0.003 . 1 . . . A 6795 ASP C . 19536 1 837 . 1 1 68 68 ASP CA C 13 55.900 0.067 . 1 . . . A 6795 ASP CA . 19536 1 838 . 1 1 68 68 ASP CB C 13 41.041 0.046 . 1 . . . A 6795 ASP CB . 19536 1 839 . 1 1 68 68 ASP N N 15 117.692 0.025 . 1 . . . A 6795 ASP N . 19536 1 840 . 1 1 69 69 HIS H H 1 7.504 0.005 . 1 . . . A 6796 HIS H . 19536 1 841 . 1 1 69 69 HIS HA H 1 5.104 0.003 . 1 . . . A 6796 HIS HA . 19536 1 842 . 1 1 69 69 HIS HB2 H 1 2.552 0.009 . 2 . . . A 6796 HIS HB2 . 19536 1 843 . 1 1 69 69 HIS HB3 H 1 3.572 0.007 . 2 . . . A 6796 HIS HB3 . 19536 1 844 . 1 1 69 69 HIS HD2 H 1 6.696 0.005 . 1 . . . A 6796 HIS HD2 . 19536 1 845 . 1 1 69 69 HIS HE1 H 1 7.970 0.004 . 1 . . . A 6796 HIS HE1 . 19536 1 846 . 1 1 69 69 HIS CA C 13 52.208 0.094 . 1 . . . A 6796 HIS CA . 19536 1 847 . 1 1 69 69 HIS CB C 13 28.874 0.038 . 1 . . . A 6796 HIS CB . 19536 1 848 . 1 1 69 69 HIS CD2 C 13 120.971 0.024 . 1 . . . A 6796 HIS CD2 . 19536 1 849 . 1 1 69 69 HIS CE1 C 13 137.898 0.013 . 1 . . . A 6796 HIS CE1 . 19536 1 850 . 1 1 69 69 HIS N N 15 116.616 0.018 . 1 . . . A 6796 HIS N . 19536 1 851 . 1 1 69 69 HIS ND1 N 15 208.042 0.000 . 1 . . . A 6796 HIS ND1 . 19536 1 852 . 1 1 69 69 HIS NE2 N 15 176.704 0.053 . 1 . . . A 6796 HIS NE2 . 19536 1 853 . 1 1 70 70 PRO HA H 1 5.199 0.004 . 1 . . . A 6797 PRO HA . 19536 1 854 . 1 1 70 70 PRO HB2 H 1 2.253 0.005 . 2 . . . A 6797 PRO HB2 . 19536 1 855 . 1 1 70 70 PRO HB3 H 1 2.417 0.005 . 2 . . . A 6797 PRO HB3 . 19536 1 856 . 1 1 70 70 PRO HG2 H 1 1.872 0.006 . 2 . . . A 6797 PRO HG2 . 19536 1 857 . 1 1 70 70 PRO HG3 H 1 2.035 0.009 . 2 . . . A 6797 PRO HG3 . 19536 1 858 . 1 1 70 70 PRO HD2 H 1 3.354 0.004 . 2 . . . A 6797 PRO HD2 . 19536 1 859 . 1 1 70 70 PRO HD3 H 1 3.624 0.008 . 2 . . . A 6797 PRO HD3 . 19536 1 860 . 1 1 70 70 PRO C C 13 176.660 0.010 . 1 . . . A 6797 PRO C . 19536 1 861 . 1 1 70 70 PRO CA C 13 66.653 0.095 . 1 . . . A 6797 PRO CA . 19536 1 862 . 1 1 70 70 PRO CB C 13 32.399 0.084 . 1 . . . A 6797 PRO CB . 19536 1 863 . 1 1 70 70 PRO CG C 13 26.783 0.094 . 1 . . . A 6797 PRO CG . 19536 1 864 . 1 1 70 70 PRO CD C 13 50.198 0.068 . 1 . . . A 6797 PRO CD . 19536 1 865 . 1 1 71 71 THR H H 1 7.338 0.005 . 