data_30297 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 30297 _Entry.Title ; 1H, 13C, 15N chemical shift assignments of the HIV-1 gp41 cytoplasmic tail, residues 752-856 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2017-05-22 _Entry.Accession_date 2017-05-22 _Entry.Last_release_date 2017-05-25 _Entry.Original_release_date 2017-05-25 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . 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.ORCID _Entry_author.Entry_ID 1 J. Saad J. S. . . 30297 2 R. Murphy R. E. . . 30297 3 A. Samal A. . . . 30297 4 J. Vlach J. . . . 30297 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID HIV-1 . 30297 'VIRAL PROTEIN' . 30297 alpha-helix . 30297 'cytoplasmic tail' . 30297 envelope . 30297 'plasma membrane' . 30297 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 30297 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 462 30297 '15N chemical shifts' 107 30297 '1H chemical shifts' 680 30297 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 . . 2017-11-02 . original BMRB . 30297 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 5VWL 'BMRB Entry Tracking System' 30297 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 30297 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI 10.1016/j.str.2017.09.010 _Citation.PubMed_ID 29056482 _Citation.Full_citation . _Citation.Title ; Solution Structure and Membrane Interaction of the Cytoplasmic Tail of HIV-1 gp41 Protein ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Structure _Citation.Journal_name_full 'Structure (London, England : 1993)' _Citation.Journal_volume 0969-2126 _Citation.Journal_issue 17 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1878-4186 _Citation.Journal_CSD 0353 _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 30301 _Citation.Page_last 30305 _Citation.Year 2017 _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.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 'R Elliot' Murphy R. E. . . 30297 1 2 Alexandra Samal A. B. . . 30297 1 3 Jiri Vlach J. . . . 30297 1 4 Jamil Saad J. S. . . 30297 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 30297 _Assembly.ID 1 _Assembly.Name 'Cytoplasmic Tail of HIV-1 gp41 protein' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 entity_1 1 $entity_1 A A yes . . . . . . 30297 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 30297 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _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 ; SLALIWDDLRSLCLFSYHRL RDLLLIVTRIVELLGRRGWE ALKYWWNLLQYWSQELKNSA VNLLNATAIAVAEGTDRVIE VLQAAYRAIRHIPRRIRQGL ERILL ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 105 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment 'residues 752-856' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 12398.524 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 752 SER . 30297 1 2 753 LEU . 30297 1 3 754 ALA . 30297 1 4 755 LEU . 30297 1 5 756 ILE . 30297 1 6 757 TRP . 30297 1 7 758 ASP . 30297 1 8 759 ASP . 30297 1 9 760 LEU . 30297 1 10 761 ARG . 30297 1 11 762 SER . 30297 1 12 763 LEU . 30297 1 13 764 CYS . 30297 1 14 765 LEU . 30297 1 15 766 PHE . 30297 1 16 767 SER . 30297 1 17 768 TYR . 30297 1 18 769 HIS . 30297 1 19 770 ARG . 30297 1 20 771 LEU . 30297 1 21 772 ARG . 30297 1 22 773 ASP . 30297 1 23 774 LEU . 30297 1 24 775 LEU . 30297 1 25 776 LEU . 30297 1 26 777 ILE . 30297 1 27 778 VAL . 30297 1 28 779 THR . 30297 1 29 780 ARG . 30297 1 30 781 ILE . 30297 1 31 782 VAL . 30297 1 32 783 GLU . 30297 1 33 784 LEU . 30297 1 34 785 LEU . 30297 1 35 786 GLY . 30297 1 36 787 ARG . 30297 1 37 788 ARG . 30297 1 38 789 GLY . 30297 1 39 790 TRP . 30297 1 40 791 GLU . 30297 1 41 792 ALA . 30297 1 42 793 LEU . 30297 1 43 794 LYS . 30297 1 44 795 TYR . 30297 1 45 796 TRP . 30297 1 46 797 TRP . 30297 1 47 798 ASN . 30297 1 48 799 LEU . 30297 1 49 800 LEU . 30297 1 50 801 GLN . 30297 1 51 802 TYR . 30297 1 52 803 TRP . 30297 1 53 804 SER . 30297 1 54 805 GLN . 30297 1 55 806 GLU . 30297 1 56 807 LEU . 30297 1 57 808 LYS . 30297 1 58 809 ASN . 30297 1 59 810 SER . 30297 1 60 811 ALA . 30297 1 61 812 VAL . 30297 1 62 813 ASN . 30297 1 63 814 LEU . 30297 1 64 815 LEU . 30297 1 65 816 ASN . 30297 1 66 817 ALA . 30297 1 67 818 THR . 30297 1 68 819 ALA . 30297 1 69 820 ILE . 30297 1 70 821 ALA . 30297 1 71 822 VAL . 30297 1 72 823 ALA . 30297 1 73 824 GLU . 30297 1 74 825 GLY . 30297 1 75 826 THR . 30297 1 76 827 ASP . 30297 1 77 828 ARG . 30297 1 78 829 VAL . 30297 1 79 830 ILE . 30297 1 80 831 GLU . 30297 1 81 832 VAL . 30297 1 82 833 LEU . 30297 1 83 834 GLN . 30297 1 84 835 ALA . 30297 1 85 836 ALA . 30297 1 86 837 TYR . 30297 1 87 838 ARG . 30297 1 88 839 ALA . 30297 1 89 840 ILE . 30297 1 90 841 ARG . 30297 1 91 842 HIS . 30297 1 92 843 ILE . 30297 1 93 844 PRO . 30297 1 94 845 ARG . 30297 1 95 846 ARG . 30297 1 96 847 ILE . 30297 1 97 848 ARG . 30297 1 98 849 GLN . 30297 1 99 850 GLY . 30297 1 100 851 LEU . 30297 1 101 852 GLU . 30297 1 102 853 ARG . 30297 1 103 854 ILE . 30297 1 104 855 LEU . 30297 1 105 856 LEU . 30297 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 . SER 1 1 30297 1 . LEU 2 2 30297 1 . ALA 3 3 30297 1 . LEU 4 4 30297 1 . ILE 5 5 30297 1 . TRP 6 6 30297 1 . ASP 7 7 30297 1 . ASP 8 8 30297 1 . LEU 9 9 30297 1 . ARG 10 10 30297 1 . SER 11 11 30297 1 . LEU 12 12 30297 1 . CYS 13 13 30297 1 . LEU 14 14 30297 1 . PHE 15 15 30297 1 . SER 16 16 30297 1 . TYR 17 17 30297 1 . HIS 18 18 30297 1 . ARG 19 19 30297 1 . LEU 20 20 30297 1 . ARG 21 21 30297 1 . ASP 22 22 30297 1 . LEU 23 23 30297 1 . LEU 24 24 30297 1 . LEU 25 25 30297 1 . ILE 26 26 30297 1 . VAL 27 27 30297 1 . THR 28 28 30297 1 . ARG 29 29 30297 1 . ILE 30 30 30297 1 . VAL 31 31 30297 1 . GLU 32 32 30297 1 . LEU 33 33 30297 1 . LEU 34 34 30297 1 . GLY 35 35 30297 1 . ARG 36 36 30297 1 . ARG 37 37 30297 1 . GLY 38 38 30297 1 . TRP 39 39 30297 1 . GLU 40 40 30297 1 . ALA 41 41 30297 1 . LEU 42 42 30297 1 . LYS 43 43 30297 1 . TYR 44 44 30297 1 . TRP 45 45 30297 1 . TRP 46 46 30297 1 . ASN 47 47 30297 1 . LEU 48 48 30297 1 . LEU 49 49 30297 1 . GLN 50 50 30297 1 . TYR 51 51 30297 1 . TRP 52 52 30297 1 . SER 53 53 30297 1 . GLN 54 54 30297 1 . GLU 55 55 30297 1 . LEU 56 56 30297 1 . LYS 57 57 30297 1 . ASN 58 58 30297 1 . SER 59 59 30297 1 . ALA 60 60 30297 1 . VAL 61 61 30297 1 . ASN 62 62 30297 1 . LEU 63 63 30297 1 . LEU 64 64 30297 1 . ASN 65 65 30297 1 . ALA 66 66 30297 1 . THR 67 67 30297 1 . ALA 68 68 30297 1 . ILE 69 69 30297 1 . ALA 70 70 30297 1 . VAL 71 71 30297 1 . ALA 72 72 30297 1 . GLU 73 73 30297 1 . GLY 74 74 30297 1 . THR 75 75 30297 1 . ASP 76 76 30297 1 . ARG 77 77 30297 1 . VAL 78 78 30297 1 . ILE 79 79 30297 1 . GLU 80 80 30297 1 . VAL 81 81 30297 1 . LEU 82 82 30297 1 . GLN 83 83 30297 1 . ALA 84 84 30297 1 . ALA 85 85 30297 1 . TYR 86 86 30297 1 . ARG 87 87 30297 1 . ALA 88 88 30297 1 . ILE 89 89 30297 1 . ARG 90 90 30297 1 . HIS 91 91 30297 1 . ILE 92 92 30297 1 . PRO 93 93 30297 1 . ARG 94 94 30297 1 . ARG 95 95 30297 1 . ILE 96 96 30297 1 . ARG 97 97 30297 1 . GLN 98 98 30297 1 . GLY 99 99 30297 1 . LEU 100 100 30297 1 . GLU 101 101 30297 1 . ARG 102 102 30297 1 . ILE 103 103 30297 1 . LEU 104 104 30297 1 . LEU 105 105 30297 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 30297 _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.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.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 11676 organism . 'Human immunodeficiency virus 1' HIV-1 . . Viruses . Lentivirus HIV-1 . . . . . . . . . . . env . 30297 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 30297 _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_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.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . 469008 Escherichia coli 'BL21 (DE3)' . . plasmid . . pET28 . . . 30297 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 30297 _Sample.ID 1 _Sample.Type micelle _Sample.Sub_type . _Sample.Details ; 500 uM gp4CTc, 50 mM sodium phosphate, 50 mM sodium chloride, 1 mM TCEP, 25 mM DPC, 95% H2O/5% D2O. ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 DPC 'natural abundance' . . . . . . 25 . . mM . . . . 30297 1 2 TCEP 'natural abundance' . . . . . . 1 . . mM . . . . 30297 1 3 gp4CTc 'natural abundance' . . 1 $entity_1 . . 500 . . uM . . . . 30297 1 4 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 30297 1 5 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 30297 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 30297 _Sample.ID 2 _Sample.Type micelle _Sample.Sub_type . _Sample.Details ; 500 uM [U-99% 15N] gp4CTc, 50 mM sodium phosphate, 50 mM sodium chloride, 1 mM TCEP, 25 mM DPC, 95% H2O/5% D2O. ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 DPC 'natural abundance' . . . . . . 25 . . mM . . . . 30297 2 2 TCEP 'natural abundance' . . . . . . 1 . . mM . . . . 30297 2 3 gp4CTc '[U-99% 15N]' . . 1 $entity_1 . . 500 . . uM . . . . 30297 2 4 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 30297 2 5 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 30297 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 30297 _Sample.ID 3 _Sample.Type micelle _Sample.Sub_type . _Sample.Details ; 500 uM [U-99% 13C; U-99% 15N] gp4CTc, 50 mM sodium phosphate, 50 mM sodium chloride, 1 mM TCEP, 25 mM DPC, 95% H2O/5% D2O. ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 DPC 'natural abundance' . . . . . . 25 . . mM . . . . 30297 3 2 TCEP 'natural abundance' . . . . . . 1 . . mM . . . . 30297 3 3 gp4CTc '[U-99% 13C; U-99% 15N]' . . 1 $entity_1 . . 500 . . uM . . . . 30297 3 4 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 30297 3 5 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 30297 3 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 30297 _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' 200 . mM 30297 1 pH 6.0 . pH 30297 1 pressure 1 . atm 30297 1 temperature 324 . K 30297 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 30297 _Software.ID 1 _Software.Type . _Software.Name Analysis _Software.Version 2.4.2 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 30297 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 30297 1 'data analysis' 30297 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 30297 _Software.ID 2 _Software.Type . _Software.Name CYANA _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 30297 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 30297 2 'structure calculation' 30297 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 30297 _Software.ID 3 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 30297 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 30297 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 30297 _Software.ID 4 _Software.Type . _Software.Name TOPSPIN _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 30297 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 30297 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 30297 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'triple resonance cryo-probe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'Avance II' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 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 30297 _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 NMR_spectrometer_1 Bruker 'Avance II' . 700 . . . 30297 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 30297 _Experiment_list.ID 1 _Experiment_list.Details ; The author states that the unusual shifts in the 15N dimension are due to the high temperature at which the experiments were conducted ; loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D HNCO' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30297 1 2 '3D HNCACB' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30297 1 3 '3D HN(CO)CA' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30297 1 4 '3D HNCA' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30297 1 5 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30297 1 6 '3D HCCH-TOCSY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30297 1 7 '3D CBCA(CO)NH' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30297 1 8 '3D 1H-15N NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30297 1 9 '3D 1H-15N TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30297 1 10 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30297 1 11 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30297 1 12 '2D 1H-1H TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30297 1 13 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30297 1 14 '3D 1H-13C HMQC NOESY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30297 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 30297 _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.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.25144953 . . . . . 30297 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . 30297 1 N 15 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.10132912 . . . . . 30297 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_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 30297 _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 $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D HNCO' . . . 30297 1 2 '3D HNCACB' . . . 30297 1 3 '3D HN(CO)CA' . . . 30297 1 4 '3D HNCA' . . . 30297 1 5 '2D 1H-15N HSQC' . . . 30297 1 6 '3D HCCH-TOCSY' . . . 30297 1 7 '3D CBCA(CO)NH' . . . 30297 1 8 '3D 1H-15N NOESY' . . . 30297 1 9 '3D 1H-15N TOCSY' . . . 30297 1 10 '2D 1H-13C HSQC aromatic' . . . 30297 1 11 '2D 1H-13C HSQC aliphatic' . . . 30297 1 12 '2D 1H-1H TOCSY' . . . 30297 1 13 '2D 1H-1H NOESY' . . . 30297 1 14 '3D 1H-13C HMQC NOESY' . . . 30297 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.Ambiguity_set_ID _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 SER HA H 1 4.157 0.01 . 1 . . 1112 . A 752 SER HA . 30297 1 2 . 1 1 1 1 SER HB2 H 1 4.127 0.01 . 2 . . 1115 . A 752 SER HB2 . 30297 1 3 . 1 1 1 1 SER HB3 H 1 3.972 0.01 . 2 . . 1323 . A 752 SER HB3 . 30297 1 4 . 1 1 1 1 SER CA C 13 57.137 0.1 . 1 . . 1113 . A 752 SER CA . 30297 1 5 . 1 1 1 1 SER CB C 13 64.528 0.002 . 1 . . 1114 . A 752 SER CB . 30297 1 6 . 1 1 2 2 LEU HA H 1 4.247 0.004 . 1 . . 1301 . A 753 LEU HA . 30297 1 7 . 1 1 2 2 LEU HB2 H 1 1.702 0.01 . 1 . . 1300 . A 753 LEU HB2 . 30297 1 8 . 1 1 2 2 LEU C C 13 176.581 0.1 . 1 . . 458 . A 753 LEU C . 30297 1 9 . 1 1 2 2 LEU CA C 13 56.846 0.042 . 1 . . 206 . A 753 LEU CA . 30297 1 10 . 1 1 2 2 LEU CB C 13 42.127 0.004 . 1 . . 204 . A 753 LEU CB . 30297 1 11 . 1 1 2 2 LEU CG C 13 27.139 0.1 . 1 . . 1018 . A 753 LEU CG . 30297 1 12 . 1 1 2 2 LEU CD1 C 13 25.176 0.1 . 2 . . 1019 . A 753 LEU CD1 . 30297 1 13 . 1 1 2 2 LEU CD2 C 13 24.322 0.1 . 2 . . 1020 . A 753 LEU CD2 . 30297 1 14 . 1 1 3 3 ALA H H 1 8.332 0.001 . 1 . . 7 . A 754 ALA H . 30297 1 15 . 1 1 3 3 ALA HA H 1 4.153 0.005 . 1 . . 806 . A 754 ALA HA . 30297 1 16 . 1 1 3 3 ALA HB1 H 1 1.426 0.002 . 1 . . 579 . A 754 ALA HB1 . 30297 1 17 . 1 1 3 3 ALA HB2 H 1 1.426 0.002 . 1 . . 579 . A 754 ALA HB2 . 30297 1 18 . 1 1 3 3 ALA HB3 H 1 1.426 0.002 . 1 . . 579 . A 754 ALA HB3 . 30297 1 19 . 1 1 3 3 ALA C C 13 178.040 0.1 . 1 . . 413 . A 754 ALA C . 30297 1 20 . 1 1 3 3 ALA CA C 13 54.294 0.07 . 1 . . 244 . A 754 ALA CA . 30297 1 21 . 1 1 3 3 ALA CB C 13 18.816 0.044 . 1 . . 205 . A 754 ALA CB . 30297 1 22 . 1 1 3 3 ALA N N 15 121.475 0.031 . 1 . . 8 . A 754 ALA N . 30297 1 23 . 1 1 4 4 LEU H H 1 7.637 0.002 . 1 . . 69 . A 755 LEU H . 30297 1 24 . 1 1 4 4 LEU HA H 1 4.304 0.009 . 1 . . 692 . A 755 LEU HA . 30297 1 25 . 1 1 4 4 LEU HB2 H 1 1.651 0.005 . 2 . . 657 . A 755 LEU HB2 . 30297 1 26 . 1 1 4 4 LEU HB3 H 1 1.677 0.01 . 2 . . 580 . A 755 LEU HB3 . 30297 1 27 . 1 1 4 4 LEU HG H 1 1.667 0.01 . 1 . . 694 . A 755 LEU HG . 30297 1 28 . 1 1 4 4 LEU C C 13 177.526 0.1 . 1 . . 411 . A 755 LEU C . 30297 1 29 . 1 1 4 4 LEU CA C 13 56.434 0.05 . 1 . . 243 . A 755 LEU CA . 30297 1 30 . 1 1 4 4 LEU CB C 13 42.170 0.03 . 1 . . 245 . A 755 LEU CB . 30297 1 31 . 1 1 4 4 LEU CG C 13 27.162 0.019 . 1 . . 693 . A 755 LEU CG . 30297 1 32 . 1 1 4 4 LEU CD1 C 13 23.990 0.1 . 2 . . 838 . A 755 LEU CD1 . 30297 1 33 . 1 1 4 4 LEU CD2 C 13 25.085 0.1 . 2 . . 1125 . A 755 LEU CD2 . 30297 1 34 . 1 1 4 4 LEU N N 15 118.064 0.017 . 1 . . 70 . A 755 LEU N . 30297 1 35 . 1 1 5 5 ILE H H 1 7.718 0.001 . 1 . . 73 . A 756 ILE H . 30297 1 36 . 1 1 5 5 ILE HA H 1 4.172 0.007 . 1 . . 581 . A 756 ILE HA . 30297 1 37 . 1 1 5 5 ILE HB H 1 2.043 0.002 . 1 . . 874 . A 756 ILE HB . 30297 1 38 . 1 1 5 5 ILE HG12 H 1 1.535 0.002 . 2 . . 697 . A 756 ILE HG12 . 30297 1 39 . 1 1 5 5 ILE HG13 H 1 1.235 0.012 . 2 . . 698 . A 756 ILE HG13 . 30297 1 40 . 1 1 5 5 ILE HG21 H 1 0.877 0.001 . 1 . . 672 . A 756 ILE HG21 . 30297 1 41 . 1 1 5 5 ILE HG22 H 1 0.877 0.001 . 1 . . 672 . A 756 ILE HG22 . 30297 1 42 . 1 1 5 5 ILE HG23 H 1 0.877 0.001 . 1 . . 672 . A 756 ILE HG23 . 30297 1 43 . 1 1 5 5 ILE HD11 H 1 0.865 0.002 . 1 . . 663 . A 756 ILE HD11 . 30297 1 44 . 1 1 5 5 ILE HD12 H 1 0.865 0.002 . 1 . . 663 . A 756 ILE HD12 . 30297 1 45 . 1 1 5 5 ILE HD13 H 1 0.865 0.002 . 1 . . 663 . A 756 ILE HD13 . 30297 1 46 . 1 1 5 5 ILE C C 13 176.668 0.1 . 1 . . 462 . A 756 ILE C . 30297 1 47 . 1 1 5 5 ILE CA C 13 62.667 0.062 . 1 . . 201 . A 756 ILE CA . 30297 1 48 . 1 1 5 5 ILE CB C 13 38.492 0.035 . 1 . . 203 . A 756 ILE CB . 30297 1 49 . 1 1 5 5 ILE CG1 C 13 28.098 0.029 . 1 . . 671 . A 756 ILE CG1 . 30297 1 50 . 1 1 5 5 ILE CG2 C 13 17.726 0.052 . 1 . . 670 . A 756 ILE CG2 . 30297 1 51 . 1 1 5 5 ILE CD1 C 13 13.584 0.051 . 1 . . 669 . A 756 ILE CD1 . 30297 1 52 . 1 1 5 5 ILE N N 15 117.614 0.038 . 1 . . 74 . A 756 ILE N . 30297 1 53 . 1 1 6 6 TRP H H 1 8.107 0.002 . 1 . . 33 . A 757 TRP H . 30297 1 54 . 1 1 6 6 TRP HA H 1 4.476 0.008 . 1 . . 835 . A 757 TRP HA . 30297 1 55 . 1 1 6 6 TRP HB2 H 1 3.343 0.01 . 2 . . 1272 . A 757 TRP HB2 . 30297 1 56 . 1 1 6 6 TRP HB3 H 1 3.375 0.01 . 2 . . 1271 . A 757 TRP HB3 . 30297 1 57 . 1 1 6 6 TRP HD1 H 1 7.301 0.007 . 1 . . 919 . A 757 TRP HD1 . 30297 1 58 . 1 1 6 6 TRP HE1 H 1 10.129 0.01 . 1 . . 312 . A 757 TRP HE1 . 30297 1 59 . 1 1 6 6 TRP HE3 H 1 7.475 0.004 . 1 . . 1077 . A 757 TRP HE3 . 30297 1 60 . 1 1 6 6 TRP HZ2 H 1 7.456 0.015 . 1 . . 943 . A 757 TRP HZ2 . 30297 1 61 . 1 1 6 6 TRP HZ3 H 1 6.920 0.0 . 1 . . 852 . A 757 TRP HZ3 . 30297 1 62 . 1 1 6 6 TRP HH2 H 1 7.059 0.008 . 1 . . 934 . A 757 TRP HH2 . 30297 1 63 . 1 1 6 6 TRP C C 13 176.753 0.1 . 1 . . 404 . A 757 TRP C . 30297 1 64 . 1 1 6 6 TRP CA C 13 59.935 0.055 . 1 . . 200 . A 757 TRP CA . 30297 1 65 . 1 1 6 6 TRP CB C 13 29.885 0.028 . 1 . . 202 . A 757 TRP CB . 30297 1 66 . 1 1 6 6 TRP CD1 C 13 127.656 0.1 . 1 . . 920 . A 757 TRP CD1 . 30297 1 67 . 1 1 6 6 TRP CZ2 C 13 114.548 0.1 . 1 . . 945 . A 757 TRP CZ2 . 30297 1 68 . 1 1 6 6 TRP CH2 C 13 123.762 0.028 . 1 . . 936 . A 757 TRP CH2 . 30297 1 69 . 1 1 6 6 TRP N N 15 121.600 0.04 . 1 . . 34 . A 757 TRP N . 30297 1 70 . 1 1 6 6 TRP NE1 N 15 127.283 0.1 . 1 . . 313 . A 757 TRP NE1 . 30297 1 71 . 1 1 7 7 ASP H H 1 8.164 0.003 . 1 . . 125 . A 758 ASP H . 30297 1 72 . 1 1 7 7 ASP HA H 1 4.285 0.01 . 1 . . 819 . A 758 ASP HA . 30297 1 73 . 1 1 7 7 ASP HB2 H 1 2.682 0.001 . 2 . . 905 . A 758 ASP HB2 . 30297 1 74 . 1 1 7 7 ASP HB3 H 1 2.688 0.01 . 2 . . 1041 . A 758 ASP HB3 . 30297 1 75 . 1 1 7 7 ASP C C 13 178.130 0.1 . 1 . . 435 . A 758 ASP C . 30297 1 76 . 1 1 7 7 ASP CA C 13 57.645 0.044 . 1 . . 323 . A 758 ASP CA . 30297 1 77 . 1 1 7 7 ASP CB C 13 40.796 0.008 . 1 . . 330 . A 758 ASP CB . 30297 1 78 . 1 1 7 7 ASP N N 15 117.434 0.035 . 1 . . 126 . A 758 ASP N . 30297 1 79 . 1 1 8 8 ASP H H 1 7.869 0.002 . 1 . . 79 . A 759 ASP H . 30297 1 80 . 1 1 8 8 ASP HA H 1 4.491 0.006 . 1 . . 820 . A 759 ASP HA . 30297 1 81 . 1 1 8 8 ASP HB2 H 1 2.587 0.003 . 2 . . 1081 . A 759 ASP HB2 . 30297 1 82 . 1 1 8 8 ASP HB3 H 1 2.850 0.006 . 2 . . 906 . A 759 ASP HB3 . 30297 1 83 . 1 1 8 8 ASP C C 13 177.641 0.1 . 1 . . 456 . A 759 ASP C . 30297 1 84 . 1 1 8 8 ASP CA C 13 56.700 0.051 . 1 . . 220 . A 759 ASP CA . 30297 1 85 . 1 1 8 8 ASP CB C 13 40.168 0.035 . 1 . . 222 . A 759 ASP CB . 30297 1 86 . 1 1 8 8 ASP N N 15 119.360 0.016 . 1 . . 80 . A 759 ASP N . 30297 1 87 . 1 1 9 9 LEU H H 1 8.192 0.002 . 1 . . 29 . A 760 LEU H . 30297 1 88 . 1 1 9 9 LEU HA H 1 4.054 0.002 . 1 . . 583 . A 760 LEU HA . 30297 1 89 . 1 1 9 9 LEU HB2 H 1 1.775 0.012 . 2 . . 582 . A 760 LEU HB2 . 30297 1 90 . 1 1 9 9 LEU HB3 H 1 1.586 0.009 . 2 . . 1082 . A 760 LEU HB3 . 30297 1 91 . 1 1 9 9 LEU HG H 1 1.774 0.009 . 1 . . 1274 . A 760 LEU HG . 30297 1 92 . 1 1 9 9 LEU HD11 H 1 0.857 0.01 . 1 . . 696 . A 760 LEU HD11 . 30297 1 93 . 1 1 9 9 LEU HD12 H 1 0.857 0.01 . 1 . . 696 . A 760 LEU HD12 . 30297 1 94 . 1 1 9 9 LEU HD13 H 1 0.857 0.01 . 1 . . 696 . A 760 LEU HD13 . 30297 1 95 . 1 1 9 9 LEU C C 13 178.212 0.1 . 1 . . 512 . A 760 LEU C . 30297 1 96 . 1 1 9 9 LEU CA C 13 57.917 0.056 . 1 . . 699 . A 760 LEU CA . 30297 1 97 . 1 1 9 9 LEU CB C 13 41.874 0.048 . 1 . . 221 . A 760 LEU CB . 30297 1 98 . 1 1 9 9 LEU CG C 13 27.199 0.046 . 1 . . 700 . A 760 LEU CG . 30297 1 99 . 1 1 9 9 LEU CD1 C 13 24.154 0.014 . 2 . . 701 . A 760 LEU CD1 . 30297 1 100 . 1 1 9 9 LEU CD2 C 13 25.021 0.1 . 2 . . 702 . A 760 LEU CD2 . 30297 1 101 . 1 1 9 9 LEU N N 15 120.914 0.036 . 1 . . 30 . A 760 LEU N . 30297 1 102 . 1 1 10 10 ARG H H 1 8.325 0.005 . 1 . . 21 . A 761 ARG H . 30297 1 103 . 1 1 10 10 ARG HA H 1 3.665 0.012 . 1 . . 703 . A 761 ARG HA . 30297 1 104 . 1 1 10 10 ARG HB2 H 1 1.710 0.01 . 1 . . 1152 . A 761 ARG HB2 . 30297 1 105 . 1 1 10 10 ARG HB3 H 1 1.710 0.01 . 1 . . 1153 . A 761 ARG HB3 . 30297 1 106 . 1 1 10 10 ARG HG2 H 1 1.422 0.007 . 2 . . 1013 . A 761 ARG HG2 . 30297 1 107 . 1 1 10 10 ARG HG3 H 1 1.420 0.007 . 2 . . 1283 . A 761 ARG HG3 . 30297 1 108 . 1 1 10 10 ARG HD2 H 1 3.132 0.003 . 2 . . 881 . A 761 ARG HD2 . 30297 1 109 . 1 1 10 10 ARG HD3 H 1 3.131 0.01 . 2 . . 1267 . A 761 ARG HD3 . 30297 1 110 . 1 1 10 10 ARG C C 13 177.664 0.1 . 1 . . 794 . A 761 ARG C . 30297 1 111 . 1 1 10 10 ARG CA C 13 60.049 0.067 . 1 . . 268 . A 761 ARG CA . 30297 1 112 . 1 1 10 10 ARG CB C 13 29.709 0.08 . 1 . . 298 . A 761 ARG CB . 30297 1 113 . 1 1 10 10 ARG CG C 13 27.570 0.049 . 1 . . 704 . A 761 ARG CG . 30297 1 114 . 1 1 10 10 ARG CD C 13 43.543 0.039 . 1 . . 882 . A 761 ARG CD . 30297 1 115 . 1 1 10 10 ARG N N 15 119.080 0.041 . 1 . . 22 . A 761 ARG N . 30297 1 116 . 1 1 11 11 SER H H 1 7.850 0.002 . 1 . . 139 . A 762 SER H . 30297 1 117 . 1 1 11 11 SER HA H 1 4.198 0.001 . 1 . . 833 . A 762 SER HA . 30297 1 118 . 1 1 11 11 SER HB2 H 1 4.036 0.003 . 2 . . 913 . A 762 SER HB2 . 30297 1 119 . 1 1 11 11 SER HB3 H 1 3.939 0.006 . 2 . . 540 . A 762 SER HB3 . 30297 1 120 . 1 1 11 11 SER C C 13 175.779 0.1 . 1 . . 451 . A 762 SER C . 30297 1 121 . 1 1 11 11 SER CA C 13 61.613 0.059 . 1 . . 269 . A 762 SER CA . 30297 1 122 . 1 1 11 11 SER CB C 13 63.091 0.071 . 1 . . 267 . A 762 SER CB . 30297 1 123 . 1 1 11 11 SER N N 15 113.707 0.026 . 1 . . 140 . A 762 SER N . 30297 1 124 . 1 1 12 12 LEU H H 1 7.890 0.007 . 1 . . 198 . A 763 LEU H . 30297 1 125 . 1 1 12 12 LEU HA H 1 4.129 0.002 . 1 . . 706 . A 763 LEU HA . 30297 1 126 . 1 1 12 12 LEU HB2 H 1 1.771 0.01 . 1 . . 659 . A 763 LEU HB2 . 30297 1 127 . 1 1 12 12 LEU C C 13 178.040 0.1 . 1 . . 414 . A 763 LEU C . 30297 1 128 . 1 1 12 12 LEU CA C 13 57.646 0.059 . 1 . . 705 . A 763 LEU CA . 30297 1 129 . 1 1 12 12 LEU CB C 13 42.333 0.009 . 1 . . 348 . A 763 LEU CB . 30297 1 130 . 1 1 12 12 LEU CG C 13 27.084 0.1 . 1 . . 707 . A 763 LEU CG . 30297 1 131 . 1 1 12 12 LEU CD1 C 13 25.273 0.1 . 2 . . 708 . A 763 LEU CD1 . 30297 1 132 . 1 1 12 12 LEU CD2 C 13 24.178 0.1 . 2 . . 709 . A 763 LEU CD2 . 30297 1 133 . 1 1 12 12 LEU N N 15 122.003 0.049 . 1 . . 199 . A 763 LEU N . 30297 1 134 . 1 1 13 13 CYS H H 1 8.235 0.003 . 1 . . 101 . A 764 CYS H . 30297 1 135 . 1 1 13 13 CYS HA H 1 4.152 0.002 . 1 . . 748 . A 764 CYS HA . 30297 1 136 . 1 1 13 13 CYS HB2 H 1 2.762 0.009 . 2 . . 751 . A 764 CYS HB2 . 30297 1 137 . 1 1 13 13 CYS HB3 H 1 3.058 0.003 . 2 . . 750 . A 764 CYS HB3 . 30297 1 138 . 1 1 13 13 CYS C C 13 175.136 0.1 . 1 . . 443 . A 764 CYS C . 30297 1 139 . 1 1 13 13 CYS CA C 13 62.923 0.033 . 1 . . 521 . A 764 CYS CA . 30297 1 140 . 1 1 13 13 CYS CB C 13 27.041 0.022 . 1 . . 749 . A 764 CYS CB . 30297 1 141 . 1 1 13 13 CYS N N 15 118.167 0.015 . 1 . . 102 . A 764 CYS N . 30297 1 142 . 1 1 14 14 LEU H H 1 8.026 0.003 . 1 . . 93 . A 765 LEU H . 30297 1 143 . 1 1 14 14 LEU HA H 1 4.091 0.008 . 1 . . 586 . A 765 LEU HA . 30297 1 144 . 1 1 14 14 LEU HB2 H 1 1.681 0.01 . 1 . . 584 . A 765 LEU HB2 . 30297 1 145 . 1 1 14 14 LEU HG H 1 1.683 0.01 . 1 . . 1281 . A 765 LEU HG . 30297 1 146 . 1 1 14 14 LEU HD11 H 1 0.896 0.005 . 2 . . 1278 . A 765 LEU HD11 . 30297 1 147 . 1 1 14 14 LEU HD12 H 1 0.896 0.005 . 2 . . 1278 . A 765 LEU HD12 . 30297 1 148 . 1 1 14 14 LEU HD13 H 1 0.896 0.005 . 2 . . 1278 . A 765 LEU HD13 . 30297 1 149 . 1 1 14 14 LEU HD21 H 1 0.858 0.008 . 2 . . 1279 . A 765 LEU HD21 . 30297 1 150 . 1 1 14 14 LEU HD22 H 1 0.858 0.008 . 2 . . 1279 . A 765 LEU HD22 . 30297 1 151 . 1 1 14 14 LEU HD23 H 1 0.858 0.008 . 2 . . 1279 . A 765 LEU HD23 . 30297 1 152 . 1 1 14 14 LEU C C 13 177.610 0.1 . 1 . . 795 . A 765 LEU C . 30297 1 153 . 1 1 14 14 LEU CA C 13 57.708 0.069 . 1 . . 520 . A 765 LEU CA . 30297 1 154 . 1 1 14 14 LEU CB C 13 41.853 0.007 . 1 . . 333 . A 765 LEU CB . 30297 1 155 . 1 1 14 14 LEU CG C 13 27.230 0.1 . 1 . . 1282 . A 765 LEU CG . 30297 1 156 . 1 1 14 14 LEU CD1 C 13 24.976 0.021 . 2 . . 1277 . A 765 LEU CD1 . 30297 1 157 . 1 1 14 14 LEU CD2 C 13 23.889 0.031 . 2 . . 1280 . A 765 LEU CD2 . 30297 1 158 . 1 1 14 14 LEU N N 15 120.071 0.024 . 1 . . 94 . A 765 LEU N . 30297 1 159 . 1 1 15 15 PHE H H 1 8.037 0.002 . 1 . . 474 . A 766 PHE H . 30297 1 160 . 1 1 15 15 PHE HA H 1 4.489 0.005 . 1 . . 832 . A 766 PHE HA . 30297 1 161 . 1 1 15 15 PHE HB2 H 1 3.239 0.005 . 2 . . 543 . A 766 PHE HB2 . 30297 1 162 . 1 1 15 15 PHE HB3 H 1 3.242 0.003 . 2 . . 963 . A 766 PHE HB3 . 30297 1 163 . 