1 . . . A 6798 THR H . 19536 1 866 . 1 1 71 71 THR HA H 1 4.437 0.007 . 1 . . . A 6798 THR HA . 19536 1 867 . 1 1 71 71 THR HB H 1 4.361 0.003 . 1 . . . A 6798 THR HB . 19536 1 868 . 1 1 71 71 THR HG21 H 1 0.855 0.006 . 1 . . . A 6798 THR HG21 . 19536 1 869 . 1 1 71 71 THR HG22 H 1 0.855 0.006 . 1 . . . A 6798 THR HG22 . 19536 1 870 . 1 1 71 71 THR HG23 H 1 0.855 0.006 . 1 . . . A 6798 THR HG23 . 19536 1 871 . 1 1 71 71 THR CA C 13 57.098 0.086 . 1 . . . A 6798 THR CA . 19536 1 872 . 1 1 71 71 THR CB C 13 70.207 0.075 . 1 . . . A 6798 THR CB . 19536 1 873 . 1 1 71 71 THR CG2 C 13 21.583 0.094 . 1 . . . A 6798 THR CG2 . 19536 1 874 . 1 1 71 71 THR N N 15 111.256 0.018 . 1 . . . A 6798 THR N . 19536 1 875 . 1 1 72 72 PRO HA H 1 4.071 0.005 . 1 . . . A 6799 PRO HA . 19536 1 876 . 1 1 72 72 PRO HB2 H 1 1.999 0.008 . 2 . . . A 6799 PRO HB2 . 19536 1 877 . 1 1 72 72 PRO HB3 H 1 1.999 0.008 . 2 . . . A 6799 PRO HB3 . 19536 1 878 . 1 1 72 72 PRO HG2 H 1 1.240 0.008 . 2 . . . A 6799 PRO HG2 . 19536 1 879 . 1 1 72 72 PRO HG3 H 1 1.615 0.008 . 2 . . . A 6799 PRO HG3 . 19536 1 880 . 1 1 72 72 PRO HD2 H 1 2.609 0.006 . 2 . . . A 6799 PRO HD2 . 19536 1 881 . 1 1 72 72 PRO HD3 H 1 4.014 0.008 . 2 . . . A 6799 PRO HD3 . 19536 1 882 . 1 1 72 72 PRO C C 13 178.009 0.041 . 1 . . . A 6799 PRO C . 19536 1 883 . 1 1 72 72 PRO CA C 13 66.296 0.063 . 1 . . . A 6799 PRO CA . 19536 1 884 . 1 1 72 72 PRO CB C 13 30.928 0.055 . 1 . . . A 6799 PRO CB . 19536 1 885 . 1 1 72 72 PRO CG C 13 28.011 0.066 . 1 . . . A 6799 PRO CG . 19536 1 886 . 1 1 72 72 PRO CD C 13 50.554 0.070 . 1 . . . A 6799 PRO CD . 19536 1 887 . 1 1 73 73 ALA H H 1 8.678 0.004 . 1 . . . A 6800 ALA H . 19536 1 888 . 1 1 73 73 ALA HA H 1 4.111 0.004 . 1 . . . A 6800 ALA HA . 19536 1 889 . 1 1 73 73 ALA HB1 H 1 1.254 0.005 . 1 . . . A 6800 ALA HB1 . 19536 1 890 . 1 1 73 73 ALA HB2 H 1 1.254 0.005 . 1 . . . A 6800 ALA HB2 . 19536 1 891 . 1 1 73 73 ALA HB3 H 1 1.254 0.005 . 1 . . . A 6800 ALA HB3 . 19536 1 892 . 1 1 73 73 ALA C C 13 180.616 0.039 . 1 . . . A 6800 ALA C . 19536 1 893 . 1 1 73 73 ALA CA C 13 55.420 0.069 . 1 . . . A 6800 ALA CA . 19536 1 894 . 1 1 73 73 ALA CB C 13 18.813 0.063 . 1 . . . A 6800 ALA CB . 