1 1 15 15 PHE HD1 H 1 7.292 0.003 . 1 . . 1251 . A 766 PHE HD1 . 30297 1 164 . 1 1 15 15 PHE HD2 H 1 7.292 0.003 . 1 . . 1251 . A 766 PHE HD2 . 30297 1 165 . 1 1 15 15 PHE HE1 H 1 7.295 0.002 . 1 . . 1253 . A 766 PHE HE1 . 30297 1 166 . 1 1 15 15 PHE HE2 H 1 7.295 0.002 . 1 . . 1253 . A 766 PHE HE2 . 30297 1 167 . 1 1 15 15 PHE HZ H 1 7.251 0.003 . 1 . . 848 . A 766 PHE HZ . 30297 1 168 . 1 1 15 15 PHE C C 13 176.302 0.1 . 1 . . 377 . A 766 PHE C . 30297 1 169 . 1 1 15 15 PHE CA C 13 59.743 0.054 . 1 . . 476 . A 766 PHE CA . 30297 1 170 . 1 1 15 15 PHE CB C 13 39.476 0.025 . 1 . . 964 . A 766 PHE CB . 30297 1 171 . 1 1 15 15 PHE CD1 C 13 132.096 0.034 . 1 . . 1252 . A 766 PHE CD1 . 30297 1 172 . 1 1 15 15 PHE CD2 C 13 132.096 0.034 . 1 . . 1252 . A 766 PHE CD2 . 30297 1 173 . 1 1 15 15 PHE CE1 C 13 131.181 0.051 . 1 . . 1254 . A 766 PHE CE1 . 30297 1 174 . 1 1 15 15 PHE CE2 C 13 131.181 0.051 . 1 . . 1254 . A 766 PHE CE2 . 30297 1 175 . 1 1 15 15 PHE CZ C 13 129.501 0.1 . 1 . . 849 . A 766 PHE CZ . 30297 1 176 . 1 1 15 15 PHE N N 15 117.862 0.022 . 1 . . 475 . A 766 PHE N . 30297 1 177 . 1 1 16 16 SER H H 1 8.016 0.006 . 1 . . 136 . A 767 SER H . 30297 1 178 . 1 1 16 16 SER HA H 1 4.191 0.005 . 1 . . 1299 . A 767 SER HA . 30297 1 179 . 1 1 16 16 SER HB2 H 1 3.789 0.007 . 2 . . 1298 . A 767 SER HB2 . 30297 1 180 . 1 1 16 16 SER HB3 H 1 4.031 0.007 . 2 . . 1297 . A 767 SER HB3 . 30297 1 181 . 1 1 16 16 SER C C 13 174.554 0.1 . 1 . . 459 . A 767 SER C . 30297 1 182 . 1 1 16 16 SER CA C 13 60.717 0.036 . 1 . . 325 . A 767 SER CA . 30297 1 183 . 1 1 16 16 SER CB C 13 63.896 0.047 . 1 . . 1296 . A 767 SER CB . 30297 1 184 . 1 1 16 16 SER N N 15 114.512 0.032 . 1 . . 135 . A 767 SER N . 30297 1 185 . 1 1 17 17 TYR H H 1 8.318 0.003 . 1 . . 5 . A 768 TYR H . 30297 1 186 . 1 1 17 17 TYR HA H 1 4.157 0.01 . 1 . . 585 . A 768 TYR HA . 30297 1 187 . 1 1 17 17 TYR HB2 H 1 3.097 0.011 . 2 . . 542 . A 768 TYR HB2 . 30297 1 188 . 1 1 17 17 TYR HB3 H 1 3.084 0.012 . 2 . . 541 . A 768 TYR HB3 . 30297 1 189 . 1 1 17 17 TYR HD1 H 1 6.828 0.013 . 1 . . 1250 . A 768 TYR HD1 . 30297 1 190 . 1 1 17 17 TYR HD2 H 1 6.828 0.013 . 1 . . 1250 . A 768 TYR HD2 . 30297 1 191 . 1 1 17 17 TYR HE1 H 1 6.738 0.007 . 1 . . 1257 . A 768 TYR HE1 . 30297 1 192 . 1 1 17 17 TYR HE2 H 1 6.738 0.007 . 1 . . 1257 . A 768 TYR HE2 . 30297 1 193 . 1 1 17 17 TYR CA C 13 61.070 0.045 . 1 . . 314 . A 768 TYR CA . 30297 1 194 . 1 1 17 17 TYR CB C 13 38.456 0.059 . 1 . . 510 . A 768 TYR CB . 30297 1 195 . 1 1 17 17 TYR CD1 C 13 132.789 0.039 . 1 . . 1265 . A 768 TYR CD1 . 30297 1 196 . 1 1 17 17 TYR CD2 C 13 132.789 0.039 . 1 . . 1265 . A 768 TYR CD2 . 30297 1 197 . 1 1 17 17 TYR CE1 C 13 118.104 0.03 . 1 . . 1258 . A 768 TYR CE1 . 30297 1 198 . 1 1 17 17 TYR CE2 C 13 118.104 0.03 . 1 . . 1258 . A 768 TYR CE2 . 30297 1 199 . 1 1 17 17 TYR N N 15 122.025 0.012 . 1 . . 6 . A 768 TYR N . 30297 1 200 . 1 1 18 18 HIS HA H 1 4.091 0.004 . 1 . . 1109 . A 769 HIS HA . 30297 1 201 . 1 1 18 18 HIS HB2 H 1 3.189 0.004 . 2 . . 1106 . A 769 HIS HB2 . 30297 1 202 . 1 1 18 18 HIS HB3 H 1 3.145 0.001 . 2 . . 1105 . A 769 HIS HB3 . 30297 1 203 . 1 1 18 18 HIS HD2 H 1 7.110 0.013 . 1 . . 957 . A 769 HIS HD2 . 30297 1 204 . 1 1 18 18 HIS HE1 H 1 8.162 0.012 . 1 . . 840 . A 769 HIS HE1 . 30297 1 205 . 1 1 18 18 HIS C C 13 176.579 0.1 . 1 . . 1121 . A 769 HIS C . 30297 1 206 . 1 1 18 18 HIS CA C 13 58.973 0.036 . 1 . . 1107 . A 769 HIS CA . 30297 1 207 . 1 1 18 18 HIS CB C 13 29.500 0.051 . 1 . . 1104 . A 769 HIS CB . 30297 1 208 . 1 1 18 18 HIS CD2 C 13 119.461 0.052 . 1 . . 958 . A 769 HIS CD2 . 30297 1 209 . 1 1 18 18 HIS CE1 C 13 137.998 0.1 . 1 . . 841 . A 769 HIS CE1 . 30297 1 210 . 1 1 19 19 ARG H H 1 7.773 0.005 . 1 . . 165 . A 770 ARG H . 30297 1 211 . 1 1 19 19 ARG HA H 1 4.281 0.01 . 1 . . 1111 . A 770 ARG HA . 30297 1 212 . 1 1 19 19 ARG HB2 H 1 1.756 0.007 . 1 . . 1118 . A 770 ARG HB2 . 30297 1 213 . 1 1 19 19 ARG HB3 H 1 1.756 0.007 . 1 . . 1119 . A 770 ARG HB3 . 30297 1 214 . 1 1 19 19 ARG HG2 H 1 1.528 0.001 . 2 . . 1224 . A 770 ARG HG2 . 30297 1 215 . 1 1 19 19 ARG HG3 H 1 1.462 0.004 . 2 . . 1219 . A 770 ARG HG3 . 30297 1 216 . 1 1 19 19 ARG HD2 H 1 3.095 0.002 . 2 . . 1222 . A 770 ARG HD2 . 30297 1 217 . 1 1 19 19 ARG HD3 H 1 3.097 0.003 . 2 . . 1221 . A 770 ARG HD3 . 30297 1 218 . 1 1 19 19 ARG CA C 13 57.201 0.031 . 1 . . 791 . A 770 ARG CA . 30297 1 219 . 1 1 19 19 ARG CB C 13 30.155 0.043 . 1 . . 1110 . A 770 ARG CB . 30297 1 220 . 1 1 19 19 ARG CG C 13 26.763 0.004 . 1 . . 1223 . A 770 ARG CG . 30297 1 221 . 1 1 19 19 ARG CD C 13 42.889 0.077 . 1 . . 1220 . A 770 ARG CD . 30297 1 222 . 1 1 19 19 ARG N N 15 117.702 0.026 . 1 . . 166 . A 770 ARG N . 30297 1 223 . 1 1 21 21 ARG HB2 H 1 1.895 0.01 . 1 . . 1268 . A 772 ARG HB2 . 30297 1 224 . 1 1 21 21 ARG HG2 H 1 1.619 0.004 . 1 . . 1269 . A 772 ARG HG2 . 30297 1 225 . 1 1 21 21 ARG HD2 H 1 3.105 0.011 . 1 . . 1134 . A 772 ARG HD2 . 30297 1 226 . 1 1 21 21 ARG C C 13 176.168 0.1 . 1 . . 428 . A 772 ARG C . 30297 1 227 . 1 1 21 21 ARG CA C 13 57.469 0.1 . 1 . . 240 . A 772 ARG CA . 30297 1 228 . 1 1 21 21 ARG CB C 13 30.097 0.024 . 1 . . 789 . A 772 ARG CB . 30297 1 229 . 1 1 21 21 ARG CG C 13 27.224 0.001 . 1 . . 1270 . A 772 ARG CG . 30297 1 230 . 1 1 21 21 ARG CD C 13 43.330 0.121 . 1 . . 1225 . A 772 ARG CD . 30297 1 231 . 1 1 22 22 ASP H H 1 7.769 0.005 . 1 . . 63 . A 773 ASP H . 30297 1 232 . 1 1 22 22 ASP HA H 1 4.424 0.001 . 1 . . 821 . A 773 ASP HA . 30297 1 233 . 1 1 22 22 ASP HB2 H 1 2.610 0.01 . 2 . . 1108 . A 773 ASP HB2 . 30297 1 234 . 1 1 22 22 ASP HB3 H 1 2.836 0.007 . 2 . . 907 . A 773 ASP HB3 . 30297 1 235 . 1 1 22 22 ASP C C 13 178.038 0.1 . 1 . . 796 . A 773 ASP C . 30297 1 236 . 1 1 22 22 ASP CA C 13 57.550 0.037 . 1 . . 239 . A 773 ASP CA . 30297 1 237 . 1 1 22 22 ASP CB C 13 40.439 0.038 . 1 . . 347 . A 773 ASP CB . 30297 1 238 . 1 1 22 22 ASP N N 15 118.813 0.056 . 1 . . 64 . A 773 ASP N . 30297 1 239 . 1 1 23 23 LEU H H 1 7.922 0.003 . 1 . . 517 . A 774 LEU H . 30297 1 240 . 1 1 23 23 LEU HA H 1 4.077 0.01 . 1 . . 981 . A 774 LEU HA . 30297 1 241 . 1 1 23 23 LEU HB2 H 1 1.789 0.01 . 1 . . 980 . A 774 LEU HB2 . 30297 1 242 . 1 1 23 23 LEU C C 13 177.919 0.1 . 1 . . 418 . A 774 LEU C . 30297 1 243 . 1 1 23 23 LEU CA C 13 57.922 0.0 . 1 . . 519 . A 774 LEU CA . 30297 1 244 . 1 1 23 23 LEU CB C 13 41.815 0.003 . 1 . . 501 . A 774 LEU CB . 30297 1 245 . 1 1 23 23 LEU N N 15 119.775 0.008 . 1 . . 518 . A 774 LEU N . 30297 1 246 . 1 1 24 24 LEU H H 1 8.255 0.004 . 1 . . 315 . A 775 LEU H . 30297 1 247 . 1 1 24 24 LEU HA H 1 3.979 0.003 . 1 . . 1083 . A 775 LEU HA . 30297 1 248 . 1 1 24 24 LEU CA C 13 58.112 0.068 . 1 . . 509 . A 775 LEU CA . 30297 1 249 . 1 1 24 24 LEU CB C 13 41.315 0.1 . 1 . . 790 . A 775 LEU CB . 30297 1 250 . 1 1 24 24 LEU N N 15 118.642 0.043 . 1 . . 316 . A 775 LEU N . 30297 1 251 . 1 1 25 25 LEU C C 13 178.968 0.1 . 1 . . 439 . A 776 LEU C . 30297 1 252 . 1 1 25 25 LEU CA C 13 58.237 0.012 . 1 . . 752 . A 776 LEU CA . 30297 1 253 . 1 1 25 25 LEU CB C 13 41.539 0.041 . 1 . . 332 . A 776 LEU CB . 30297 1 254 . 1 1 26 26 ILE H H 1 7.749 0.004 . 1 . . 232 . A 777 ILE H . 30297 1 255 . 1 1 26 26 ILE HA H 1 3.795 0.006 . 1 . . 588 . A 777 ILE HA . 30297 1 256 . 1 1 26 26 ILE HB H 1 2.129 0.005 . 1 . . 590 . A 777 ILE HB . 30297 1 257 . 1 1 26 26 ILE HG12 H 1 1.805 0.002 . 2 . . 676 . A 777 ILE HG12 . 30297 1 258 . 1 1 26 26 ILE HG13 H 1 1.792 0.01 . 2 . . 1053 . A 777 ILE HG13 . 30297 1 259 . 1 1 26 26 ILE HG21 H 1 0.943 0.004 . 1 . . 677 . A 777 ILE HG21 . 30297 1 260 . 1 1 26 26 ILE HG22 H 1 0.943 0.004 . 1 . . 677 . A 777 ILE HG22 . 30297 1 261 . 1 1 26 26 ILE HG23 H 1 0.943 0.004 . 1 . . 677 . A 777 ILE HG23 . 30297 1 262 . 1 1 26 26 ILE HD11 H 1 0.896 0.002 . 1 . . 678 . A 777 ILE HD11 . 30297 1 263 . 1 1 26 26 ILE HD12 H 1 0.896 0.002 . 1 . . 678 . A 777 ILE HD12 . 30297 1 264 . 1 1 26 26 ILE HD13 H 1 0.896 0.002 . 1 . . 678 . A 777 ILE HD13 . 30297 1 265 . 1 1 26 26 ILE C C 13 177.189 0.1 . 1 . . 419 . A 777 ILE C . 30297 1 266 . 1 1 26 26 ILE CA C 13 64.945 0.023 . 1 . . 349 . A 777 ILE CA . 30297 1 267 . 1 1 26 26 ILE CB C 13 37.886 0.036 . 1 . . 350 . A 777 ILE CB . 30297 1 268 . 1 1 26 26 ILE CG1 C 13 29.295 0.043 . 1 . . 673 . A 777 ILE CG1 . 30297 1 269 . 1 1 26 26 ILE CG2 C 13 17.646 0.067 . 1 . . 674 . A 777 ILE CG2 . 30297 1 270 . 1 1 26 26 ILE CD1 C 13 13.436 0.062 . 1 . . 675 . A 777 ILE CD1 . 30297 1 271 . 1 1 26 26 ILE N N 15 119.405 0.051 . 1 . . 233 . A 777 ILE N . 30297 1 272 . 1 1 27 27 VAL H H 1 8.222 0.003 . 1 . . 99 . A 778 VAL H . 30297 1 273 . 1 1 27 27 VAL HA H 1 3.557 0.008 . 1 . . 710 . A 778 VAL HA . 30297 1 274 . 1 1 27 27 VAL HB H 1 2.235 0.002 . 1 . . 589 . A 778 VAL HB . 30297 1 275 . 1 1 27 27 VAL HG11 H 1 1.048 0.001 . 2 . . 860 . A 778 VAL HG11 . 30297 1 276 . 1 1 27 27 VAL HG12 H 1 1.048 0.001 . 2 . . 860 . A 778 VAL HG12 . 30297 1 277 . 1 1 27 27 VAL HG13 H 1 1.048 0.001 . 2 . . 860 . A 778 VAL HG13 . 30297 1 278 . 1 1 27 27 VAL HG21 H 1 0.921 0.01 . 2 . . 864 . A 778 VAL HG21 . 30297 1 279 . 1 1 27 27 VAL HG22 H 1 0.921 0.01 . 2 . . 864 . A 778 VAL HG22 . 30297 1 280 . 1 1 27 27 VAL HG23 H 1 0.921 0.01 . 2 . . 864 . A 778 VAL HG23 . 30297 1 281 . 1 1 27 27 VAL C C 13 177.039 0.1 . 1 . . 372 . A 778 VAL C . 30297 1 282 . 1 1 27 27 VAL CA C 13 67.291 0.036 . 1 . . 275 . A 778 VAL CA . 30297 1 283 . 1 1 27 27 VAL CB C 13 31.448 0.066 . 1 . . 274 . A 778 VAL CB . 30297 1 284 . 1 1 27 27 VAL CG1 C 13 23.141 0.022 . 2 . . 711 . A 778 VAL CG1 . 30297 1 285 . 1 1 27 27 VAL CG2 C 13 21.690 0.028 . 2 . . 712 . A 778 VAL CG2 . 30297 1 286 . 1 1 27 27 VAL N N 15 118.541 0.038 . 1 . . 100 . A 778 VAL N . 30297 1 287 . 1 1 28 28 THR H H 1 8.256 0.003 . 1 . . 145 . A 779 THR H . 30297 1 288 . 1 1 28 28 THR HA H 1 3.810 0.007 . 1 . . 987 . A 779 THR HA . 30297 1 289 . 1 1 28 28 THR HB H 1 4.313 0.01 . 1 . . 988 . A 779 THR HB . 30297 1 290 . 1 1 28 28 THR HG21 H 1 1.282 0.007 . 1 . . 982 . A 779 THR HG21 . 30297 1 291 . 1 1 28 28 THR HG22 H 1 1.282 0.007 . 1 . . 982 . A 779 THR HG22 . 30297 1 292 . 1 1 28 28 THR HG23 H 1 1.282 0.007 . 1 . . 982 . A 779 THR HG23 . 30297 1 293 . 1 1 28 28 THR C C 13 175.729 0.1 . 1 . . 452 . A 779 THR C . 30297 1 294 . 1 1 28 28 THR CA C 13 67.347 0.073 . 1 . . 503 . A 779 THR CA . 30297 1 295 . 1 1 28 28 THR CB C 13 68.600 0.037 . 1 . . 273 . A 779 THR CB . 30297 1 296 . 1 1 28 28 THR CG2 C 13 21.799 0.037 . 1 . . 983 . A 779 THR CG2 . 30297 1 297 . 1 1 28 28 THR N N 15 113.370 0.049 . 1 . . 146 . A 779 THR N . 30297 1 298 . 1 1 29 29 ARG H H 1 7.694 0.003 . 1 . . 49 . A 780 ARG H . 30297 1 299 . 1 1 29 29 ARG HA H 1 4.214 0.002 . 1 . . 713 . A 780 ARG HA . 30297 1 300 . 1 1 29 29 ARG HB2 H 1 1.970 0.01 . 2 . . 1084 . A 780 ARG HB2 . 30297 1 301 . 1 1 29 29 ARG HB3 H 1 2.092 0.0 . 2 . . 592 . A 780 ARG HB3 . 30297 1 302 . 1 1 29 29 ARG HD2 H 1 3.223 0.01 . 1 . . 883 . A 780 ARG HD2 . 30297 1 303 . 1 1 29 29 ARG C C 13 178.092 0.1 . 1 . . 424 . A 780 ARG C . 30297 1 304 . 1 1 29 29 ARG CA C 13 58.624 0.055 . 1 . . 230 . A 780 ARG CA . 30297 1 305 . 1 1 29 29 ARG CB C 13 29.836 0.061 . 1 . . 231 . A 780 ARG CB . 30297 1 306 . 1 1 29 29 ARG CG C 13 27.293 0.1 . 1 . . 715 . A 780 ARG CG . 30297 1 307 . 1 1 29 29 ARG CD C 13 43.344 0.019 . 1 . . 714 . A 780 ARG CD . 30297 1 308 . 1 1 29 29 ARG N N 15 120.921 0.02 . 1 . . 50 . A 780 ARG N . 30297 1 309 . 1 1 30 30 ILE H H 1 8.037 0.002 . 1 . . 89 . A 781 ILE H . 30297 1 310 . 1 1 30 30 ILE HA H 1 3.711 0.002 . 1 . . 594 . A 781 ILE HA . 30297 1 311 . 1 1 30 30 ILE HB H 1 2.098 0.006 . 1 . . 595 . A 781 ILE HB . 30297 1 312 . 1 1 30 30 ILE HG12 H 1 1.094 0.007 . 1 . . 668 . A 781 ILE HG12 . 30297 1 313 . 1 1 30 30 ILE HG21 H 1 0.889 0.002 . 1 . . 666 . A 781 ILE HG21 . 30297 1 314 . 1 1 30 30 ILE HG22 H 1 0.889 0.002 . 1 . . 666 . A 781 ILE HG22 . 30297 1 315 . 1 1 30 30 ILE HG23 H 1 0.889 0.002 . 1 . . 666 . A 781 ILE HG23 . 30297 1 316 . 1 1 30 30 ILE HD11 H 1 0.825 0.002 . 1 . . 681 . A 781 ILE HD11 . 30297 1 317 . 1 1 30 30 ILE HD12 H 1 0.825 0.002 . 1 . . 681 . A 781 ILE HD12 . 30297 1 318 . 1 1 30 30 ILE HD13 H 1 0.825 0.002 . 1 . . 681 . A 781 ILE HD13 . 30297 1 319 . 1 1 30 30 ILE C C 13 176.869 0.1 . 1 . . 420 . A 781 ILE C . 30297 1 320 . 1 1 30 30 ILE CA C 13 65.429 0.054 . 1 . . 334 . A 781 ILE CA . 30297 1 321 . 1 1 30 30 ILE CB C 13 37.673 0.067 . 1 . . 335 . A 781 ILE CB . 30297 1 322 . 1 1 30 30 ILE CG1 C 13 29.253 0.025 . 1 . . 665 . A 781 ILE CG1 . 30297 1 323 . 1 1 30 30 ILE CG2 C 13 17.552 0.043 . 1 . . 667 . A 781 ILE CG2 . 30297 1 324 . 1 1 30 30 ILE CD1 C 13 13.494 0.08 . 1 . . 664 . A 781 ILE CD1 . 30297 1 325 . 1 1 30 30 ILE N N 15 119.244 0.007 . 1 . . 90 . A 781 ILE N . 30297 1 326 . 1 1 31 31 VAL H H 1 8.221 0.004 . 1 . . 98 . A 782 VAL H . 30297 1 327 . 1 1 31 31 VAL HA H 1 3.533 0.001 . 1 . . 717 . A 782 VAL HA . 30297 1 328 . 1 1 31 31 VAL HB H 1 2.203 0.01 . 1 . . 596 . A 782 VAL HB . 30297 1 329 . 1 1 31 31 VAL HG11 H 1 0.870 0.002 . 2 . . 903 . A 782 VAL HG11 . 30297 1 330 . 1 1 31 31 VAL HG12 H 1 0.870 0.002 . 2 . . 903 . A 782 VAL HG12 . 30297 1 331 . 1 1 31 31 VAL HG13 H 1 0.870 0.002 . 2 . . 903 . A 782 VAL HG13 . 30297 1 332 . 1 1 31 31 VAL HG21 H 1 1.019 0.012 . 2 . . 904 . A 782 VAL HG21 . 30297 1 333 . 1 1 31 31 VAL HG22 H 1 1.019 0.012 . 2 . . 904 . A 782 VAL HG22 . 30297 1 334 . 1 1 31 31 VAL HG23 H 1 1.019 0.012 . 2 . . 904 . A 782 VAL HG23 . 30297 1 335 . 1 1 31 31 VAL C C 13 177.849 0.1 . 1 . . 425 . A 782 VAL C . 30297 1 336 . 1 1 31 31 VAL CA C 13 67.258 0.03 . 1 . . 716 . A 782 VAL CA . 30297 1 337 . 1 1 31 31 VAL CB C 13 31.385 0.04 . 1 . . 504 . A 782 VAL CB . 30297 1 338 . 1 1 31 31 VAL CG1 C 13 21.792 0.053 . 2 . . 757 . A 782 VAL CG1 . 30297 1 339 . 1 1 31 31 VAL CG2 C 13 23.231 0.01 . 2 . . 861 . A 782 VAL CG2 . 30297 1 340 . 1 1 31 31 VAL N N 15 118.932 0.027 . 1 . . 97 . A 782 VAL N . 30297 1 341 . 1 1 32 32 GLU H H 1 8.022 0.002 . 1 . . 91 . A 783 GLU H . 30297 1 342 . 1 1 32 32 GLU HA H 1 4.027 0.003 . 1 . . 718 . A 783 GLU HA . 30297 1 343 . 1 1 32 32 GLU HB2 H 1 2.151 0.009 . 2 . . 1035 . A 783 GLU HB2 . 30297 1 344 . 1 1 32 32 GLU HB3 H 1 2.202 0.01 . 2 . . 1049 . A 783 GLU HB3 . 30297 1 345 . 1 1 32 32 GLU HG2 H 1 2.477 0.012 . 2 . . 986 . A 783 GLU HG2 . 30297 1 346 . 1 1 32 32 GLU HG3 H 1 2.463 0.01 . 2 . . 1052 . A 783 GLU HG3 . 30297 1 347 . 1 1 32 32 GLU C C 13 178.074 0.1 . 1 . . 434 . A 783 GLU C . 30297 1 348 . 1 1 32 32 GLU CA C 13 59.548 0.053 . 1 . . 505 . A 783 GLU CA . 30297 1 349 . 1 1 32 32 GLU CB C 13 29.761 0.047 . 1 . . 506 . A 783 GLU CB . 30297 1 350 . 1 1 32 32 GLU CG C 13 36.458 0.026 . 1 . . 719 . A 783 GLU CG . 30297 1 351 . 1 1 32 32 GLU N N 15 119.477 0.031 . 1 . . 92 . A 783 GLU N . 30297 1 352 . 1 1 33 33 LEU H H 1 7.889 0.002 . 1 . . 249 . A 784 LEU H . 30297 1 353 . 1 1 33 33 LEU HA H 1 4.139 0.01 . 1 . . 597 . A 784 LEU HA . 30297 1 354 . 1 1 33 33 LEU HB2 H 1 1.663 0.012 . 2 . . 598 . A 784 LEU HB2 . 30297 1 355 . 1 1 33 33 LEU HB3 H 1 1.949 0.001 . 2 . . 1016 . A 784 LEU HB3 . 30297 1 356 . 1 1 33 33 LEU HD11 H 1 0.925 0.01 . 1 . . 599 . A 784 LEU HD11 . 30297 1 357 . 1 1 33 33 LEU HD12 H 1 0.925 0.01 . 1 . . 599 . A 784 LEU HD12 . 30297 1 358 . 1 1 33 33 LEU HD13 H 1 0.925 0.01 . 1 . . 599 . A 784 LEU HD13 . 30297 1 359 . 1 1 33 33 LEU C C 13 178.144 0.1 . 1 . . 405 . A 784 LEU C . 30297 1 360 . 1 1 33 33 LEU CA C 13 57.570 0.043 . 1 . . 331 . A 784 LEU CA . 30297 1 361 . 1 1 33 33 LEU CB C 13 42.586 0.018 . 1 . . 253 . A 784 LEU CB . 30297 1 362 . 1 1 33 33 LEU CG C 13 27.030 0.1 . 1 . . 1021 . A 784 LEU CG . 30297 1 363 . 1 1 33 33 LEU CD1 C 13 25.339 0.1 . 2 . . 1122 . A 784 LEU CD1 . 30297 1 364 . 1 1 33 33 LEU CD2 C 13 24.209 0.1 . 2 . . 1123 . A 784 LEU CD2 . 30297 1 365 . 1 1 33 33 LEU N N 15 119.294 0.009 . 1 . . 250 . A 784 LEU N . 30297 1 366 . 1 1 34 34 LEU H H 1 8.098 0.004 . 1 . . 127 . A 785 LEU H . 30297 1 367 . 1 1 34 34 LEU HA H 1 4.125 0.002 . 1 . . 600 . A 785 LEU HA . 30297 1 368 . 1 1 34 34 LEU HB2 H 1 1.882 0.003 . 2 . . 602 . A 785 LEU HB2 . 30297 1 369 . 1 1 34 34 LEU HB3 H 1 1.447 0.001 . 2 . . 1017 . A 785 LEU HB3 . 30297 1 370 . 1 1 34 34 LEU HD11 H 1 0.791 0.001 . 2 . . 890 . A 785 LEU HD11 . 30297 1 371 . 1 1 34 34 LEU HD12 H 1 0.791 0.001 . 2 . . 890 . A 785 LEU HD12 . 30297 1 372 . 1 1 34 34 LEU HD13 H 1 0.791 0.001 . 2 . . 890 . A 785 LEU HD13 . 30297 1 373 . 1 1 34 34 LEU HD21 H 1 0.805 0.002 . 2 . . 893 . A 785 LEU HD21 . 30297 1 374 . 1 1 34 34 LEU HD22 H 1 0.805 0.002 . 2 . . 893 . A 785 LEU HD22 . 30297 1 375 . 1 1 34 34 LEU HD23 H 1 0.805 0.002 . 2 . . 893 . A 785 LEU HD23 . 30297 1 376 . 1 1 34 34 LEU C C 13 178.191 0.1 . 1 . . 847 . A 785 LEU C . 30297 1 377 . 1 1 34 34 LEU CA C 13 56.907 0.036 . 1 . . 321 . A 785 LEU CA . 30297 1 378 . 1 1 34 34 LEU CB C 13 42.467 0.047 . 1 . . 322 . A 785 LEU CB . 30297 1 379 . 1 1 34 34 LEU CG C 13 26.832 0.071 . 1 . . 892 . A 785 LEU CG . 30297 1 380 . 1 1 34 34 LEU CD1 C 13 23.347 0.032 . 2 . . 889 . A 785 LEU CD1 . 30297 1 381 . 1 1 34 34 LEU CD2 C 13 25.757 0.036 . 2 . . 891 . A 785 LEU CD2 . 30297 1 382 . 1 1 34 34 LEU N N 15 117.461 0.012 . 1 . . 128 . A 785 LEU N . 30297 1 383 . 1 1 35 35 GLY H H 1 8.117 0.004 . 1 . . 845 . A 786 GLY H . 30297 1 384 . 1 1 35 35 GLY HA2 H 1 3.893 0.01 . 2 . . 825 . A 786 GLY HA2 . 30297 1 385 . 1 1 35 35 GLY HA3 H 1 3.962 0.01 . 2 . . 824 . A 786 GLY HA3 . 30297 1 386 . 1 1 35 35 GLY C C 13 175.556 0.1 . 1 . . 797 . A 786 GLY C . 30297 1 387 . 1 1 35 35 GLY CA C 13 46.207 0.015 . 1 . . 276 . A 786 GLY CA . 30297 1 388 . 1 1 35 35 GLY N N 15 105.712 0.03 . 1 . . 846 . A 786 GLY N . 30297 1 389 . 1 1 36 36 ARG H H 1 8.215 0.003 . 1 . . 319 . A 787 ARG H . 30297 1 390 . 1 1 36 36 ARG HA H 1 4.222 0.008 . 1 . . 721 . A 787 ARG HA . 30297 1 391 . 1 1 36 36 ARG HB2 H 1 1.965 0.004 . 2 . . 720 . A 787 ARG HB2 . 30297 1 392 . 1 1 36 36 ARG HB3 H 1 1.963 0.005 . 2 . . 1286 . A 787 ARG HB3 . 30297 1 393 . 1 1 36 36 ARG HD2 H 1 3.254 0.002 . 1 . . 884 . A 787 ARG HD2 . 30297 1 394 . 1 1 36 36 ARG C C 13 177.438 0.1 . 1 . . 402 . A 787 ARG C . 30297 1 395 . 1 1 36 36 ARG CA C 13 58.696 0.039 . 1 . . 345 . A 787 ARG CA . 30297 1 396 . 1 1 36 36 ARG CB C 13 30.435 0.053 . 1 . . 346 . A 787 ARG CB . 30297 1 397 . 1 1 36 36 ARG CG C 13 27.522 0.006 . 1 . . 722 . A 787 ARG CG . 30297 1 398 . 1 1 36 36 ARG CD C 13 43.442 0.023 . 1 . . 723 . A 787 ARG CD . 30297 1 399 . 1 1 36 36 ARG N N 15 120.359 0.057 . 1 . . 320 . A 787 ARG N . 30297 1 400 . 1 1 37 37 ARG H H 1 8.285 0.004 . 1 . . 121 . A 788 ARG H . 30297 1 401 . 1 1 37 37 ARG HA H 1 4.308 0.008 . 1 . . 724 . A 788 ARG HA . 30297 1 402 . 1 1 37 37 ARG HB2 H 1 1.932 0.01 . 1 . . 603 . A 788 ARG HB2 . 30297 1 403 . 1 1 37 37 ARG HG2 H 1 1.742 0.01 . 1 . . 604 . A 788 ARG HG2 . 30297 1 404 . 1 1 37 37 ARG HD2 H 1 3.233 0.01 . 1 . . 1284 . A 788 ARG HD2 . 30297 1 405 . 1 1 37 37 ARG HD3 H 1 3.233 0.01 . 1 . . 1285 . A 788 ARG HD3 . 30297 1 406 . 1 1 37 37 ARG C C 13 177.716 0.1 . 1 . . 371 . A 788 ARG C . 30297 1 407 . 1 1 37 37 ARG CA C 13 57.564 0.061 . 1 . . 216 . A 788 ARG CA . 30297 1 408 . 1 1 37 37 ARG CB C 13 30.468 0.032 . 1 . . 215 . A 788 ARG CB . 30297 1 409 . 1 1 37 37 ARG CG C 13 27.510 0.045 . 1 . . 726 . A 788 ARG CG . 30297 1 410 . 1 1 37 37 ARG CD C 13 43.236 0.013 . 1 . . 725 . A 788 ARG CD . 30297 1 411 . 1 1 37 37 ARG N N 15 117.339 0.044 . 1 . . 122 . A 788 ARG N . 30297 1 412 . 1 1 38 38 GLY H H 1 8.057 0.002 . 1 . . 153 . A 789 GLY H . 30297 1 413 . 1 1 38 38 GLY HA2 H 1 3.846 0.01 . 2 . . 827 . A 789 GLY HA2 . 30297 1 414 . 1 1 38 38 GLY HA3 H 1 3.966 0.01 . 2 . . 826 . A 789 GLY HA3 . 30297 1 415 . 1 1 38 38 GLY C C 13 173.851 0.1 . 1 . . 455 . A 789 GLY C . 30297 1 416 . 1 1 38 38 GLY CA C 13 46.715 0.011 . 1 . . 311 . A 789 GLY CA . 30297 1 417 . 1 1 38 38 GLY N N 15 107.143 0.032 . 1 . . 154 . A 789 GLY N . 30297 1 418 . 1 1 39 39 TRP H H 1 8.184 0.006 . 1 . . 31 . A 790 TRP H . 30297 1 419 . 1 1 39 39 TRP HA H 1 4.514 0.011 . 1 . . 836 . A 790 TRP HA . 30297 1 420 . 1 1 39 39 TRP HB2 H 1 3.345 0.01 . 2 . . 1061 . A 790 TRP HB2 . 30297 1 421 . 1 1 39 39 TRP HB3 H 1 3.349 0.01 . 2 . . 605 . A 790 TRP HB3 . 30297 1 422 . 1 1 39 39 TRP HD1 H 1 7.304 0.013 . 1 . . 917 . A 790 TRP HD1 . 30297 1 423 . 1 1 39 39 TRP HE1 H 1 10.481 0.01 . 1 . . 155 . A 790 TRP HE1 . 30297 1 424 . 1 1 39 39 TRP HE3 H 1 7.479 0.012 . 1 . . 1078 . A 790 TRP HE3 . 30297 1 425 . 1 1 39 39 TRP HZ2 H 1 7.464 0.013 . 1 . . 950 . A 790 TRP HZ2 . 30297 1 426 . 1 1 39 39 TRP HZ3 H 1 6.896 0.009 . 1 . . 853 . A 790 TRP HZ3 . 30297 1 427 . 1 1 39 39 TRP HH2 H 1 7.013 0.009 . 1 . . 937 . A 790 TRP HH2 . 30297 1 428 . 1 1 39 39 TRP C C 13 177.458 0.1 . 1 . . 400 . A 790 TRP C . 30297 1 429 . 1 1 39 39 TRP CA C 13 59.765 0.036 . 1 . . 318 . A 790 TRP CA . 30297 1 430 . 1 1 39 39 TRP CB C 13 29.797 0.1 . 1 . . 224 . A 790 TRP CB . 30297 1 431 . 1 1 39 39 TRP CD1 C 13 127.966 0.1 . 1 . . 918 . A 790 TRP CD1 . 30297 1 432 . 1 1 39 39 TRP CZ2 C 13 114.582 0.1 . 1 . . 952 . A 790 TRP CZ2 . 30297 1 433 . 1 1 39 39 TRP CH2 C 13 123.684 0.067 . 1 . . 938 . A 790 TRP CH2 . 30297 1 434 . 1 1 39 39 TRP N N 15 121.280 0.014 . 1 . . 32 . A 790 TRP N . 30297 1 435 . 1 1 39 39 TRP NE1 N 15 129.452 0.1 . 1 . . 156 . A 790 TRP NE1 . 30297 1 436 . 1 1 40 40 GLU H H 1 8.417 0.003 . 1 . . 213 . A 791 GLU H . 30297 1 437 . 1 1 40 40 GLU HA H 1 3.906 0.01 . 1 . . 728 . A 791 GLU HA . 30297 1 438 . 1 1 40 40 GLU HB2 H 1 2.111 0.01 . 2 . . 1050 . A 791 GLU HB2 . 30297 1 439 . 1 1 40 40 GLU HB3 H 1 2.109 0.01 . 2 . . 606 . A 791 GLU HB3 . 30297 1 440 . 1 1 40 40 GLU HG2 H 1 2.384 0.007 . 2 . . 965 . A 791 GLU HG2 . 30297 1 441 . 1 1 40 40 GLU HG3 H 1 2.398 0.01 . 2 . . 1051 . A 791 GLU HG3 . 30297 1 442 . 1 1 40 40 GLU C C 13 178.705 0.1 . 1 . . 465 . A 791 GLU C . 30297 1 443 . 1 1 40 40 GLU CA C 13 59.582 0.081 . 1 . . 317 . A 791 GLU CA . 30297 1 444 . 1 1 40 40 GLU CB C 13 29.215 0.016 . 1 . . 727 . A 791 GLU CB . 30297 1 445 . 1 1 40 40 GLU CG C 13 36.617 0.035 . 1 . . 966 . A 791 GLU CG . 30297 1 446 . 1 1 40 40 GLU N N 15 117.453 0.014 . 1 . . 214 . A 791 GLU N . 30297 1 447 . 1 1 41 41 ALA H H 1 7.807 0.001 . 1 . . 45 . A 792 ALA H . 30297 1 448 . 1 1 41 41 ALA HA H 1 4.150 0.008 . 1 . . 805 . A 792 ALA HA . 30297 1 449 . 1 1 41 41 ALA HB1 H 1 1.448 0.002 . 1 . . 971 . A 792 ALA HB1 . 30297 1 450 . 1 1 41 41 ALA HB2 H 1 1.448 0.002 . 1 . . 971 . A 792 ALA HB2 . 30297 1 451 . 1 1 41 41 ALA HB3 H 1 1.448 0.002 . 1 . . 971 . A 792 ALA HB3 . 30297 1 452 . 1 1 41 41 ALA C C 13 178.206 0.1 . 1 . . 397 . A 792 ALA C . 30297 1 453 . 1 1 41 41 ALA CA C 13 54.920 0.062 . 1 . . 804 . A 792 ALA CA . 30297 1 454 . 1 1 41 41 ALA CB C 13 18.504 0.029 . 1 . . 972 . A 792 ALA CB . 30297 1 455 . 1 1 41 41 ALA N N 15 121.527 0.025 . 1 . . 46 . A 792 ALA N . 30297 1 456 . 1 1 42 42 LEU H H 1 7.755 0.003 . 1 . . 75 . A 793 LEU H . 30297 1 457 . 1 1 42 42 LEU HA H 1 4.194 0.002 . 1 . . 729 . A 793 LEU HA . 30297 1 458 . 1 1 42 42 LEU HB2 H 1 1.835 0.01 . 2 . . 607 . A 793 LEU HB2 . 30297 1 459 . 1 1 42 42 LEU HB3 H 1 1.845 0.01 . 2 . . 1086 . A 793 LEU HB3 . 30297 1 460 . 1 1 42 42 LEU HG H 1 1.635 0.01 . 1 . . 608 . A 793 LEU HG . 30297 1 461 . 1 1 42 42 LEU HD11 H 1 0.890 0.01 . 1 . . 609 . A 793 LEU HD11 . 30297 1 462 . 1 1 42 42 LEU HD12 H 1 0.890 0.01 . 1 . . 609 . A 793 LEU HD12 . 30297 1 463 . 1 1 42 42 LEU HD13 H 1 0.890 0.01 . 1 . . 609 . A 793 LEU HD13 . 30297 1 464 . 1 1 42 42 LEU C C 13 177.986 0.1 . 1 . . 408 . A 793 LEU C . 30297 1 465 . 1 1 42 42 LEU CA C 13 57.947 0.065 . 1 . . 302 . A 793 LEU CA . 30297 1 466 . 1 1 42 42 LEU CB C 13 41.851 0.029 . 1 . . 303 . A 793 LEU CB . 30297 1 467 . 1 1 42 42 LEU CG C 13 27.243 0.1 . 1 . . 730 . A 793 LEU CG . 30297 1 468 . 1 1 42 42 LEU CD1 C 13 24.732 0.001 . 2 . . 732 . A 793 LEU CD1 . 30297 1 469 . 1 1 42 42 LEU CD2 C 13 25.663 0.1 . 2 . . 731 . A 793 LEU CD2 . 30297 1 470 . 1 1 42 42 LEU N N 15 116.956 0.033 . 1 . . 76 . A 793 LEU N . 30297 1 471 . 1 1 43 43 LYS H H 1 7.990 0.002 . 1 . . 106 . A 794 LYS H . 30297 1 472 . 1 1 43 43 LYS HA H 1 3.871 0.009 . 1 . . 977 . A 794 LYS HA . 30297 1 473 . 1 1 43 43 LYS HB2 H 1 1.776 0.005 . 2 . . 1289 . A 794 LYS HB2 . 30297 1 474 . 1 1 43 43 LYS HB3 H 1 1.724 0.003 . 2 . . 758 . A 794 LYS HB3 . 30297 1 475 . 1 1 43 43 LYS HG2 H 1 1.270 0.001 . 2 . . 760 . A 794 LYS HG2 . 30297 1 476 . 1 1 43 43 LYS HG3 H 1 1.326 0.001 . 2 . . 1288 . A 794 LYS HG3 . 30297 1 477 . 1 1 43 43 LYS HD2 H 1 1.645 0.002 . 2 . . 1056 . A 794 LYS HD2 . 30297 1 478 . 1 1 43 43 LYS HD3 H 1 1.645 0.002 . 2 . . 1057 . A 794 LYS HD3 . 30297 1 479 . 1 1 43 43 LYS HE2 H 1 2.873 0.01 . 2 . . 1290 . A 794 LYS HE2 . 30297 1 480 . 1 1 43 43 LYS HE3 H 1 2.877 0.014 . 2 . . 1291 . A 794 LYS HE3 . 30297 1 481 . 1 1 43 43 LYS C C 13 177.771 0.1 . 1 . . 437 . A 794 LYS C . 30297 1 482 . 1 1 43 43 LYS CA C 13 60.228 0.064 . 1 . . 978 . A 794 LYS CA . 30297 1 483 . 1 1 43 43 LYS CB C 13 32.210 0.029 . 1 . . 301 . A 794 LYS CB . 30297 1 484 . 1 1 43 43 LYS CG C 13 25.080 0.033 . 1 . . 733 . A 794 LYS CG . 30297 1 485 . 1 1 43 43 LYS CD C 13 29.537 0.061 . 1 . . 967 . A 794 LYS CD . 30297 1 486 . 1 1 43 43 LYS CE C 13 41.938 0.085 . 1 . . 915 . A 794 LYS CE . 30297 1 487 . 1 1 43 43 LYS N N 15 117.875 0.019 . 1 . . 105 . A 794 LYS N . 30297 1 488 . 1 1 44 44 TYR H H 1 7.795 0.003 . 1 . . 59 . A 795 TYR H . 30297 1 489 . 1 1 44 44 TYR HA H 1 4.214 0.011 . 1 . . 610 . A 795 TYR HA . 30297 1 490 . 1 1 44 44 TYR HB2 H 1 2.995 0.01 . 2 . . 661 . A 795 TYR HB2 . 30297 1 491 . 1 1 44 44 TYR HB3 H 1 3.113 0.01 . 2 . . 660 . A 795 TYR HB3 . 30297 1 492 . 1 1 44 44 TYR HD1 H 1 6.646 0.015 . 1 . . 1247 . A 795 TYR HD1 . 30297 1 493 . 1 1 44 44 TYR HD2 H 1 6.646 0.015 . 1 . . 1247 . A 795 TYR HD2 . 30297 1 494 . 1 1 44 44 TYR HE1 H 1 6.452 0.013 . 1 . . 1246 . A 795 TYR HE1 . 30297 1 495 . 1 1 44 44 TYR HE2 H 1 6.452 0.013 . 1 . . 1246 . A 795 TYR HE2 . 30297 1 496 . 1 1 44 44 TYR C C 13 176.694 0.1 . 1 . . 445 . A 795 TYR C . 30297 1 497 . 1 1 44 44 TYR CA C 13 61.248 0.063 . 1 . . 234 . A 795 TYR CA . 30297 1 498 . 1 1 44 44 TYR CB C 13 38.117 0.1 . 