19536 1 895 . 1 1 73 73 ALA N N 15 118.763 0.021 . 1 . . . A 6800 ALA N . 19536 1 896 . 1 1 74 74 ALA H H 1 8.425 0.005 . 1 . . . A 6801 ALA H . 19536 1 897 . 1 1 74 74 ALA HA H 1 4.158 0.007 . 1 . . . A 6801 ALA HA . 19536 1 898 . 1 1 74 74 ALA HB1 H 1 1.619 0.005 . 1 . . . A 6801 ALA HB1 . 19536 1 899 . 1 1 74 74 ALA HB2 H 1 1.619 0.005 . 1 . . . A 6801 ALA HB2 . 19536 1 900 . 1 1 74 74 ALA HB3 H 1 1.619 0.005 . 1 . . . A 6801 ALA HB3 . 19536 1 901 . 1 1 74 74 ALA C C 13 181.169 0.005 . 1 . . . A 6801 ALA C . 19536 1 902 . 1 1 74 74 ALA CA C 13 54.797 0.109 . 1 . . . A 6801 ALA CA . 19536 1 903 . 1 1 74 74 ALA CB C 13 18.525 0.083 . 1 . . . A 6801 ALA CB . 19536 1 904 . 1 1 74 74 ALA N N 15 122.489 0.042 . 1 . . . A 6801 ALA N . 19536 1 905 . 1 1 75 75 PHE H H 1 9.466 0.002 . 1 . . . A 6802 PHE H . 19536 1 906 . 1 1 75 75 PHE HA H 1 4.084 0.010 . 1 . . . A 6802 PHE HA . 19536 1 907 . 1 1 75 75 PHE HB2 H 1 3.534 0.005 . 2 . . . A 6802 PHE HB2 . 19536 1 908 . 1 1 75 75 PHE HB3 H 1 3.983 0.008 . 2 . . . A 6802 PHE HB3 . 19536 1 909 . 1 1 75 75 PHE HD1 H 1 7.417 0.005 . 1 . . . A 6802 PHE HD1 . 19536 1 910 . 1 1 75 75 PHE HD2 H 1 7.417 0.005 . 1 . . . A 6802 PHE HD2 . 19536 1 911 . 1 1 75 75 PHE HE1 H 1 7.128 0.005 . 1 . . . A 6802 PHE HE1 . 19536 1 912 . 1 1 75 75 PHE HE2 H 1 7.128 0.005 . 1 . . . A 6802 PHE HE2 . 19536 1 913 . 1 1 75 75 PHE HZ H 1 6.936 0.003 . 1 . . . A 6802 PHE HZ . 19536 1 914 . 1 1 75 75 PHE C C 13 177.177 0.006 . 1 . . . A 6802 PHE C . 19536 1 915 . 1 1 75 75 PHE CA C 13 62.201 0.081 . 1 . . . A 6802 PHE CA . 19536 1 916 . 1 1 75 75 PHE CB C 13 40.234 0.048 . 1 . . . A 6802 PHE CB . 19536 1 917 . 1 1 75 75 PHE CD1 C 13 131.532 0.000 . 1 . . . A 6802 PHE CD1 . 19536 1 918 . 1 1 75 75 PHE CD2 C 13 131.459 0.055 . 1 . . . A 6802 PHE CD2 . 19536 1 919 . 1 1 75 75 PHE CE1 C 13 131.516 0.000 . 1 . . . A 6802 PHE CE1 . 19536 1 920 . 1 1 75 75 PHE CE2 C 13 131.485 0.059 . 1 . . . A 6802 PHE CE2 . 19536 1 921 . 1 1 75 75 PHE CZ C 13 128.624 0.011 . 1 . . . A 6802 PHE CZ . 19536 1 922 . 1 1 75 75 PHE N N 15 122.904 0.016 . 1 . . . A 6802 PHE N . 19536 1 923 . 1 1 76 76 ALA H H 1 9.243 0.002 . 1 . . . A 6803 ALA H . 19536 1 924 . 1 1 76 76 ALA HA H 1 3.895 0.006 . 1 . . . A 6803 ALA HA . 19536 1 925 . 1 1 76 76 ALA HB1 H 1 1.573 0.004 . 1 . . . A 6803 ALA HB1 . 19536 1 926 . 1 1 76 76 ALA HB2 H 1 1.573 0.004 . 1 . . . A 6803 ALA HB2 . 19536 1 927 . 1 1 76 76 ALA HB3 H 1 1.573 0.004 . 1 . . . A 6803 ALA HB3 . 19536 1 928 . 1 1 76 76 ALA C C 13 179.246 0.007 . 1 . . . A 6803 ALA C . 19536 1 929 . 1 1 76 76 ALA CA C 13 55.676 0.097 . 1 . . . A 6803 ALA CA . 19536 1 930 . 1 1 76 76 ALA CB C 13 18.114 0.067 . 1 . . . A 6803 ALA CB . 19536 1 931 . 1 1 76 76 ALA N N 15 121.098 0.019 . 1 . . . A 6803 ALA N . 19536 1 932 . 1 1 77 77 ARG H H 1 7.674 0.004 . 1 . . . A 6804 ARG H . 19536 1 933 . 1 1 77 77 ARG HA H 1 4.014 0.006 . 1 . . . A 6804 ARG HA . 19536 1 934 . 1 1 77 77 ARG HB2 H 1 1.930 0.005 . 2 . . . A 6804 ARG HB2 . 19536 1 935 . 1 1 77 77 ARG HB3 H 1 1.930 0.005 . 2 . . . A 6804 ARG HB3 . 19536 1 936 . 1 1 77 77 ARG HG2 H 1 1.559 0.009 . 2 . . . A 6804 ARG HG2 . 19536 1 937 . 1 1 77 77 ARG HG3 H 1 1.770 0.005 . 2 . . . A 6804 ARG HG3 . 19536 1 938 . 1 1 77 77 ARG HD2 H 1 3.190 0.004 . 2 . . . A 6804 ARG HD2 . 19536 1 939 . 1 1 77 77 ARG HD3 H 1 3.253 0.008 . 2 . . . A 6804 ARG HD3 . 19536 1 940 . 1 1 77 77 ARG HE H 1 7.399 0.004 . 1 . . . A 6804 ARG HE . 19536 1 941 . 1 1 77 77 ARG C C 13 177.897 0.006 . 1 . . . A 6804 ARG C . 19536 1 942 . 1 1 77 77 ARG CA C 13 59.643 0.076 . 1 . . . A 6804 ARG CA . 19536 1 943 . 1 1 77 77 ARG CB C 13 29.787 0.084 . 1 . . . A 6804 ARG CB . 19536 1 944 . 1 1 77 77 ARG CG C 13 27.925 0.106 . 1 . . . A 6804 ARG CG . 19536 1 945 . 1 1 77 77 ARG CD C 13 43.403 0.067 . 1 . . . A 6804 ARG CD . 19536 1 946 . 1 1 77 77 ARG N N 15 117.920 0.019 . 1 . . . A 6804 ARG N . 19536 1 947 . 1 1 77 77 ARG NE N 15 84.362 0.026 . 1 . . . A 6804 ARG NE . 19536 1 948 . 1 1 78 78 HIS H H 1 7.599 0.004 . 1 . . . A 6805 HIS H . 19536 1 949 . 1 1 78 78 HIS HA H 1 4.255 0.005 . 1 . . . A 6805 HIS HA . 19536 1 950 . 1 1 78 78 HIS HB2 H 1 2.065 0.005 . 2 . . . A 6805 HIS HB2 . 19536 1 951 . 1 1 78 78 HIS HB3 H 1 2.947 0.004 . 2 . . . A 6805 HIS HB3 . 19536 1 952 . 1 1 78 78 HIS HD2 H 1 6.042 0.003 . 1 . . . A 6805 HIS HD2 . 19536 1 953 . 1 1 78 78 HIS HE1 H 1 7.864 0.006 . 