1 . . 236 . A 795 TYR CB . 30297 1 499 . 1 1 44 44 TYR CD1 C 13 133.135 0.1 . 1 . . 844 . A 795 TYR CD1 . 30297 1 500 . 1 1 44 44 TYR CD2 C 13 133.135 0.1 . 1 . . 844 . A 795 TYR CD2 . 30297 1 501 . 1 1 44 44 TYR CE1 C 13 118.198 0.02 . 1 . . 1261 . A 795 TYR CE1 . 30297 1 502 . 1 1 44 44 TYR CE2 C 13 118.198 0.02 . 1 . . 1261 . A 795 TYR CE2 . 30297 1 503 . 1 1 44 44 TYR N N 15 119.659 0.028 . 1 . . 60 . A 795 TYR N . 30297 1 504 . 1 1 45 45 TRP H H 1 8.070 0.008 . 1 . . 351 . A 796 TRP H . 30297 1 505 . 1 1 45 45 TRP HA H 1 4.314 0.003 . 1 . . 979 . A 796 TRP HA . 30297 1 506 . 1 1 45 45 TRP HB2 H 1 3.369 0.01 . 1 . . 611 . A 796 TRP HB2 . 30297 1 507 . 1 1 45 45 TRP HB3 H 1 3.369 0.01 . 1 . . 1062 . A 796 TRP HB3 . 30297 1 508 . 1 1 45 45 TRP HD1 H 1 7.308 0.004 . 1 . . 923 . A 796 TRP HD1 . 30297 1 509 . 1 1 45 45 TRP HE1 H 1 10.458 0.01 . 1 . . 159 . A 796 TRP HE1 . 30297 1 510 . 1 1 45 45 TRP HE3 H 1 7.532 0.009 . 1 . . 1275 . A 796 TRP HE3 . 30297 1 511 . 1 1 45 45 TRP HZ2 H 1 7.453 0.002 . 1 . . 946 . A 796 TRP HZ2 . 30297 1 512 . 1 1 45 45 TRP HZ3 H 1 7.007 0.0 . 1 . . 850 . A 796 TRP HZ3 . 30297 1 513 . 1 1 45 45 TRP HH2 H 1 7.127 0.003 . 1 . . 930 . A 796 TRP HH2 . 30297 1 514 . 1 1 45 45 TRP C C 13 177.355 0.1 . 1 . . 447 . A 796 TRP C . 30297 1 515 . 1 1 45 45 TRP CA C 13 60.159 0.061 . 1 . . 487 . A 796 TRP CA . 30297 1 516 . 1 1 45 45 TRP CB C 13 29.363 0.1 . 1 . . 208 . A 796 TRP CB . 30297 1 517 . 1 1 45 45 TRP CD1 C 13 126.148 0.039 . 1 . . 925 . A 796 TRP CD1 . 30297 1 518 . 1 1 45 45 TRP CE3 C 13 120.488 0.013 . 1 . . 954 . A 796 TRP CE3 . 30297 1 519 . 1 1 45 45 TRP CZ2 C 13 114.451 0.1 . 1 . . 947 . A 796 TRP CZ2 . 30297 1 520 . 1 1 45 45 TRP CH2 C 13 123.931 0.1 . 1 . . 931 . A 796 TRP CH2 . 30297 1 521 . 1 1 45 45 TRP N N 15 119.811 0.019 . 1 . . 352 . A 796 TRP N . 30297 1 522 . 1 1 45 45 TRP NE1 N 15 129.442 0.1 . 1 . . 160 . A 796 TRP NE1 . 30297 1 523 . 1 1 46 46 TRP H H 1 8.674 0.004 . 1 . . 13 . A 797 TRP H . 30297 1 524 . 1 1 46 46 TRP HA H 1 4.460 0.01 . 1 . . 837 . A 797 TRP HA . 30297 1 525 . 1 1 46 46 TRP HB2 H 1 3.358 0.01 . 2 . . 662 . A 797 TRP HB2 . 30297 1 526 . 1 1 46 46 TRP HB3 H 1 3.368 0.01 . 2 . . 1063 . A 797 TRP HB3 . 30297 1 527 . 1 1 46 46 TRP HD1 H 1 7.138 0.003 . 1 . . 926 . A 797 TRP HD1 . 30297 1 528 . 1 1 46 46 TRP HE1 H 1 10.285 0.01 . 1 . . 158 . A 797 TRP HE1 . 30297 1 529 . 1 1 46 46 TRP HE3 H 1 7.496 0.02 . 1 . . 948 . A 797 TRP HE3 . 30297 1 530 . 1 1 46 46 TRP HZ2 H 1 7.448 0.013 . 1 . . 1124 . A 797 TRP HZ2 . 30297 1 531 . 1 1 46 46 TRP HZ3 H 1 6.886 0.0 . 1 . . 854 . A 797 TRP HZ3 . 30297 1 532 . 1 1 46 46 TRP HH2 H 1 7.003 0.0 . 1 . . 932 . A 797 TRP HH2 . 30297 1 533 . 1 1 46 46 TRP C C 13 177.240 0.1 . 1 . . 386 . A 797 TRP C . 30297 1 534 . 1 1 46 46 TRP CA C 13 60.048 0.062 . 1 . . 304 . A 797 TRP CA . 30297 1 535 . 1 1 46 46 TRP CB C 13 30.208 0.004 . 1 . . 207 . A 797 TRP CB . 30297 1 536 . 1 1 46 46 TRP CD1 C 13 127.320 0.027 . 1 . . 927 . A 797 TRP CD1 . 30297 1 537 . 1 1 46 46 TRP CZ2 C 13 114.436 0.1 . 1 . . 949 . A 797 TRP CZ2 . 30297 1 538 . 1 1 46 46 TRP CH2 C 13 123.796 0.1 . 1 . . 933 . A 797 TRP CH2 . 30297 1 539 . 1 1 46 46 TRP N N 15 120.065 0.048 . 1 . . 14 . A 797 TRP N . 30297 1 540 . 1 1 46 46 TRP NE1 N 15 129.281 0.1 . 1 . . 157 . A 797 TRP NE1 . 30297 1 541 . 1 1 47 47 ASN H H 1 8.172 0.003 . 1 . . 115 . A 798 ASN H . 30297 1 542 . 1 1 47 47 ASN HA H 1 4.272 0.003 . 1 . . 814 . A 798 ASN HA . 30297 1 543 . 1 1 47 47 ASN HB2 H 1 2.684 0.005 . 2 . . 910 . A 798 ASN HB2 . 30297 1 544 . 1 1 47 47 ASN HB3 H 1 2.877 0.005 . 2 . . 612 . A 798 ASN HB3 . 30297 1 545 . 1 1 47 47 ASN HD21 H 1 7.386 0.01 . 1 . . 565 . A 798 ASN HD21 . 30297 1 546 . 1 1 47 47 ASN HD22 H 1 6.880 0.01 . 1 . . 571 . A 798 ASN HD22 . 30297 1 547 . 1 1 47 47 ASN C C 13 177.529 0.1 . 1 . . 464 . A 798 ASN C . 30297 1 548 . 1 1 47 47 ASN CA C 13 56.397 0.067 . 1 . . 305 . A 798 ASN CA . 30297 1 549 . 1 1 47 47 ASN CB C 13 38.393 0.037 . 1 . . 306 . A 798 ASN CB . 30297 1 550 . 1 1 47 47 ASN N N 15 116.356 0.027 . 1 . . 116 . A 798 ASN N . 30297 1 551 . 1 1 47 47 ASN ND2 N 15 111.191 0.002 . 1 . . 566 . A 798 ASN ND2 . 30297 1 552 . 1 1 48 48 LEU H H 1 7.747 0.003 . 1 . . 47 . A 799 LEU H . 30297 1 553 . 1 1 48 48 LEU HA H 1 4.006 0.01 . 1 . . 870 . A 799 LEU HA . 30297 1 554 . 1 1 48 48 LEU HB2 H 1 1.612 0.008 . 2 . . 1140 . A 799 LEU HB2 . 30297 1 555 . 1 1 48 48 LEU HB3 H 1 1.402 0.004 . 2 . . 869 . A 799 LEU HB3 . 30297 1 556 . 1 1 48 48 LEU HG H 1 1.375 0.007 . 1 . . 613 . A 799 LEU HG . 30297 1 557 . 1 1 48 48 LEU HD11 H 1 0.667 0.005 . 2 . . 867 . A 799 LEU HD11 . 30297 1 558 . 1 1 48 48 LEU HD12 H 1 0.667 0.005 . 2 . . 867 . A 799 LEU HD12 . 30297 1 559 . 1 1 48 48 LEU HD13 H 1 0.667 0.005 . 2 . . 867 . A 799 LEU HD13 . 30297 1 560 . 1 1 48 48 LEU HD21 H 1 0.715 0.003 . 2 . . 901 . A 799 LEU HD21 . 30297 1 561 . 1 1 48 48 LEU HD22 H 1 0.715 0.003 . 2 . . 901 . A 799 LEU HD22 . 30297 1 562 . 1 1 48 48 LEU HD23 H 1 0.715 0.003 . 2 . . 901 . A 799 LEU HD23 . 30297 1 563 . 1 1 48 48 LEU C C 13 177.911 0.1 . 1 . . 422 . A 799 LEU C . 30297 1 564 . 1 1 48 48 LEU CA C 13 57.991 0.057 . 1 . . 229 . A 799 LEU CA . 30297 1 565 . 1 1 48 48 LEU CB C 13 41.943 0.041 . 1 . . 1139 . A 799 LEU CB . 30297 1 566 . 1 1 48 48 LEU CG C 13 26.721 0.028 . 1 . . 868 . A 799 LEU CG . 30297 1 567 . 1 1 48 48 LEU CD1 C 13 25.199 0.032 . 2 . . 866 . A 799 LEU CD1 . 30297 1 568 . 1 1 48 48 LEU CD2 C 13 24.244 0.029 . 2 . . 902 . A 799 LEU CD2 . 30297 1 569 . 1 1 48 48 LEU N N 15 121.402 0.044 . 1 . . 48 . A 799 LEU N . 30297 1 570 . 1 1 49 49 LEU H H 1 8.101 0.003 . 1 . . 95 . A 800 LEU H . 30297 1 571 . 1 1 49 49 LEU HA H 1 3.992 0.002 . 1 . . 549 . A 800 LEU HA . 30297 1 572 . 1 1 49 49 LEU HB2 H 1 1.711 0.003 . 2 . . 614 . A 800 LEU HB2 . 30297 1 573 . 1 1 49 49 LEU HB3 H 1 1.711 0.01 . 2 . . 1079 . A 800 LEU HB3 . 30297 1 574 . 1 1 49 49 LEU C C 13 178.790 0.1 . 1 . . 406 . A 800 LEU C . 30297 1 575 . 1 1 49 49 LEU CA C 13 58.044 0.063 . 1 . . 308 . A 800 LEU CA . 30297 1 576 . 1 1 49 49 LEU CB C 13 41.544 0.017 . 1 . . 307 . A 800 LEU CB . 30297 1 577 . 1 1 49 49 LEU CG C 13 27.291 0.1 . 1 . . 1022 . A 800 LEU CG . 30297 1 578 . 1 1 49 49 LEU CD1 C 13 24.989 0.1 . 2 . . 1023 . A 800 LEU CD1 . 30297 1 579 . 1 1 49 49 LEU CD2 C 13 23.992 0.1 . 2 . . 1024 . A 800 LEU CD2 . 30297 1 580 . 1 1 49 49 LEU N N 15 119.046 0.021 . 1 . . 96 . A 800 LEU N . 30297 1 581 . 1 1 50 50 GLN H H 1 7.960 0.003 . 1 . . 107 . A 801 GLN H . 30297 1 582 . 1 1 50 50 GLN HA H 1 3.684 0.002 . 1 . . 734 . A 801 GLN HA . 30297 1 583 . 1 1 50 50 GLN HB2 H 1 1.822 0.002 . 2 . . 615 . A 801 GLN HB2 . 30297 1 584 . 1 1 50 50 GLN HB3 H 1 1.824 0.01 . 2 . . 1043 . A 801 GLN HB3 . 30297 1 585 . 1 1 50 50 GLN HG2 H 1 1.768 0.003 . 2 . . 1292 . A 801 GLN HG2 . 30297 1 586 . 1 1 50 50 GLN HG3 H 1 1.824 0.003 . 2 . . 1293 . A 801 GLN HG3 . 30297 1 587 . 1 1 50 50 GLN HE21 H 1 6.407 0.01 . 1 . . 569 . A 801 GLN HE21 . 30297 1 588 . 1 1 50 50 GLN HE22 H 1 6.314 0.01 . 1 . . 576 . A 801 GLN HE22 . 30297 1 589 . 1 1 50 50 GLN C C 13 177.698 0.1 . 1 . . 438 . A 801 GLN C . 30297 1 590 . 1 1 50 50 GLN CA C 13 59.245 0.046 . 1 . . 309 . A 801 GLN CA . 30297 1 591 . 1 1 50 50 GLN CB C 13 28.818 0.02 . 1 . . 310 . A 801 GLN CB . 30297 1 592 . 1 1 50 50 GLN CG C 13 33.923 0.039 . 1 . . 1010 . A 801 GLN CG . 30297 1 593 . 1 1 50 50 GLN N N 15 117.537 0.051 . 1 . . 108 . A 801 GLN N . 30297 1 594 . 1 1 50 50 GLN NE2 N 15 110.244 0.0 . 1 . . 570 . A 801 GLN NE2 . 30297 1 595 . 1 1 51 51 TYR H H 1 7.765 0.002 . 1 . . 56 . A 802 TYR H . 30297 1 596 . 1 1 51 51 TYR HA H 1 4.179 0.008 . 1 . . 1009 . A 802 TYR HA . 30297 1 597 . 1 1 51 51 TYR HB2 H 1 2.988 0.01 . 2 . . 1065 . A 802 TYR HB2 . 30297 1 598 . 1 1 51 51 TYR HB3 H 1 2.990 0.01 . 2 . . 616 . A 802 TYR HB3 . 30297 1 599 . 1 1 51 51 TYR HD1 H 1 6.711 0.015 . 1 . . 1248 . A 802 TYR HD1 . 30297 1 600 . 1 1 51 51 TYR HD2 H 1 6.711 0.015 . 1 . . 1248 . A 802 TYR HD2 . 30297 1 601 . 1 1 51 51 TYR HE1 H 1 6.488 0.018 . 1 . . 1259 . A 802 TYR HE1 . 30297 1 602 . 1 1 51 51 TYR HE2 H 1 6.488 0.018 . 1 . . 1259 . A 802 TYR HE2 . 30297 1 603 . 1 1 51 51 TYR C C 13 177.106 0.1 . 1 . . 421 . A 802 TYR C . 30297 1 604 . 1 1 51 51 TYR CA C 13 60.919 0.042 . 1 . . 299 . A 802 TYR CA . 30297 1 605 . 1 1 51 51 TYR CB C 13 37.960 0.022 . 1 . . 300 . A 802 TYR CB . 30297 1 606 . 1 1 51 51 TYR CD1 C 13 133.021 0.1 . 1 . . 843 . A 802 TYR CD1 . 30297 1 607 . 1 1 51 51 TYR CD2 C 13 133.021 0.1 . 1 . . 843 . A 802 TYR CD2 . 30297 1 608 . 1 1 51 51 TYR CE1 C 13 118.224 0.018 . 1 . . 1260 . A 802 TYR CE1 . 30297 1 609 . 1 1 51 51 TYR CE2 C 13 118.224 0.018 . 1 . . 1260 . A 802 TYR CE2 . 30297 1 610 . 1 1 51 51 TYR N N 15 120.068 0.004 . 1 . . 55 . A 802 TYR N . 30297 1 611 . 1 1 52 52 TRP H H 1 8.375 0.002 . 1 . . 19 . A 803 TRP H . 30297 1 612 . 1 1 52 52 TRP HA H 1 4.384 0.011 . 1 . . 537 . A 803 TRP HA . 30297 1 613 . 1 1 52 52 TRP HB2 H 1 3.339 0.004 . 2 . . 1141 . A 803 TRP HB2 . 30297 1 614 . 1 1 52 52 TRP HB3 H 1 3.199 0.002 . 2 . . 617 . A 803 TRP HB3 . 30297 1 615 . 1 1 52 52 TRP HD1 H 1 7.275 0.004 . 1 . . 921 . A 803 TRP HD1 . 30297 1 616 . 1 1 52 52 TRP HE1 H 1 10.362 0.01 . 1 . . 536 . A 803 TRP HE1 . 30297 1 617 . 1 1 52 52 TRP HE3 H 1 7.473 0.009 . 1 . . 1276 . A 803 TRP HE3 . 30297 1 618 . 1 1 52 52 TRP HZ2 H 1 7.483 0.004 . 1 . . 941 . A 803 TRP HZ2 . 30297 1 619 . 1 1 52 52 TRP HZ3 H 1 6.989 0.006 . 1 . . 851 . A 803 TRP HZ3 . 30297 1 620 . 1 1 52 52 TRP HH2 H 1 7.150 0.003 . 1 . . 928 . A 803 TRP HH2 . 30297 1 621 . 1 1 52 52 TRP C C 13 177.310 0.1 . 1 . . 375 . A 803 TRP C . 30297 1 622 . 1 1 52 52 TRP CA C 13 59.547 0.107 . 1 . . 511 . A 803 TRP CA . 30297 1 623 . 1 1 52 52 TRP CB C 13 29.360 0.018 . 1 . . 1064 . A 803 TRP CB . 30297 1 624 . 1 1 52 52 TRP CD1 C 13 126.101 0.034 . 1 . . 922 . A 803 TRP CD1 . 30297 1 625 . 1 1 52 52 TRP CE3 C 13 120.323 0.1 . 1 . . 956 . A 803 TRP CE3 . 30297 1 626 . 1 1 52 52 TRP CZ2 C 13 114.885 0.053 . 1 . . 942 . A 803 TRP CZ2 . 30297 1 627 . 1 1 52 52 TRP CH2 C 13 124.101 0.1 . 1 . . 929 . A 803 TRP CH2 . 30297 1 628 . 1 1 52 52 TRP N N 15 119.341 0.051 . 1 . . 20 . A 803 TRP N . 30297 1 629 . 1 1 52 52 TRP NE1 N 15 128.405 0.1 . 1 . . 535 . A 803 TRP NE1 . 30297 1 630 . 1 1 53 53 SER H H 1 8.162 0.007 . 1 . . 137 . A 804 SER H . 30297 1 631 . 1 1 53 53 SER HA H 1 4.011 0.002 . 1 . . 736 . A 804 SER HA . 30297 1 632 . 1 1 53 53 SER HB2 H 1 3.940 0.004 . 2 . . 1089 . A 804 SER HB2 . 30297 1 633 . 1 1 53 53 SER HB3 H 1 3.891 0.002 . 2 . . 737 . A 804 SER HB3 . 30297 1 634 . 1 1 53 53 SER C C 13 175.157 0.1 . 1 . . 539 . A 804 SER C . 30297 1 635 . 1 1 53 53 SER CA C 13 62.088 0.053 . 1 . . 324 . A 804 SER CA . 30297 1 636 . 1 1 53 53 SER CB C 13 63.129 0.022 . 1 . . 538 . A 804 SER CB . 30297 1 637 . 1 1 53 53 SER N N 15 114.566 0.052 . 1 . . 138 . A 804 SER N . 30297 1 638 . 1 1 54 54 GLN H H 1 7.794 0.008 . 1 . . 51 . A 805 GLN H . 30297 1 639 . 1 1 54 54 GLN HA H 1 4.020 0.0 . 1 . . 735 . A 805 GLN HA . 30297 1 640 . 1 1 54 54 GLN HB2 H 1 2.126 0.003 . 2 . . 876 . A 805 GLN HB2 . 30297 1 641 . 1 1 54 54 GLN HB3 H 1 2.129 0.01 . 2 . . 1044 . A 805 GLN HB3 . 30297 1 642 . 1 1 54 54 GLN HG2 H 1 2.390 0.004 . 2 . . 1007 . A 805 GLN HG2 . 30297 1 643 . 1 1 54 54 GLN HG3 H 1 2.393 0.001 . 2 . . 1045 . A 805 GLN HG3 . 30297 1 644 . 1 1 54 54 GLN HE21 H 1 7.404 0.01 . 1 . . 562 . A 805 GLN HE21 . 30297 1 645 . 1 1 54 54 GLN HE22 H 1 6.839 0.01 . 1 . . 1047 . A 805 GLN HE22 . 30297 1 646 . 1 1 54 54 GLN C C 13 177.573 0.1 . 1 . . 427 . A 805 GLN C . 30297 1 647 . 1 1 54 54 GLN CA C 13 58.807 0.035 . 1 . . 292 . A 805 GLN CA . 30297 1 648 . 1 1 54 54 GLN CB C 13 28.498 0.07 . 1 . . 293 . A 805 GLN CB . 30297 1 649 . 1 1 54 54 GLN CG C 13 34.043 0.046 . 1 . . 1008 . A 805 GLN CG . 30297 1 650 . 1 1 54 54 GLN N N 15 120.839 0.027 . 1 . . 52 . A 805 GLN N . 30297 1 651 . 1 1 54 54 GLN NE2 N 15 112.113 0.0 . 1 . . 1046 . A 805 GLN NE2 . 30297 1 652 . 1 1 55 55 GLU H H 1 7.970 0.004 . 1 . . 545 . A 806 GLU H . 30297 1 653 . 1 1 55 55 GLU HA H 1 4.159 0.002 . 1 . . 781 . A 806 GLU HA . 30297 1 654 . 1 1 55 55 GLU HB2 H 1 2.010 0.009 . 2 . . 619 . A 806 GLU HB2 . 30297 1 655 . 1 1 55 55 GLU HB3 H 1 2.011 0.01 . 2 . . 618 . A 806 GLU HB3 . 30297 1 656 . 1 1 55 55 GLU HG2 H 1 2.055 0.015 . 2 . . 783 . A 806 GLU HG2 . 30297 1 657 . 1 1 55 55 GLU HG3 H 1 2.050 0.013 . 2 . . 1294 . A 806 GLU HG3 . 30297 1 658 . 1 1 55 55 GLU C C 13 178.886 0.1 . 1 . . 448 . A 806 GLU C . 30297 1 659 . 1 1 55 55 GLU CA C 13 58.762 0.048 . 1 . . 291 . A 806 GLU CA . 30297 1 660 . 1 1 55 55 GLU CB C 13 29.385 0.02 . 1 . . 290 . A 806 GLU CB . 30297 1 661 . 1 1 55 55 GLU CG C 13 35.832 0.018 . 1 . . 782 . A 806 GLU CG . 30297 1 662 . 1 1 55 55 GLU N N 15 118.822 0.024 . 1 . . 546 . A 806 GLU N . 30297 1 663 . 1 1 56 56 LEU H H 1 8.192 0.003 . 1 . . 27 . A 807 LEU H . 30297 1 664 . 1 1 56 56 LEU HB2 H 1 1.769 0.01 . 1 . . 1273 . A 807 LEU HB2 . 30297 1 665 . 1 1 56 56 LEU C C 13 177.569 0.1 . 1 . . 426 . A 807 LEU C . 