1 . . . A 6805 HIS HE1 . 19536 1 954 . 1 1 78 78 HIS C C 13 177.881 0.012 . 1 . . . A 6805 HIS C . 19536 1 955 . 1 1 78 78 HIS CA C 13 58.865 0.076 . 1 . . . A 6805 HIS CA . 19536 1 956 . 1 1 78 78 HIS CB C 13 27.738 0.037 . 1 . . . A 6805 HIS CB . 19536 1 957 . 1 1 78 78 HIS CD2 C 13 121.532 0.142 . 1 . . . A 6805 HIS CD2 . 19536 1 958 . 1 1 78 78 HIS CE1 C 13 139.228 0.005 . 1 . . . A 6805 HIS CE1 . 19536 1 959 . 1 1 78 78 HIS N N 15 118.705 0.027 . 1 . . . A 6805 HIS N . 19536 1 960 . 1 1 78 78 HIS ND1 N 15 191.560 0.000 . 1 . . . A 6805 HIS ND1 . 19536 1 961 . 1 1 78 78 HIS NE2 N 15 204.923 0.058 . 1 . . . A 6805 HIS NE2 . 19536 1 962 . 1 1 79 79 ILE H H 1 7.940 0.003 . 1 . . . A 6806 ILE H . 19536 1 963 . 1 1 79 79 ILE HA H 1 3.090 0.005 . 1 . . . A 6806 ILE HA . 19536 1 964 . 1 1 79 79 ILE HB H 1 1.775 0.005 . 1 . . . A 6806 ILE HB . 19536 1 965 . 1 1 79 79 ILE HG12 H 1 0.923 0.007 . 2 . . . A 6806 ILE HG12 . 19536 1 966 . 1 1 79 79 ILE HG13 H 1 0.979 0.012 . 2 . . . A 6806 ILE HG13 . 19536 1 967 . 1 1 79 79 ILE HG21 H 1 0.247 0.006 . 1 . . . A 6806 ILE HG21 . 19536 1 968 . 1 1 79 79 ILE HG22 H 1 0.247 0.006 . 1 . . . A 6806 ILE HG22 . 19536 1 969 . 1 1 79 79 ILE HG23 H 1 0.247 0.006 . 1 . . . A 6806 ILE HG23 . 19536 1 970 . 1 1 79 79 ILE HD11 H 1 0.309 0.008 . 1 . . . A 6806 ILE HD11 . 19536 1 971 . 1 1 79 79 ILE HD12 H 1 0.309 0.008 . 1 . . . A 6806 ILE HD12 . 19536 1 972 . 1 1 79 79 ILE HD13 H 1 0.309 0.008 . 1 . . . A 6806 ILE HD13 . 19536 1 973 . 1 1 79 79 ILE C C 13 177.236 0.007 . 1 . . . A 6806 ILE C . 19536 1 974 . 1 1 79 79 ILE CA C 13 63.470 0.051 . 1 . . . A 6806 ILE CA . 19536 1 975 . 1 1 79 79 ILE CB C 13 35.647 0.046 . 1 . . . A 6806 ILE CB . 19536 1 976 . 1 1 79 79 ILE CG1 C 13 27.011 0.055 . 1 . . . A 6806 ILE CG1 . 19536 1 977 . 1 1 79 79 ILE CG2 C 13 17.106 0.044 . 1 . . . A 6806 ILE CG2 . 19536 1 978 . 1 1 79 79 ILE CD1 C 13 11.437 0.055 . 1 . . . A 6806 ILE CD1 . 19536 1 979 . 1 1 79 79 ILE N N 15 120.305 0.047 . 1 . . . A 6806 ILE N . 19536 1 980 . 1 1 80 80 ALA H H 1 8.036 0.003 . 1 . . . A 6807 ALA H . 19536 1 981 . 1 1 80 80 ALA HA H 1 3.692 0.004 . 1 . . . A 6807 ALA HA . 19536 1 982 . 1 1 80 80 ALA HB1 H 1 1.369 0.005 . 1 . . . A 6807 ALA HB1 . 19536 1 983 . 1 1 80 80 ALA HB2 H 1 1.369 0.005 . 1 . . . A 6807 ALA HB2 . 19536 1 984 . 1 1 80 80 ALA HB3 H 1 1.369 0.005 . 1 . . . A 6807 ALA HB3 . 19536 1 985 . 1 1 80 80 ALA C C 13 180.048 0.006 . 1 . . . A 6807 ALA C . 19536 1 986 . 1 1 80 80 ALA CA C 13 55.567 0.082 . 1 . . . A 6807 ALA CA . 19536 1 987 . 1 1 80 80 ALA CB C 13 18.036 0.053 . 1 . . . A 6807 ALA CB . 19536 1 988 . 1 1 80 80 ALA N N 15 120.540 0.043 . 1 . . . A 6807 ALA N . 19536 1 989 . 1 1 81 81 GLU H H 1 8.210 0.005 . 1 . . . A 6808 GLU H . 19536 1 990 . 1 1 81 81 GLU HA H 1 4.011 0.006 . 1 . . . A 6808 GLU HA . 19536 1 991 . 1 1 81 81 GLU HB2 H 1 1.999 0.006 . 2 . . . A 6808 GLU HB2 . 19536 1 992 . 1 1 81 81 GLU HB3 H 1 2.053 0.012 . 2 . . . A 6808 GLU HB3 . 19536 1 993 . 1 1 81 81 GLU HG2 H 1 2.250 0.010 . 2 . . . A 6808 GLU HG2 . 19536 1 994 . 1 1 81 81 GLU HG3 H 1 2.414 0.005 . 2 . . . A 6808 GLU HG3 . 19536 1 995 . 1 1 81 81 GLU C C 13 179.538 0.000 . 1 . . . A 6808 GLU C . 19536 1 996 . 1 1 81 81 GLU CA C 13 58.769 0.092 . 1 . . . A 6808 GLU CA . 19536 1 997 . 1 1 81 81 GLU CB C 13 29.496 0.116 . 1 . . . A 6808 GLU CB . 19536 1 998 . 1 1 81 81 GLU CG C 13 36.456 0.049 . 1 . . . A 6808 GLU CG . 19536 1 999 . 1 1 81 81 GLU N N 15 117.366 0.024 . 1 . . . A 6808 GLU N . 19536 1 1000 . 1 1 82 82 SER H H 1 7.752 0.006 . 1 . . . A 6809 SER H . 19536 1 1001 . 1 1 82 82 SER HA H 1 4.178 0.006 . 1 . . . A 6809 SER HA . 19536 1 1002 . 1 1 82 82 SER HB2 H 1 3.683 0.008 . 2 . . . A 6809 SER HB2 . 19536 1 1003 . 1 1 82 82 SER HB3 H 1 3.728 0.008 . 2 . . . A 6809 SER HB3 . 19536 1 1004 . 1 1 82 82 SER C C 13 174.981 0.004 . 1 . . . A 6809 SER C . 19536 1 1005 . 1 1 82 82 SER CA C 13 61.149 0.084 . 1 . . . A 6809 SER CA . 19536 1 1006 . 1 1 82 82 SER CB C 13 63.043 0.073 . 1 . . . A 6809 SER CB . 19536 1 1007 . 1 1 82 82 SER N N 15 115.942 0.018 . 1 . . . A 6809 SER N . 19536 1 1008 . 1 1 83 83 LEU H H 1 7.515 0.005 . 1 . . . A 6810 LEU H . 19536 1 1009 . 1 1 83 83 LEU HA H 1 4.175 0.004 . 1 . . . A 6810 LEU HA . 19536 1 1010 . 1 1 83 83 LEU HB2 H 1 1.545 0.005 . 2 . . . A 6810 LEU HB2 . 19536 1 1011 . 1 1 83 83 LEU HB3 H 1 1.545 0.005 . 