30297 1 666 . 1 1 56 56 LEU CA C 13 57.765 0.033 . 1 . . 289 . A 807 LEU CA . 30297 1 667 . 1 1 56 56 LEU CB C 13 41.930 0.047 . 1 . . 288 . A 807 LEU CB . 30297 1 668 . 1 1 56 56 LEU N N 15 120.312 0.035 . 1 . . 28 . A 807 LEU N . 30297 1 669 . 1 1 57 57 LYS H H 1 7.952 0.004 . 1 . . 557 . A 808 LYS H . 30297 1 670 . 1 1 57 57 LYS HA H 1 3.818 0.007 . 1 . . 739 . A 808 LYS HA . 30297 1 671 . 1 1 57 57 LYS HB2 H 1 1.902 0.006 . 2 . . 1302 . A 808 LYS HB2 . 30297 1 672 . 1 1 57 57 LYS HB3 H 1 1.902 0.005 . 2 . . 1303 . A 808 LYS HB3 . 30297 1 673 . 1 1 57 57 LYS HG2 H 1 1.522 0.003 . 2 . . 759 . A 808 LYS HG2 . 30297 1 674 . 1 1 57 57 LYS HG3 H 1 1.369 0.002 . 2 . . 1058 . A 808 LYS HG3 . 30297 1 675 . 1 1 57 57 LYS HD2 H 1 1.710 0.002 . 1 . . 761 . A 808 LYS HD2 . 30297 1 676 . 1 1 57 57 LYS HD3 H 1 1.710 0.002 . 1 . . 1142 . A 808 LYS HD3 . 30297 1 677 . 1 1 57 57 LYS HE2 H 1 2.894 0.008 . 2 . . 1026 . A 808 LYS HE2 . 30297 1 678 . 1 1 57 57 LYS HE3 H 1 2.899 0.007 . 2 . . 1143 . A 808 LYS HE3 . 30297 1 679 . 1 1 57 57 LYS C C 13 177.216 0.1 . 1 . . 385 . A 808 LYS C . 30297 1 680 . 1 1 57 57 LYS CA C 13 60.408 0.076 . 1 . . 738 . A 808 LYS CA . 30297 1 681 . 1 1 57 57 LYS CB C 13 32.080 0.051 . 1 . . 287 . A 808 LYS CB . 30297 1 682 . 1 1 57 57 LYS CG C 13 25.238 0.053 . 1 . . 741 . A 808 LYS CG . 30297 1 683 . 1 1 57 57 LYS CD C 13 29.632 0.036 . 1 . . 740 . A 808 LYS CD . 30297 1 684 . 1 1 57 57 LYS CE C 13 41.983 0.066 . 1 . . 1027 . A 808 LYS CE . 30297 1 685 . 1 1 57 57 LYS N N 15 118.787 0.051 . 1 . . 556 . A 808 LYS N . 30297 1 686 . 1 1 58 58 ASN H H 1 8.144 0.002 . 1 . . 553 . A 809 ASN H . 30297 1 687 . 1 1 58 58 ASN HA H 1 4.471 0.006 . 1 . . 815 . A 809 ASN HA . 30297 1 688 . 1 1 58 58 ASN HB2 H 1 2.692 0.01 . 2 . . 620 . A 809 ASN HB2 . 30297 1 689 . 1 1 58 58 ASN HB3 H 1 2.675 0.01 . 2 . . 1036 . A 809 ASN HB3 . 30297 1 690 . 1 1 58 58 ASN HD21 H 1 7.568 0.01 . 1 . . 560 . A 809 ASN HD21 . 30297 1 691 . 1 1 58 58 ASN HD22 H 1 6.809 0.01 . 1 . . 1037 . A 809 ASN HD22 . 30297 1 692 . 1 1 58 58 ASN C C 13 177.256 0.1 . 1 . . 384 . A 809 ASN C . 30297 1 693 . 1 1 58 58 ASN CA C 13 55.752 0.059 . 1 . . 285 . A 809 ASN CA . 30297 1 694 . 1 1 58 58 ASN CB C 13 38.280 0.017 . 1 . . 286 . A 809 ASN CB . 30297 1 695 . 1 1 58 58 ASN N N 15 116.194 0.021 . 1 . . 554 . A 809 ASN N . 30297 1 696 . 1 1 58 58 ASN ND2 N 15 111.931 0.0 . 1 . . 561 . A 809 ASN ND2 . 30297 1 697 . 1 1 59 59 SER H H 1 8.133 0.001 . 1 . . 117 . A 810 SER H . 30297 1 698 . 1 1 59 59 SER HA H 1 4.381 0.005 . 1 . . 1014 . A 810 SER HA . 30297 1 699 . 1 1 59 59 SER HB2 H 1 3.861 0.01 . 2 . . 622 . A 810 SER HB2 . 30297 1 700 . 1 1 59 59 SER HB3 H 1 4.023 0.001 . 2 . . 621 . A 810 SER HB3 . 30297 1 701 . 1 1 59 59 SER C C 13 175.262 0.1 . 1 . . 471 . A 810 SER C . 30297 1 702 . 1 1 59 59 SER CA C 13 61.917 0.075 . 1 . . 1015 . A 810 SER CA . 30297 1 703 . 1 1 59 59 SER CB C 13 63.521 0.019 . 1 . . 169 . A 810 SER CB . 30297 1 704 . 1 1 59 59 SER N N 15 115.961 0.039 . 1 . . 118 . A 810 SER N . 30297 1 705 . 1 1 60 60 ALA H H 1 8.344 0.004 . 1 . . 3 . A 811 ALA H . 30297 1 706 . 1 1 60 60 ALA HA H 1 4.050 0.002 . 1 . . 800 . A 811 ALA HA . 30297 1 707 . 1 1 60 60 ALA HB1 H 1 1.498 0.003 . 1 . . 857 . A 811 ALA HB1 . 30297 1 708 . 1 1 60 60 ALA HB2 H 1 1.498 0.003 . 1 . . 857 . A 811 ALA HB2 . 30297 1 709 . 1 1 60 60 ALA HB3 H 1 1.498 0.003 . 1 . . 857 . A 811 ALA HB3 . 30297 1 710 . 1 1 60 60 ALA C C 13 178.185 0.1 . 1 . . 394 . A 811 ALA C . 30297 1 711 . 1 1 60 60 ALA CA C 13 55.305 0.056 . 1 . . 167 . A 811 ALA CA . 30297 1 712 . 1 1 60 60 ALA CB C 13 18.554 0.043 . 1 . . 168 . A 811 ALA CB . 30297 1 713 . 1 1 60 60 ALA N N 15 124.223 0.057 . 1 . . 4 . A 811 ALA N . 30297 1 714 . 1 1 61 61 VAL H H 1 8.139 0.004 . 1 . . 113 . A 812 VAL H . 30297 1 715 . 1 1 61 61 VAL HA H 1 3.638 0.007 . 1 . . 753 . A 812 VAL HA . 30297 1 716 . 1 1 61 61 VAL HB H 1 2.198 0.0 . 1 . . 879 . A 812 VAL HB . 30297 1 717 . 1 1 61 61 VAL HG11 H 1 1.099 0.004 . 2 . . 1028 . A 812 VAL HG11 . 30297 1 718 . 1 1 61 61 VAL HG12 H 1 1.099 0.004 . 2 . . 1028 . A 812 VAL HG12 . 30297 1 719 . 1 1 61 61 VAL HG13 H 1 1.099 0.004 . 2 . . 1028 . A 812 VAL HG13 . 30297 1 720 . 1 1 61 61 VAL HG21 H 1 0.985 0.003 . 2 . . 1029 . A 812 VAL HG21 . 30297 1 721 . 1 1 61 61 VAL HG22 H 1 0.985 0.003 . 2 . . 1029 . A 812 VAL HG22 . 30297 1 722 . 1 1 61 61 VAL HG23 H 1 0.985 0.003 . 2 . . 1029 . A 812 VAL HG23 . 30297 1 723 . 1 1 61 61 VAL C C 13 177.199 0.1 . 1 . . 415 . A 812 VAL C . 30297 1 724 . 1 1 61 61 VAL CA C 13 66.479 0.058 . 1 . . 255 . A 812 VAL CA . 30297 1 725 . 1 1 61 61 VAL CB C 13 31.753 0.052 . 1 . . 878 . A 812 VAL CB . 30297 1 726 . 1 1 61 61 VAL CG1 C 13 22.977 0.025 . 2 . . 742 . A 812 VAL CG1 . 30297 1 727 . 1 1 61 61 VAL CG2 C 13 21.460 0.037 . 2 . . 863 . A 812 VAL CG2 . 30297 1 728 . 1 1 61 61 VAL N N 15 116.639 0.038 . 1 . . 114 . A 812 VAL N . 30297 1 729 . 1 1 62 62 ASN H H 1 7.933 0.002 . 1 . . 85 . A 813 ASN H . 30297 1 730 . 1 1 62 62 ASN HA H 1 4.563 0.003 . 1 . . 817 . A 813 ASN HA . 30297 1 731 . 1 1 62 62 ASN HB2 H 1 2.950 0.001 . 2 . . 911 . A 813 ASN HB2 . 30297 1 732 . 1 1 62 62 ASN HB3 H 1 2.864 0.007 . 2 . . 623 . A 813 ASN HB3 . 30297 1 733 . 1 1 62 62 ASN HD21 H 1 7.628 0.01 . 1 . . 559 . A 813 ASN HD21 . 30297 1 734 . 1 1 62 62 ASN HD22 H 1 6.817 0.01 . 1 . . 1039 . A 813 ASN HD22 . 30297 1 735 . 1 1 62 62 ASN C C 13 177.427 0.1 . 1 . . 454 . A 813 ASN C . 30297 1 736 . 1 1 62 62 ASN CA C 13 55.933 0.039 . 1 . . 816 . A 813 ASN CA . 30297 1 737 . 1 1 62 62 ASN CB C 13 38.273 0.026 . 1 . . 256 . A 813 ASN CB . 30297 1 738 . 1 1 62 62 ASN N N 15 118.449 0.037 . 1 . . 86 . A 813 ASN N . 30297 1 739 . 1 1 62 62 ASN ND2 N 15 112.212 0.002 . 1 . . 1038 . A 813 ASN ND2 . 30297 1 740 . 1 1 63 63 LEU H H 1 8.082 0.003 . 1 . . 35 . A 814 LEU H . 30297 1 741 . 1 1 63 63 LEU HA H 1 4.179 0.01 . 1 . . 626 . A 814 LEU HA . 30297 1 742 . 1 1 63 63 LEU HB2 H 1 1.811 0.01 . 2 . . 625 . A 814 LEU HB2 . 30297 1 743 . 1 1 63 63 LEU HB3 H 1 1.740 0.002 . 2 . . 624 . A 814 LEU HB3 . 30297 1 744 . 1 1 63 63 LEU C C 13 178.608 0.1 . 1 . . 457 . A 814 LEU C . 30297 1 745 . 1 1 63 63 LEU CA C 13 57.870 0.069 . 1 . . 225 . A 814 LEU CA . 30297 1 746 . 1 1 63 63 LEU CB C 13 42.113 0.013 . 1 . . 226 . A 814 LEU CB . 30297 1 747 . 1 1 63 63 LEU CG C 13 27.201 0.1 . 1 . . 1072 . A 814 LEU CG . 30297 1 748 . 1 1 63 63 LEU CD1 C 13 24.648 0.1 . 2 . . 1073 . A 814 LEU CD1 . 30297 1 749 . 1 1 63 63 LEU CD2 C 13 24.681 0.1 . 2 . . 1074 . A 814 LEU CD2 . 30297 1 750 . 1 1 63 63 LEU N N 15 121.180 0.023 . 1 . . 36 . A 814 LEU N . 30297 1 751 . 1 1 64 64 LEU H H 1 8.278 0.002 . 1 . . 23 . A 815 LEU H . 30297 1 752 . 1 1 64 64 LEU HA H 1 4.045 0.004 . 1 . . 627 . A 815 LEU HA . 30297 1 753 . 1 1 64 64 LEU HB2 H 1 1.857 0.01 . 2 . . 628 . A 815 LEU HB2 . 30297 1 754 . 1 1 64 64 LEU HB3 H 1 1.703 0.01 . 2 . . 1088 . A 815 LEU HB3 . 30297 1 755 . 1 1 64 64 LEU HG H 1 1.827 0.01 . 1 . . 1306 . A 815 LEU HG . 30297 1 756 . 1 1 64 64 LEU HD11 H 1 0.890 0.01 . 2 . . 629 . A 815 LEU HD11 . 30297 1 757 . 1 1 64 64 LEU HD12 H 1 0.890 0.01 . 2 . . 629 . A 815 LEU HD12 . 30297 1 758 . 1 1 64 64 LEU HD13 H 1 0.890 0.01 . 2 . . 629 . A 815 LEU HD13 . 30297 1 759 . 1 1 64 64 LEU HD21 H 1 0.891 0.01 . 2 . . 1144 . A 815 LEU HD21 . 30297 1 760 . 1 1 64 64 LEU HD22 H 1 0.891 0.01 . 2 . . 1144 . A 815 LEU HD22 . 30297 1 761 . 1 1 64 64 LEU HD23 H 1 0.891 0.01 . 2 . . 1144 . A 815 LEU HD23 . 30297 1 762 . 1 1 64 64 LEU C C 13 177.735 0.1 . 1 . . 403 . A 815 LEU C . 30297 1 763 . 1 1 64 64 LEU CA C 13 57.884 0.031 . 1 . . 175 . A 815 LEU CA . 30297 1 764 . 1 1 64 64 LEU CB C 13 41.715 0.012 . 1 . . 176 . A 815 LEU CB . 30297 1 765 . 1 1 64 64 LEU CG C 13 27.243 0.1 . 1 . . 1075 . A 815 LEU CG . 30297 1 766 . 1 1 64 64 LEU CD1 C 13 24.092 0.1 . 1 . . 1076 . A 815 LEU CD1 . 30297 1 767 . 1 1 64 64 LEU N N 15 120.915 0.015 . 1 . . 24 . A 815 LEU N . 30297 1 768 . 1 1 65 65 ASN H H 1 8.233 0.007 . 1 . . 123 . A 816 ASN H . 30297 1 769 . 1 1 65 65 ASN HA H 1 4.509 0.0 . 1 . . 818 . A 816 ASN HA . 30297 1 770 . 1 1 65 65 ASN HB2 H 1 2.866 0.006 . 2 . . 909 . A 816 ASN HB2 . 30297 1 771 . 1 1 65 65 ASN HB3 H 1 2.872 0.01 . 2 . . 1040 . A 816 ASN HB3 . 30297 1 772 . 1 1 65 65 ASN HD21 H 1 7.500 0.01 . 1 . . 564 . A 816 ASN HD21 . 30297 1 773 . 1 1 65 65 ASN HD22 H 1 6.720 0.01 . 1 . . 572 . A 816 ASN HD22 . 30297 1 774 . 1 1 65 65 ASN C C 13 176.338 0.1 . 1 . . 453 . A 816 ASN C . 30297 1 775 . 1 1 65 65 ASN CA C 13 55.766 0.05 . 1 . . 174 . A 816 ASN CA . 30297 1 776 . 1 1 65 65 ASN CB C 13 38.796 0.028 . 1 . . 173 . A 816 ASN CB . 30297 1 777 . 1 1 65 65 ASN N N 15 117.508 0.036 . 1 . . 124 . A 816 ASN N . 30297 1 778 . 1 1 65 65 ASN ND2 N 15 111.081 0.002 . 1 . . 563 . A 816 ASN ND2 . 30297 1 779 . 1 1 66 66 ALA H H 1 8.037 0.002 . 1 . . 37 . A 817 ALA H . 30297 1 780 . 1 1 66 66 ALA HA H 1 4.202 0.008 . 1 . . 810 . A 817 ALA HA . 30297 1 781 . 1 1 66 66 ALA HB1 H 1 1.543 0.001 . 1 . . 855 . A 817 ALA HB1 . 30297 1 782 . 1 1 66 66 ALA HB2 H 1 1.543 0.001 . 1 . . 855 . A 817 ALA HB2 . 30297 1 783 . 1 1 66 66 ALA HB3 H 1 1.543 0.001 . 1 . . 855 . A 817 ALA HB3 . 30297 1 784 . 1 1 66 66 ALA C C 13 179.173 0.1 . 1 . . 374 . A 817 ALA C . 30297 1 785 . 1 1 66 66 ALA CA C 13 54.515 0.045 . 1 . . 809 . A 817 ALA CA . 30297 1 786 . 1 1 66 66 ALA CB C 13 18.704 0.053 . 1 . . 172 . A 817 ALA CB . 30297 1 787 . 1 1 66 66 ALA N N 15 121.009 0.021 . 1 . . 38 . A 817 ALA N . 30297 1 788 . 1 1 67 67 THR H H 1 8.026 0.003 . 1 . . 141 . A 818 THR H . 30297 1 789 . 1 1 67 67 THR HA H 1 3.961 0.003 . 1 . . 989 . A 818 THR HA . 30297 1 790 . 1 1 67 67 THR HB H 1 4.266 0.003 . 1 . . 990 . A 818 THR HB . 30297 1 791 . 1 1 67 67 THR HG21 H 1 1.203 0.004 . 1 . . 984 . A 818 THR HG21 . 30297 1 792 . 1 1 67 67 THR HG22 H 1 1.203 0.004 . 1 . . 984 . A 818 THR HG22 . 30297 1 793 . 1 1 67 67 THR HG23 H 1 1.203 0.004 . 1 . . 984 . A 818 THR HG23 . 30297 1 794 . 1 1 67 67 THR C C 13 174.602 0.1 . 1 . . 470 . A 818 THR C . 30297 1 795 . 1 1 67 67 THR CA C 13 66.005 0.071 . 1 . . 171 . A 818 THR CA . 30297 1 796 . 1 1 67 67 THR CB C 13 68.888 0.032 . 1 . . 880 . A 818 THR CB . 30297 1 797 . 1 1 67 67 THR CG2 C 13 21.830 0.02 . 1 . . 985 . A 818 THR CG2 . 30297 1 798 . 1 1 67 67 THR N N 15 113.753 0.029 . 1 . . 142 . A 818 THR N . 30297 1 799 . 1 1 68 68 ALA H H 1 8.169 0.004 . 1 . . 1 . A 819 ALA H . 30297 1 800 . 1 1 68 68 ALA HA H 1 4.060 0.004 . 1 . . 999 . A 819 ALA HA . 30297 1 801 . 1 1 68 68 ALA HB1 H 1 1.503 0.001 . 1 . . 1001 . A 819 ALA HB1 . 30297 1 802 . 1 1 68 68 ALA HB2 H 1 1.503 0.001 . 1 . . 1001 . A 819 ALA HB2 . 30297 1 803 . 1 1 68 68 ALA HB3 H 1 1.503 0.001 . 1 . . 1001 . A 819 ALA HB3 . 30297 1 804 . 1 1 68 68 ALA C C 13 178.685 0.1 . 1 . . 398 . A 819 ALA C . 30297 1 805 . 1 1 68 68 ALA CA C 13 54.923 0.049 . 1 . . 803 . A 819 ALA CA . 30297 1 806 . 1 1 68 68 ALA CB C 13 18.511 0.027 . 1 . . 170 . A 819 ALA CB . 30297 1 807 . 1 1 68 68 ALA N N 15 123.376 0.034 . 1 . . 2 . A 819 ALA N . 30297 1 808 . 1 1 69 69 ILE H H 1 7.694 0.002 . 1 . . 77 . A 820 ILE H . 30297 1 809 . 1 1 69 69 ILE HA H 1 3.870 0.007 . 1 . . 630 . A 820 ILE HA . 30297 1 810 . 1 1 69 69 ILE HB H 1 1.903 0.002 . 1 . . 1090 . A 820 ILE HB . 30297 1 811 . 1 1 69 69 ILE HG12 H 1 1.647 0.003 . 2 . . 1054 . A 820 ILE HG12 . 30297 1 812 . 1 1 69 69 ILE HG13 H 1 1.225 0.006 . 2 . . 871 . A 820 ILE HG13 . 30297 1 813 . 1 1 69 69 ILE HG21 H 1 0.923 0.004 . 1 . . 1217 . A 820 ILE HG21 . 30297 1 814 . 1 1 69 69 ILE HG22 H 1 0.923 0.004 . 1 . . 1217 . A 820 ILE HG22 . 30297 1 815 . 1 1 69 69 ILE HG23 H 1 0.923 0.004 . 1 . . 1217 . A 820 ILE HG23 . 30297 1 816 . 1 1 69 69 ILE HD11 H 1 0.864 0.003 . 1 . . 873 . A 820 ILE HD11 . 30297 1 817 . 1 1 69 69 ILE HD12 H 1 0.864 0.003 . 1 . . 873 . A 820 ILE HD12 . 30297 1 818 . 1 1 69 69 ILE HD13 H 1 0.864 0.003 . 1 . . 873 . A 820 ILE HD13 . 30297 1 819 . 1 1 69 69 ILE C C 13 176.496 0.1 . 1 . . 469 . A 820 ILE C . 30297 1 820 . 1 1 69 69 ILE CA C 13 63.548 0.056 . 1 . . 196 . A 820 ILE CA . 30297 1 821 . 1 1 69 69 ILE CB C 13 38.265 0.038 . 1 . . 195 . A 820 ILE CB . 30297 1 822 . 1 1 69 69 ILE CG1 C 13 28.752 0.047 . 1 . . 679 . A 820 ILE CG1 . 30297 1 823 . 1 1 69 69 ILE CG2 C 13 17.584 0.038 . 1 . . 1216 . A 820 ILE CG2 . 30297 1 824 . 1 1 69 69 ILE CD1 C 13 13.194 0.06 . 1 . . 872 . A 820 ILE CD1 . 30297 1 825 . 1 1 69 69 ILE N N 15 116.884 0.017 . 1 . . 78 . A 820 ILE N . 30297 1 826 . 1 1 70 70 ALA H H 1 7.761 0.002 . 1 . . 43 . A 821 ALA H . 30297 1 827 . 1 1 70 70 ALA HA H 1 4.214 0.006 . 1 . . 811 . A 821 ALA HA . 30297 1 828 . 1 1 70 70 ALA HB1 H 1 1.480 0.001 . 1 . . 1030 . A 821 ALA HB1 . 30297 1 829 . 1 1 70 70 ALA HB2 H 1 1.480 0.001 . 1 . . 1030 . A 821 ALA HB2 . 30297 1 830 . 1 1 70 70 ALA HB3 H 1 1.480 0.001 . 1 . . 1030 . A 821 ALA HB3 . 30297 1 831 . 1 1 70 70 ALA C C 13 178.747 0.1 . 1 . . 380 . A 821 ALA C . 30297 1 832 . 1 1 70 70 ALA CA C 13 54.352 0.051 . 1 . . 263 . A 821 ALA CA . 30297 1 833 . 1 1 70 70 ALA CB C 13 18.737 0.013 . 1 . . 262 . A 821 ALA CB . 30297 1 834 . 1 1 70 70 ALA N N 15 122.849 0.026 . 1 . . 44 . A 821 ALA N . 30297 1 835 . 1 1 71 71 VAL H H 1 8.024 0.002 . 1 . . 131 . A 822 VAL H . 30297 1 836 . 1 1 71 71 VAL HA H 1 3.851 0.003 . 1 . . 631 . A 822 VAL HA . 30297 1 837 . 1 1 71 71 VAL HB H 1 2.197 0.0 . 1 . . 877 . A 822 VAL HB . 30297 1 838 . 1 1 71 71 VAL HG11 H 1 0.945 0.01 . 2 . . 865 . A 822 VAL HG11 . 30297 1 839 . 1 1 71 71 VAL HG12 H 1 0.945 0.01 . 2 . . 865 . A 822 VAL HG12 . 30297 1 840 . 1 1 71 71 VAL HG13 H 1 0.945 0.01 . 2 . . 865 . A 822 VAL HG13 . 30297 1 841 . 1 1 71 71 VAL HG21 H 1 1.017 0.007 . 2 . . 991 . A 822 VAL HG21 . 30297 1 842 . 1 1 71 71 VAL HG22 H 1 1.017 0.007 . 2 . . 991 . A 822 VAL HG22 . 30297 1 843 . 1 1 71 71 VAL HG23 H 1 1.017 0.007 . 2 . . 991 . A 822 VAL HG23 . 30297 1 844 . 1 1 71 71 VAL C C 13 176.404 0.1 . 1 . . 468 . A 822 VAL C . 30297 1 845 . 1 1 71 71 VAL CA C 13 64.443 0.047 . 1 . . 197 . A 822 VAL CA . 30297 1 846 . 1 1 71 71 VAL CB C 13 31.885 0.043 . 1 . . 264 . A 822 VAL CB . 30297 1 847 . 1 1 71 71 VAL CG1 C 13 21.690 0.005 . 2 . . 755 . A 822 VAL CG1 . 30297 1 848 . 1 1 71 71 VAL CG2 C 13 21.982 0.043 . 2 . . 1000 . A 822 VAL CG2 . 30297 1 849 . 1 1 71 71 VAL N N 15 115.060 0.023 . 1 . . 132 . A 822 VAL N . 30297 1 850 . 1 1 72 72 ALA H H 1 7.803 0.003 . 1 . . 41 . A 823 ALA H . 30297 1 851 . 1 1 72 72 ALA HA H 1 4.185 0.01 . 1 . . 807 . A 823 ALA HA . 30297 1 852 . 1 1 72 72 ALA HB1 H 1 1.510 0.004 . 1 . . 856 . A 823 ALA HB1 . 30297 1 853 . 1 1 72 72 ALA HB2 H 1 1.510 0.004 . 1 . . 856 . A 823 ALA HB2 . 30297 1 854 . 1 1 72 72 ALA HB3 H 1 1.510 0.004 . 1 . . 856 . A 823 ALA HB3 . 30297 1 855 . 1 1 72 72 ALA C C 13 178.180 0.1 . 1 . . 395 . A 823 ALA C . 30297 1 856 . 1 1 72 72 ALA CA C 13 54.084 0.062 . 1 . . 808 . A 823 ALA CA . 30297 1 857 . 1 1 72 72 ALA CB C 13 18.885 0.042 . 1 . . 284 . A 823 ALA CB . 30297 1 858 . 1 1 72 72 ALA N N 15 122.489 0.025 . 1 . . 42 . A 823 ALA N . 30297 1 859 . 1 1 73 73 GLU H H 1 8.064 0.003 . 1 . . 111 . A 824 GLU H . 30297 1 860 . 1 1 73 73 GLU HA H 1 4.296 0.001 . 1 . . 743 . A 824 GLU HA . 30297 1 861 . 1 1 73 73 GLU HB2 H 1 2.149 0.001 . 2 . . 1006 . A 824 GLU HB2 . 30297 1 862 . 1 1 73 73 GLU HB3 H 1 2.061 0.0 . 2 . . 633 . A 824 GLU HB3 . 30297 1 863 . 1 1 73 73 GLU HG2 H 1 2.421 0.009 . 2 . . 745 . A 824 GLU HG2 . 30297 1 864 . 1 1 73 73 GLU HG3 H 1 2.298 0.001 . 2 . . 1059 . A 824 GLU HG3 . 30297 1 865 . 1 1 73 73 GLU C C 13 177.069 0.1 . 1 . . 370 . A 824 GLU C . 30297 1 866 . 1 1 73 73 GLU CA C 13 57.500 0.041 . 1 . . 283 . A 824 GLU CA . 30297 1 867 . 1 1 73 73 GLU CB C 13 30.204 0.016 . 1 . . 282 . A 824 GLU CB . 30297 1 868 . 1 1 73 73 GLU CG C 13 36.379 0.015 . 1 . . 744 . A 824 GLU CG . 30297 1 869 . 1 1 73 73 GLU N N 15 116.742 0.029 . 1 . . 112 . A 824 GLU N . 30297 1 870 . 1 1 74 74 GLY H H 1 8.094 0.002 . 1 . . 151 . A 825 GLY H . 30297 1 871 . 1 1 74 74 GLY HA2 H 1 4.150 0.01 . 2 . . 829 . A 825 GLY HA2 . 30297 1 872 . 1 1 74 74 GLY HA3 H 1 4.044 0.01 . 2 . . 828 . A 825 GLY HA3 . 30297 1 873 . 1 1 74 74 GLY C C 13 174.165 0.1 . 1 . . 373 . A 825 GLY C . 30297 1 874 . 1 1 74 74 GLY CA C 13 45.975 0.033 . 1 . . 272 . A 825 GLY CA . 30297 1 875 . 1 1 74 74 GLY N N 15 107.773 0.032 . 1 . . 152 . A 825 GLY N . 30297 1 876 . 1 1 75 75 THR H H 1 8.122 0.003 . 1 . . 143 . A 826 THR H . 30297 1 877 . 1 1 75 75 THR HA H 1 3.964 0.004 . 1 . . 834 . A 826 THR HA . 30297 1 878 . 1 1 75 75 THR HB H 1 4.239 0.007 . 1 . . 746 . A 826 THR HB . 30297 1 879 . 1 1 75 75 THR HG21 H 1 1.252 0.007 . 1 . . 992 . A 826 THR HG21 . 30297 1 880 . 1 1 75 75 THR HG22 H 1 1.252 0.007 . 1 . . 992 . A 826 THR HG22 . 30297 1 881 . 1 1 75 75 THR HG23 H 1 1.252 0.007 . 1 . . 992 . A 826 THR HG23 . 30297 1 882 . 1 1 75 75 THR C C 13 175.047 0.1 . 1 . . 461 . A 826 THR C . 30297 1 883 . 1 1 75 75 THR CA C 13 65.177 0.033 . 1 . . 271 . A 826 THR CA . 30297 1 884 . 1 1 75 75 THR CB C 13 69.047 0.043 . 1 . . 270 . A 826 THR CB . 30297 1 885 . 1 1 75 75 THR CG2 C 13 22.438 0.025 . 1 . . 993 . A 826 THR CG2 . 30297 1 886 . 1 1 75 75 THR N N 15 113.841 0.027 . 1 . . 144 . A 826 THR N . 30297 1 887 . 1 1 76 76 ASP H H 1 8.446 0.002 . 1 . . 11 . A 827 ASP H . 30297 1 888 . 1 1 76 76 ASP HA H 1 4.366 0.008 . 1 . . 1034 . A 827 ASP HA . 30297 1 889 . 1 1 76 76 ASP HB2 H 1 2.697 0.01 . 2 . . 908 . A 827 ASP HB2 . 30297 1 890 . 1 1 76 76 ASP HB3 H 1 2.690 0.01 . 2 . . 1042 . A 827 ASP HB3 . 30297 1 891 . 1 1 76 76 ASP C C 13 177.760 0.1 . 1 . . 433 . A 827 ASP C . 30297 1 892 . 1 1 76 76 ASP CA C 13 57.164 0.038 . 1 . . 822 . A 827 ASP CA . 30297 1 893 . 1 1 76 76 ASP CB C 13 40.140 0.037 . 1 . . 281 . A 827 ASP CB . 30297 1 894 . 1 1 76 76 ASP N N 15 120.726 0.06 . 1 . . 12 . A 827 ASP N . 30297 1 895 . 1 1 77 77 ARG H H 1 7.916 0.003 . 1 . . 83 . A 828 ARG H . 30297 1 896 . 1 1 77 77 ARG HA H 1 4.212 0.003 . 1 . . 763 . A 828 ARG HA . 30297 1 897 . 1 1 77 77 ARG HB2 H 1 1.952 0.01 . 2 . . 634 . A 828 ARG HB2 . 30297 1 898 . 1 1 77 77 ARG HB3 H 1 1.952 0.01 . 2 . . 1242 . A 828 ARG HB3 . 30297 1 899 . 1 1 77 77 ARG HG2 H 1 1.766 0.01 . 1 . . 1243 . A 828 ARG HG2 . 30297 1 900 . 1 1 77 77 ARG HG3 H 1 1.766 0.01 . 1 . . 1245 . A 828 ARG HG3 . 30297 1 901 . 1 1 77 77 ARG HD2 H 1 3.191 0.01 . 1 . . 885 . A 828 ARG HD2 . 30297 1 902 . 1 1 77 77 ARG HD3 H 1 3.191 0.01 . 1 . . 1138 . A 828 ARG HD3 . 30297 1 903 . 1 1 77 77 ARG C C 13 177.596 0.1 . 1 . . 416 . A 828 ARG C . 30297 1 904 . 1 1 77 77 ARG CA C 13 57.870 0.047 . 1 . . 762 . A 828 ARG CA . 30297 1 905 . 1 1 77 77 ARG CB C 13 29.936 0.019 . 1 . . 280 . A 828 ARG CB . 30297 1 906 . 1 1 77 77 ARG CG C 13 27.336 0.1 . 1 . . 765 . A 828 ARG CG . 30297 1 907 . 1 1 77 77 ARG CD C 13 43.271 0.1 . 1 . . 764 . A 828 ARG CD . 30297 1 908 . 1 1 77 77 ARG N N 15 119.309 0.044 . 1 . . 84 . A 828 ARG N . 30297 1 909 . 1 1 78 78 VAL H H 1 7.720 0.003 . 1 . . 67 . A 829 VAL H . 30297 1 910 . 1 1 78 78 VAL HA H 1 3.594 0.001 . 1 . . 747 . A 829 VAL HA . 30297 1 911 . 1 1 78 78 VAL HB H 1 2.273 0.002 . 1 . . 1032 . A 829 VAL HB . 30297 1 912 . 1 1 78 78 VAL HG11 H 1 0.933 0.01 . 2 . . 635 . A 829 VAL HG11 . 30297 1 913 . 1 1 78 78 VAL HG12 H 1 0.933 0.01 . 2 . . 635 . A 829 VAL HG12 . 30297 1 914 . 1 1 78 78 VAL HG13 H 1 0.933 0.01 . 2 . . 635 . A 829 VAL HG13 . 30297 1 915 . 1 1 78 78 VAL HG21 H 1 1.046 0.0 . 2 . . 1031 . A 829 VAL HG21 . 30297 1 916 . 1 1 78 78 VAL HG22 H 1 1.046 0.0 . 2 . . 1031 . A 829 VAL HG22 . 30297 1 917 . 1 1 78 78 VAL HG23 H 1 1.046 0.0 . 2 . . 1031 . A 829 VAL HG23 . 30297 1 918 . 1 1 78 78 VAL C C 13 176.920 0.1 . 1 . . 423 . A 829 VAL C . 30297 1 919 . 1 1 78 78 VAL CA C 13 66.656 0.04 . 1 . . 242 . A 829 VAL CA . 30297 1 920 . 1 1 78 78 VAL CB C 13 31.549 0.044 . 1 . . 279 . A 829 VAL CB . 30297 1 921 . 1 1 78 78 VAL CG1 C 13 21.549 0.001 . 2 . . 1337 . A 829 VAL CG1 . 30297 1 922 . 1 1 78 78 VAL CG2 C 13 23.174 0.076 . 2 . . 1067 . A 829 VAL CG2 . 30297 1 923 . 1 1 78 78 VAL N N 15 118.286 0.026 . 1 . . 68 . A 829 VAL N . 30297 1 924 . 1 1 79 79 ILE H H 1 8.044 0.002 . 1 . . 87 . A 830 ILE H . 30297 1 925 . 1 1 79 79 ILE HA H 1 3.652 0.007 . 1 . . 550 . A 830 ILE HA . 30297 1 926 . 1 1 79 79 ILE HB H 1 2.038 0.007 . 1 . . 1033 . A 830 ILE HB . 30297 1 927 . 1 1 79 79 ILE HG12 H 1 1.226 0.011 . 2 . . 685 . A 830 ILE HG12 . 30297 1 928 . 1 1 79 79 ILE HG13 H 1 1.703 0.001 . 2 . . 1055 . A 830 ILE HG13 . 30297 1 929 . 1 1 79 79 ILE HG21 H 1 0.934 0.005 . 1 . . 994 . A 830 ILE HG21 . 30297 1 930 . 1 1 79 79 ILE HG22 H 1 0.934 0.005 . 1 . . 994 . A 830 ILE HG22 . 30297 1 931 . 1 1 79 79 ILE HG23 H 1 0.934 0.005 . 1 . . 994 . A 830 ILE HG23 . 30297 1 932 . 1 1 79 79 ILE HD11 H 1 0.871 0.006 . 1 . . 995 . A 830 ILE HD11 . 30297 1 933 . 1 1 79 79 ILE HD12 H 1 0.871 0.006 . 1 . . 995 . A 830 ILE HD12 . 30297 1 934 . 1 1 79 79 ILE HD13 H 1 0.871 0.006 . 1 . . 995 . A 830 ILE HD13 . 30297 1 935 . 1 1 79 79 ILE C C 13 177.076 0.1 . 1 . . 436 . A 830 ILE C . 30297 1 936 . 1 1 79 79 ILE CA C 13 65.063 0.066 . 1 . . 278 . A 830 ILE CA . 30297 1 937 . 1 1 79 79 ILE CB C 13 37.211 0.051 . 1 . . 251 . A 830 ILE CB . 30297 1 938 . 1 1 79 79 ILE CG1 C 13 29.331 0.031 . 1 . . 683 . A 830 ILE CG1 . 30297 1 939 . 1 1 79 79 ILE CG2 C 13 17.652 0.058 . 1 . . 686 . A 830 ILE CG2 . 30297 1 940 . 1 1 79 79 ILE CD1 C 13 12.627 0.015 . 1 . . 684 . A 830 ILE CD1 . 30297 1 941 . 1 1 79 79 ILE N N 15 118.942 0.04 . 1 . . 88 . A 830 ILE N . 30297 1 942 . 1 1 80 80 GLU H H 1 7.830 0.001 . 1 . . 551 . A 831 GLU H . 30297 1 943 . 1 1 80 80 GLU HA H 1 4.128 0.004 . 1 . . 823 . A 831 GLU HA . 30297 1 944 . 1 1 80 80 GLU HB2 H 1 2.232 0.01 . 1 . . 1146 . A 831 GLU HB2 . 30297 1 945 . 1 1 80 80 GLU HB3 H 1 2.232 0.01 . 1 . . 1147 . A 831 GLU HB3 . 30297 1 946 . 1 1 80 80 GLU HG2 H 1 2.429 0.01 . 1 . . 1148 . A 831 GLU HG2 . 30297 1 947 . 1 1 80 80 GLU HG3 H 1 2.429 0.01 . 1 . . 1149 . A 831 GLU HG3 . 30297 1 948 . 1 1 80 80 GLU C C 13 179.549 0.1 . 1 . . 441 . A 831 GLU C . 30297 1 949 . 1 1 80 80 GLU CA C 13 59.896 0.051 . 1 . . 277 . A 831 GLU CA . 30297 1 950 . 1 1 80 80 GLU CB C 13 29.792 0.038 . 1 . . 1145 . A 831 GLU CB . 30297 1 951 . 1 1 80 80 GLU CG C 13 36.471 0.005 . 1 . . 784 . A 831 GLU CG . 30297 1 952 . 1 1 80 80 GLU N N 15 119.319 0.019 . 1 . . 552 . A 831 GLU N . 30297 1 953 . 1 1 81 81 VAL H H 1 7.929 0.003 . 1 . . 82 . A 832 VAL H . 30297 1 954 . 1 1 81 81 VAL HA H 1 3.784 0.006 . 1 . . 754 . A 832 VAL HA . 30297 1 955 . 1 1 81 81 VAL HB H 1 2.278 0.005 . 1 . . 858 . A 832 VAL HB . 30297 1 956 . 1 1 81 81 VAL HG11 H 1 0.970 0.002 . 2 . . 859 . A 832 VAL HG11 . 30297 1 957 . 1 1 81 81 VAL HG12 H 1 0.970 0.002 . 2 . . 859 . A 832 VAL HG12 . 30297 1 958 . 1 1 81 81 VAL HG13 H 1 0.970 0.002 . 2 . . 859 . A 832 VAL HG13 . 30297 1 959 . 1 1 81 81 VAL HG21 H 1 1.116 0.002 . 2 . . 862 . A 832 VAL HG21 . 30297 1 960 . 1 1 81 81 VAL HG22 H 1 1.116 0.002 . 2 . . 862 . A 832 VAL HG22 . 30297 1 961 . 1 1 81 81 VAL HG23 H 1 1.116 0.002 . 2 . . 862 . A 832 VAL HG23 . 30297 1 962 . 1 1 81 81 VAL C C 13 177.205 0.1 . 1 . . 446 . A 832 VAL C . 30297 1 963 . 1 1 81 81 VAL CA C 13 66.585 0.073 . 1 . . 254 . A 832 VAL CA . 30297 1 964 . 1 1 81 81 VAL CB C 13 31.458 0.031 . 1 . . 217 . A 832 VAL CB . 30297 1 965 . 1 1 81 81 VAL CG1 C 13 21.726 0.035 . 2 . . 1002 . A 832 VAL CG1 . 30297 1 966 . 1 1 81 81 VAL CG2 C 13 22.939 0.033 . 2 . . 756 . A 832 VAL CG2 . 30297 1 967 . 1 1 81 81 VAL N N 15 119.797 0.034 . 1 . . 81 . A 832 VAL N . 30297 1 968 . 1 1 82 82 LEU H H 1 8.239 0.002 . 1 . . 25 . A 833 LEU H . 30297 1 969 . 1 1 82 82 LEU HA H 1 4.049 0.002 . 1 . . 636 . A 833 LEU HA . 30297 1 970 . 1 1 82 82 LEU HB2 H 1 2.002 0.002 . 2 . . 637 . A 833 LEU HB2 . 30297 1 971 . 1 1 82 82 LEU HB3 H 1 1.466 0.008 . 2 . . 1150 . A 833 LEU HB3 . 30297 1 972 . 1 1 82 82 LEU HG H 1 1.964 0.002 . 1 . . 1327 . A 833 LEU HG . 30297 1 973 . 1 1 82 82 LEU HD11 H 1 0.852 0.0 . 2 . . 996 . A 833 LEU HD11 . 30297 1 974 . 1 1 82 82 LEU HD12 H 1 0.852 0.0 . 2 . . 996 . A 833 LEU HD12 . 30297 1 975 . 1 1 82 82 LEU HD13 H 1 0.852 0.0 . 2 . . 996 . A 833 LEU HD13 . 30297 1 976 . 1 1 82 82 LEU HD21 H 1 0.826 0.003 . 2 . . 1069 . A 833 LEU HD21 . 30297 1 977 . 1 1 82 82 LEU HD22 H 1 0.826 0.003 . 2 . . 1069 . A 833 LEU HD22 . 30297 1 978 . 1 1 82 82 LEU HD23 H 1 0.826 0.003 . 2 . . 1069 . A 833 LEU HD23 . 30297 1 979 . 1 1 82 82 LEU C C 13 178.588 0.1 . 1 . . 399 . A 833 LEU C . 30297 1 980 . 1 1 82 82 LEU CA C 13 58.260 0.039 . 1 . . 218 . A 833 LEU CA . 30297 1 981 . 1 1 82 82 LEU CB C 13 41.511 0.031 . 1 . . 219 . A 833 LEU CB . 30297 1 982 . 1 1 82 82 LEU CG C 13 26.786 0.063 . 1 . . 1070 . A 833 LEU CG . 30297 1 983 . 1 1 82 82 LEU CD1 C 13 25.960 0.024 . 2 . . 997 . A 833 LEU CD1 . 30297 1 984 . 1 1 82 82 LEU CD2 C 13 22.865 0.049 . 2 . . 1068 . A 833 LEU CD2 . 30297 1 985 . 1 1 82 82 LEU N N 15 119.968 0.02 . 1 . . 26 . A 833 LEU N . 30297 1 986 . 1 1 83 83 GLN H H 1 8.659 0.001 . 1 . . 15 . A 834 GLN H . 30297 1 987 . 1 1 83 83 GLN HA H 1 4.052 0.003 . 1 . . 777 . A 834 GLN HA . 30297 1 988 . 1 1 83 83 GLN HB2 H 1 2.288 0.002 . 2 . . 1005 . A 834 GLN HB2 . 30297 1 989 . 1 1 83 83 GLN HB3 H 1 2.137 0.001 . 2 . . 638 . A 834 GLN HB3 . 30297 1 990 . 1 1 83 83 GLN HG2 H 1 2.332 0.006 . 2 . . 1324 . A 834 GLN HG2 . 30297 1 991 . 1 1 83 83 GLN HG3 H 1 2.618 0.004 . 2 . . 1325 . A 834 GLN HG3 . 30297 1 992 . 1 1 83 83 GLN HE21 H 1 7.143 0.01 . 1 . . 567 . A 834 GLN HE21 . 30297 1 993 . 1 1 83 83 GLN HE22 H 1 6.736 0.01 . 1 . . 575 . A 834 GLN HE22 . 30297 1 994 . 1 1 83 83 GLN C C 13 178.099 0.1 . 1 . . 467 . A 834 GLN C . 30297 1 995 . 1 1 83 83 GLN CA C 13 59.829 0.056 . 1 . . 209 . A 834 GLN CA . 30297 1 996 . 1 1 83 83 GLN CB C 13 28.746 0.027 . 1 . . 210 . A 834 GLN CB . 30297 1 997 . 1 1 83 83 GLN CG C 13 34.788 0.047 . 1 . . 1003 . A 834 GLN CG . 30297 1 998 . 1 1 83 83 GLN N N 15 117.452 0.022 . 1 . . 16 . A 834 GLN N . 30297 1 999 . 1 1 83 83 GLN NE2 N 15 110.012 0.0 . 1 . . 568 . A 834 GLN NE2 . 30297 1 1000 . 1 1 84 84 ALA H H 1 7.888 0.002 . 1 . . 39 . A 835 ALA H . 30297 1 1001 . 1 1 84 84 ALA HA H 1 4.153 0.004 . 