2 . . . A 6810 LEU HB3 . 19536 1 1012 . 1 1 83 83 LEU HG H 1 1.543 0.003 . 1 . . . A 6810 LEU HG . 19536 1 1013 . 1 1 83 83 LEU HD11 H 1 0.752 0.003 . 2 . . . A 6810 LEU HD11 . 19536 1 1014 . 1 1 83 83 LEU HD12 H 1 0.752 0.003 . 2 . . . A 6810 LEU HD12 . 19536 1 1015 . 1 1 83 83 LEU HD13 H 1 0.752 0.003 . 2 . . . A 6810 LEU HD13 . 19536 1 1016 . 1 1 83 83 LEU HD21 H 1 0.622 0.004 . 2 . . . A 6810 LEU HD21 . 19536 1 1017 . 1 1 83 83 LEU HD22 H 1 0.622 0.004 . 2 . . . A 6810 LEU HD22 . 19536 1 1018 . 1 1 83 83 LEU HD23 H 1 0.622 0.004 . 2 . . . A 6810 LEU HD23 . 19536 1 1019 . 1 1 83 83 LEU C C 13 177.628 0.009 . 1 . . . A 6810 LEU C . 19536 1 1020 . 1 1 83 83 LEU CA C 13 55.423 0.087 . 1 . . . A 6810 LEU CA . 19536 1 1021 . 1 1 83 83 LEU CB C 13 42.711 0.084 . 1 . . . A 6810 LEU CB . 19536 1 1022 . 1 1 83 83 LEU CG C 13 26.250 0.114 . 1 . . . A 6810 LEU CG . 19536 1 1023 . 1 1 83 83 LEU CD1 C 13 23.182 0.085 . 1 . . . A 6810 LEU CD1 . 19536 1 1024 . 1 1 83 83 LEU CD2 C 13 26.124 0.049 . 1 . . . A 6810 LEU CD2 . 19536 1 1025 . 1 1 83 83 LEU N N 15 120.551 0.050 . 1 . . . A 6810 LEU N . 19536 1 1026 . 1 1 84 84 GLY H H 1 7.779 0.003 . 1 . . . A 6811 GLY H . 19536 1 1027 . 1 1 84 84 GLY HA2 H 1 3.894 0.008 . 2 . . . A 6811 GLY HA2 . 19536 1 1028 . 1 1 84 84 GLY HA3 H 1 3.894 0.008 . 2 . . . A 6811 GLY HA3 . 19536 1 1029 . 1 1 84 84 GLY C C 13 173.282 0.005 . 1 . . . A 6811 GLY C . 19536 1 1030 . 1 1 84 84 GLY CA C 13 45.860 0.090 . 1 . . . A 6811 GLY CA . 19536 1 1031 . 1 1 84 84 GLY N N 15 108.315 0.021 . 1 . . . A 6811 GLY N . 19536 1 1032 . 1 1 85 85 ALA H H 1 7.792 0.002 . 1 . . . A 6812 ALA H . 19536 1 1033 . 1 1 85 85 ALA HA H 1 4.108 0.003 . 1 . . . A 6812 ALA HA . 19536 1 1034 . 1 1 85 85 ALA HB1 H 1 1.256 0.004 . 1 . . . A 6812 ALA HB1 . 19536 1 1035 . 1 1 85 85 ALA HB2 H 1 1.256 0.004 . 1 . . . A 6812 ALA HB2 . 19536 1 1036 . 1 1 85 85 ALA HB3 H 1 1.256 0.004 . 1 . . . A 6812 ALA HB3 . 19536 1 1037 . 1 1 85 85 ALA CA C 13 53.595 0.049 . 1 . . . A 6812 ALA CA . 19536 1 1038 . 1 1 85 85 ALA CB C 13 20.114 0.055 . 1 . . . A 6812 ALA CB . 19536 1 1039 . 1 1 85 85 ALA N N 15 128.734 0.017 . 1 . . . A 6812 ALA N . 19536 1 stop_ save_