1 . . 802 . A 835 ALA HA . 30297 1 1002 . 1 1 84 84 ALA HB1 H 1 1.605 0.009 . 1 . . 798 . A 835 ALA HB1 . 30297 1 1003 . 1 1 84 84 ALA HB2 H 1 1.605 0.009 . 1 . . 798 . A 835 ALA HB2 . 30297 1 1004 . 1 1 84 84 ALA HB3 H 1 1.605 0.009 . 1 . . 798 . A 835 ALA HB3 . 30297 1 1005 . 1 1 84 84 ALA C C 13 179.899 0.1 . 1 . . 460 . A 835 ALA C . 30297 1 1006 . 1 1 84 84 ALA CA C 13 55.198 0.042 . 1 . . 801 . A 835 ALA CA . 30297 1 1007 . 1 1 84 84 ALA CB C 13 18.233 0.056 . 1 . . 294 . A 835 ALA CB . 30297 1 1008 . 1 1 84 84 ALA N N 15 122.132 0.021 . 1 . . 40 . A 835 ALA N . 30297 1 1009 . 1 1 85 85 ALA H H 1 8.466 0.001 . 1 . . 10 . A 836 ALA H . 30297 1 1010 . 1 1 85 85 ALA HA H 1 4.062 0.01 . 1 . . 1080 . A 836 ALA HA . 30297 1 1011 . 1 1 85 85 ALA HB1 H 1 1.528 0.009 . 1 . . 998 . A 836 ALA HB1 . 30297 1 1012 . 1 1 85 85 ALA HB2 H 1 1.528 0.009 . 1 . . 998 . A 836 ALA HB2 . 30297 1 1013 . 1 1 85 85 ALA HB3 H 1 1.528 0.009 . 1 . . 998 . A 836 ALA HB3 . 30297 1 1014 . 1 1 85 85 ALA C C 13 178.015 0.1 . 1 . . 401 . A 836 ALA C . 30297 1 1015 . 1 1 85 85 ALA CA C 13 55.244 0.064 . 1 . . 295 . A 836 ALA CA . 30297 1 1016 . 1 1 85 85 ALA CB C 13 18.122 0.028 . 1 . . 799 . A 836 ALA CB . 30297 1 1017 . 1 1 85 85 ALA N N 15 121.219 0.02 . 1 . . 9 . A 836 ALA N . 30297 1 1018 . 1 1 86 86 TYR H H 1 8.417 0.003 . 1 . . 17 . A 837 TYR H . 30297 1 1019 . 1 1 86 86 TYR HA H 1 4.150 0.001 . 1 . . 639 . A 837 TYR HA . 30297 1 1020 . 1 1 86 86 TYR HB2 H 1 3.186 0.005 . 2 . . 640 . A 837 TYR HB2 . 30297 1 1021 . 1 1 86 86 TYR HB3 H 1 3.186 0.005 . 2 . . 1066 . A 837 TYR HB3 . 30297 1 1022 . 1 1 86 86 TYR HD1 H 1 7.023 0.005 . 1 . . 1249 . A 837 TYR HD1 . 30297 1 1023 . 1 1 86 86 TYR HD2 H 1 7.023 0.005 . 1 . . 1249 . A 837 TYR HD2 . 30297 1 1024 . 1 1 86 86 TYR HE1 H 1 6.784 0.006 . 1 . . 1255 . A 837 TYR HE1 . 30297 1 1025 . 1 1 86 86 TYR HE2 H 1 6.784 0.006 . 1 . . 1255 . A 837 TYR HE2 . 30297 1 1026 . 1 1 86 86 TYR C C 13 176.618 0.1 . 1 . . 396 . A 837 TYR C . 30297 1 1027 . 1 1 86 86 TYR CA C 13 60.938 0.05 . 1 . . 212 . A 837 TYR CA . 30297 1 1028 . 1 1 86 86 TYR CB C 13 38.478 0.03 . 1 . . 211 . A 837 TYR CB . 30297 1 1029 . 1 1 86 86 TYR CD1 C 13 132.761 0.036 . 1 . . 1266 . A 837 TYR CD1 . 30297 1 1030 . 1 1 86 86 TYR CD2 C 13 132.761 0.036 . 1 . . 1266 . A 837 TYR CD2 . 30297 1 1031 . 1 1 86 86 TYR CE1 C 13 118.119 0.023 . 1 . . 1256 . A 837 TYR CE1 . 30297 1 1032 . 1 1 86 86 TYR CE2 C 13 118.119 0.023 . 1 . . 1256 . A 837 TYR CE2 . 30297 1 1033 . 1 1 86 86 TYR N N 15 117.502 0.025 . 1 . . 18 . A 837 TYR N . 30297 1 1034 . 1 1 87 87 ARG H H 1 8.038 0.002 . 1 . . 109 . A 838 ARG H . 30297 1 1035 . 1 1 87 87 ARG HA H 1 3.697 0.007 . 1 . . 766 . A 838 ARG HA . 30297 1 1036 . 1 1 87 87 ARG HB2 H 1 1.955 0.01 . 2 . . 1315 . A 838 ARG HB2 . 30297 1 1037 . 1 1 87 87 ARG HB3 H 1 1.954 0.01 . 2 . . 1322 . A 838 ARG HB3 . 30297 1 1038 . 1 1 87 87 ARG HG2 H 1 1.959 0.004 . 2 . . 1092 . A 838 ARG HG2 . 30297 1 1039 . 1 1 87 87 ARG HG3 H 1 1.631 0.003 . 2 . . 1091 . A 838 ARG HG3 . 30297 1 1040 . 1 1 87 87 ARG HD2 H 1 3.216 0.001 . 2 . . 912 . A 838 ARG HD2 . 30297 1 1041 . 1 1 87 87 ARG HD3 H 1 3.293 0.005 . 2 . . 1151 . A 838 ARG HD3 . 30297 1 1042 . 1 1 87 87 ARG C C 13 177.765 0.1 . 1 . . 440 . A 838 ARG C . 30297 1 1043 . 1 1 87 87 ARG CA C 13 59.637 0.047 . 1 . . 296 . A 838 ARG CA . 30297 1 1044 . 1 1 87 87 ARG CB C 13 30.243 0.032 . 1 . . 968 . A 838 ARG CB . 30297 1 1045 . 1 1 87 87 ARG CG C 13 28.339 0.053 . 1 . . 768 . A 838 ARG CG . 30297 1 1046 . 1 1 87 87 ARG CD C 13 43.728 0.046 . 1 . . 767 . A 838 ARG CD . 30297 1 1047 . 1 1 87 87 ARG N N 15 116.910 0.021 . 1 . . 110 . A 838 ARG N . 30297 1 1048 . 1 1 88 88 ALA H H 1 7.741 0.004 . 1 . . 57 . A 839 ALA H . 30297 1 1049 . 1 1 88 88 ALA HA H 1 4.210 0.003 . 1 . . 813 . A 839 ALA HA . 30297 1 1050 . 1 1 88 88 ALA HB1 H 1 1.555 0.011 . 1 . . 969 . A 839 ALA HB1 . 30297 1 1051 . 1 1 88 88 ALA HB2 H 1 1.555 0.011 . 1 . . 969 . A 839 ALA HB2 . 30297 1 1052 . 1 1 88 88 ALA HB3 H 1 1.555 0.011 . 1 . . 969 . A 839 ALA HB3 . 30297 1 1053 . 1 1 88 88 ALA C C 13 179.109 0.1 . 1 . . 378 . A 839 ALA C . 30297 1 1054 . 1 1 88 88 ALA CA C 13 54.663 0.035 . 1 . . 812 . A 839 ALA CA . 30297 1 1055 . 1 1 88 88 ALA CB C 13 18.856 0.014 . 1 . . 970 . A 839 ALA CB . 30297 1 1056 . 1 1 88 88 ALA N N 15 119.665 0.031 . 1 . . 58 . A 839 ALA N . 30297 1 1057 . 1 1 89 89 ILE H H 1 7.898 0.003 . 1 . . 133 . A 840 ILE H . 30297 1 1058 . 1 1 89 89 ILE HA H 1 3.930 0.001 . 1 . . 642 . A 840 ILE HA . 30297 1 1059 . 1 1 89 89 ILE HB H 1 2.025 0.003 . 1 . . 680 . A 840 ILE HB . 30297 1 1060 . 1 1 89 89 ILE HG12 H 1 1.265 0.01 . 1 . . 643 . A 840 ILE HG12 . 30297 1 1061 . 1 1 89 89 ILE HG21 H 1 0.930 0.004 . 1 . . 973 . A 840 ILE HG21 . 30297 1 1062 . 1 1 89 89 ILE HG22 H 1 0.930 0.004 . 1 . . 973 . A 840 ILE HG22 . 30297 1 1063 . 1 1 89 89 ILE HG23 H 1 0.930 0.004 . 1 . . 973 . A 840 ILE HG23 . 30297 1 1064 . 1 1 89 89 ILE HD11 H 1 0.847 0.007 . 1 . . 975 . A 840 ILE HD11 . 30297 1 1065 . 1 1 89 89 ILE HD12 H 1 0.847 0.007 . 1 . . 975 . A 840 ILE HD12 . 30297 1 1066 . 1 1 89 89 ILE HD13 H 1 0.847 0.007 . 1 . . 975 . A 840 ILE HD13 . 30297 1 1067 . 1 1 89 89 ILE C C 13 176.934 0.1 . 1 . . 412 . A 840 ILE C . 30297 1 1068 . 1 1 89 89 ILE CA C 13 63.523 0.059 . 1 . . 265 . A 840 ILE CA . 30297 1 1069 . 1 1 89 89 ILE CB C 13 38.150 0.05 . 1 . . 297 . A 840 ILE CB . 30297 1 1070 . 1 1 89 89 ILE CG1 C 13 28.597 0.013 . 1 . . 682 . A 840 ILE CG1 . 30297 1 1071 . 1 1 89 89 ILE CG2 C 13 18.027 0.037 . 1 . . 974 . A 840 ILE CG2 . 30297 1 1072 . 1 1 89 89 ILE CD1 C 13 13.787 0.05 . 1 . . 976 . A 840 ILE CD1 . 30297 1 1073 . 1 1 89 89 ILE N N 15 114.723 0.018 . 1 . . 134 . A 840 ILE N . 30297 1 1074 . 1 1 90 90 ARG H H 1 7.660 0.002 . 1 . . 71 . A 841 ARG H . 30297 1 1075 . 1 1 90 90 ARG HA H 1 3.895 0.004 . 1 . . 769 . A 841 ARG HA . 30297 1 1076 . 1 1 90 90 ARG HB2 H 1 2.015 0.01 . 1 . . 886 . A 841 ARG HB2 . 30297 1 1077 . 1 1 90 90 ARG HG2 H 1 1.385 0.0 . 2 . . 1012 . A 841 ARG HG2 . 30297 1 1078 . 1 1 90 90 ARG HG3 H 1 1.295 0.001 . 2 . . 1011 . A 841 ARG HG3 . 30297 1 1079 . 1 1 90 90 ARG HD2 H 1 2.930 0.004 . 2 . . 961 . A 841 ARG HD2 . 30297 1 1080 . 1 1 90 90 ARG HD3 H 1 2.881 0.002 . 2 . . 887 . A 841 ARG HD3 . 30297 1 1081 . 1 1 90 90 ARG C C 13 176.356 0.1 . 1 . . 383 . A 841 ARG C . 30297 1 1082 . 1 1 90 90 ARG CA C 13 58.313 0.066 . 1 . . 259 . A 841 ARG CA . 30297 1 1083 . 1 1 90 90 ARG CB C 13 29.575 0.028 . 1 . . 247 . A 841 ARG CB . 30297 1 1084 . 1 1 90 90 ARG CG C 13 26.944 0.034 . 1 . . 770 . A 841 ARG CG . 30297 1 1085 . 1 1 90 90 ARG CD C 13 43.360 0.068 . 1 . . 962 . A 841 ARG CD . 30297 1 1086 . 1 1 90 90 ARG N N 15 117.695 0.042 . 1 . . 72 . A 841 ARG N . 30297 1 1087 . 1 1 91 91 HIS H H 1 7.767 0.008 . 1 . . 129 . A 842 HIS H . 30297 1 1088 . 1 1 91 91 HIS HA H 1 4.674 0.008 . 1 . . 831 . A 842 HIS HA . 30297 1 1089 . 1 1 91 91 HIS HB2 H 1 3.147 0.005 . 2 . . 644 . A 842 HIS HB2 . 30297 1 1090 . 1 1 91 91 HIS HB3 H 1 3.309 0.004 . 2 . . 1126 . A 842 HIS HB3 . 30297 1 1091 . 1 1 91 91 HIS HD2 H 1 7.121 0.005 . 1 . . 959 . A 842 HIS HD2 . 30297 1 1092 . 1 1 91 91 HIS HE1 H 1 8.063 0.006 . 1 . . 914 . A 842 HIS HE1 . 30297 1 1093 . 1 1 91 91 HIS CA C 13 56.422 0.065 . 1 . . 830 . A 842 HIS CA . 30297 1 1094 . 1 1 91 91 HIS CB C 13 30.535 0.044 . 1 . . 327 . A 842 HIS CB . 30297 1 1095 . 1 1 91 91 HIS CD2 C 13 119.937 0.1 . 1 . . 960 . A 842 HIS CD2 . 30297 1 1096 . 1 1 91 91 HIS CE1 C 13 138.015 0.1 . 1 . . 842 . A 842 HIS CE1 . 30297 1 1097 . 1 1 91 91 HIS N N 15 115.702 0.041 . 1 . . 130 . A 842 HIS N . 30297 1 1098 . 1 1 92 92 ILE HA H 1 4.035 0.005 . 1 . . 1233 . A 843 ILE HA . 30297 1 1099 . 1 1 92 92 ILE HB H 1 1.869 0.004 . 1 . . 1230 . A 843 ILE HB . 30297 1 1100 . 1 1 92 92 ILE HG21 H 1 0.909 0.003 . 1 . . 1236 . A 843 ILE HG21 . 30297 1 1101 . 1 1 92 92 ILE HG22 H 1 0.909 0.003 . 1 . . 1236 . A 843 ILE HG22 . 30297 1 1102 . 1 1 92 92 ILE HG23 H 1 0.909 0.003 . 1 . . 1236 . A 843 ILE HG23 . 30297 1 1103 . 1 1 92 92 ILE HD11 H 1 0.859 0.01 . 1 . . 1238 . A 843 ILE HD11 . 30297 1 1104 . 1 1 92 92 ILE HD12 H 1 0.859 0.01 . 1 . . 1238 . A 843 ILE HD12 . 30297 1 1105 . 1 1 92 92 ILE HD13 H 1 0.859 0.01 . 1 . . 1238 . A 843 ILE HD13 . 30297 1 1106 . 1 1 92 92 ILE CA C 13 63.120 0.079 . 1 . . 1232 . A 843 ILE CA . 30297 1 1107 . 1 1 92 92 ILE CB C 13 39.369 0.064 . 1 . . 1231 . A 843 ILE CB . 30297 1 1108 . 1 1 92 92 ILE CG1 C 13 27.578 0.005 . 1 . . 1234 . A 843 ILE CG1 . 30297 1 1109 . 1 1 92 92 ILE CG2 C 13 18.093 0.044 . 1 . . 1235 . A 843 ILE CG2 . 30297 1 1110 . 1 1 92 92 ILE CD1 C 13 13.964 0.004 . 1 . . 1237 . A 843 ILE CD1 . 30297 1 1111 . 1 1 93 93 PRO HB2 H 1 2.005 0.01 . 1 . . 1098 . A 844 PRO HB2 . 30297 1 1112 . 1 1 93 93 PRO HG2 H 1 1.949 0.001 . 1 . . 1097 . A 844 PRO HG2 . 30297 1 1113 . 1 1 93 93 PRO HD2 H 1 3.761 0.009 . 2 . . 1096 . A 844 PRO HD2 . 30297 1 1114 . 1 1 93 93 PRO HD3 H 1 3.644 0.013 . 2 . . 1095 . A 844 PRO HD3 . 30297 1 1115 . 1 1 93 93 PRO CD C 13 50.589 0.049 . 1 . . 1094 . A 844 PRO CD . 30297 1 1116 . 1 1 94 94 ARG HB2 H 1 1.966 0.01 . 1 . . 1127 . A 845 ARG HB2 . 30297 1 1117 . 1 1 96 96 ILE HA H 1 3.765 0.01 . 1 . . 1229 . A 847 ILE HA . 30297 1 1118 . 1 1 96 96 ILE HB H 1 1.997 0.002 . 1 . . 1100 . A 847 ILE HB . 30297 1 1119 . 1 1 96 96 ILE HG21 H 1 0.870 0.003 . 1 . . 1228 . A 847 ILE HG21 . 30297 1 1120 . 1 1 96 96 ILE HG22 H 1 0.870 0.003 . 1 . . 1228 . A 847 ILE HG22 . 30297 1 1121 . 1 1 96 96 ILE HG23 H 1 0.870 0.003 . 1 . . 1228 . A 847 ILE HG23 . 30297 1 1122 . 1 1 96 96 ILE HD11 H 1 0.820 0.002 . 1 . . 1226 . A 847 ILE HD11 . 30297 1 1123 . 1 1 96 96 ILE HD12 H 1 0.820 0.002 . 1 . . 1226 . A 847 ILE HD12 . 30297 1 1124 . 1 1 96 96 ILE HD13 H 1 0.820 0.002 . 1 . . 1226 . A 847 ILE HD13 . 30297 1 1125 . 1 1 96 96 ILE C C 13 177.839 0.1 . 1 . . 444 . A 847 ILE C . 30297 1 1126 . 1 1 96 96 ILE CA C 13 64.587 0.044 . 1 . . 544 . A 847 ILE CA . 30297 1 1127 . 1 1 96 96 ILE CB C 13 37.298 0.074 . 1 . . 1099 . A 847 ILE CB . 30297 1 1128 . 1 1 96 96 ILE CG1 C 13 28.997 0.008 . 1 . . 1102 . A 847 ILE CG1 . 30297 1 1129 . 1 1 96 96 ILE CG2 C 13 17.414 0.025 . 1 . . 1227 . A 847 ILE CG2 . 30297 1 1130 . 1 1 96 96 ILE CD1 C 13 12.956 0.045 . 1 . . 1101 . A 847 ILE CD1 . 30297 1 1131 . 1 1 97 97 ARG H H 1 8.060 0.009 . 1 . . 547 . A 848 ARG H . 30297 1 1132 . 1 1 97 97 ARG HA H 1 3.832 0.004 . 1 . . 771 . A 848 ARG HA . 30297 1 1133 . 1 1 97 97 ARG HB2 H 1 2.000 0.006 . 2 . . 1130 . A 848 ARG HB2 . 30297 1 1134 . 1 1 97 97 ARG HB3 H 1 1.885 0.003 . 2 . . 1131 . A 848 ARG HB3 . 30297 1 1135 . 1 1 97 97 ARG HG2 H 1 1.662 0.01 . 1 . . 1132 . A 848 ARG HG2 . 30297 1 1136 . 1 1 97 97 ARG C C 13 177.428 0.1 . 1 . . 387 . A 848 ARG C . 30297 1 1137 . 1 1 97 97 ARG CA C 13 60.462 0.063 . 1 . . 507 . A 848 ARG CA . 30297 1 1138 . 1 1 97 97 ARG CB C 13 29.961 0.072 . 1 . . 508 . A 848 ARG CB . 30297 1 1139 . 1 1 97 97 ARG CG C 13 28.040 0.008 . 1 . . 772 . A 848 ARG CG . 30297 1 1140 . 1 1 97 97 ARG CD C 13 43.557 0.016 . 1 . . 1133 . A 848 ARG CD . 30297 1 1141 . 1 1 97 97 ARG N N 15 119.801 0.04 . 1 . . 548 . A 848 ARG N . 30297 1 1142 . 1 1 98 98 GLN H H 1 8.309 0.005 . 1 . . 119 . A 849 GLN H . 30297 1 1143 . 1 1 98 98 GLN HA H 1 4.118 0.004 . 1 . . 778 . A 849 GLN HA . 30297 1 1144 . 1 1 98 98 GLN HB2 H 1 2.188 0.01 . 2 . . 1048 . A 849 GLN HB2 . 30297 1 1145 . 1 1 98 98 GLN HB3 H 1 2.065 0.009 . 2 . . 645 . A 849 GLN HB3 . 30297 1 1146 . 1 1 98 98 GLN HG2 H 1 2.558 0.007 . 2 . . 780 . A 849 GLN HG2 . 30297 1 1147 . 1 1 98 98 GLN HG3 H 1 2.394 0.007 . 2 . . 875 . A 849 GLN HG3 . 30297 1 1148 . 1 1 98 98 GLN HE21 H 1 7.435 0.01 . 1 . . 558 . A 849 GLN HE21 . 30297 1 1149 . 1 1 98 98 GLN HE22 H 1 6.709 0.01 . 1 . . 573 . A 849 GLN HE22 . 30297 1 1150 . 1 1 98 98 GLN C C 13 178.141 0.1 . 1 . . 473 . A 849 GLN C . 30297 1 1151 . 1 1 98 98 GLN CA C 13 58.857 0.059 . 1 . . 193 . A 849 GLN CA . 30297 1 1152 . 1 1 98 98 GLN CB C 13 28.720 0.027 . 1 . . 194 . A 849 GLN CB . 30297 1 1153 . 1 1 98 98 GLN CG C 13 34.593 0.044 . 1 . . 779 . A 849 GLN CG . 30297 1 1154 . 1 1 98 98 GLN N N 15 116.509 0.023 . 1 . . 120 . A 849 GLN N . 30297 1 1155 . 1 1 98 98 GLN NE2 N 15 110.763 0.001 . 1 . . 574 . A 849 GLN NE2 . 30297 1 1156 . 1 1 99 99 GLY H H 1 7.983 0.011 . 1 . . 191 . A 850 GLY H . 30297 1 1157 . 1 1 99 99 GLY HA2 H 1 3.669 0.01 . 2 . . 1320 . A 850 GLY HA2 . 30297 1 1158 . 1 1 99 99 GLY HA3 H 1 3.911 0.0 . 2 . . 1321 . A 850 GLY HA3 . 30297 1 1159 . 1 1 99 99 GLY C C 13 174.460 0.1 . 1 . . 449 . A 850 GLY C . 30297 1 1160 . 1 1 99 99 GLY CA C 13 47.287 0.081 . 1 . . 190 . A 850 GLY CA . 30297 1 1161 . 1 1 99 99 GLY N N 15 106.871 0.05 . 1 . . 192 . A 850 GLY N . 30297 1 1162 . 1 1 100 100 LEU H H 1 8.155 0.005 . 1 . . 189 . A 851 LEU H . 30297 1 1163 . 1 1 100 100 LEU HA H 1 4.123 0.003 . 1 . . 1287 . A 851 LEU HA . 30297 1 1164 . 1 1 100 100 LEU HB2 H 1 1.932 0.01 . 1 . . 646 . A 851 LEU HB2 . 30297 1 1165 . 1 1 100 100 LEU HB3 H 1 1.932 0.01 . 1 . . 1239 . A 851 LEU HB3 . 30297 1 1166 . 1 1 100 100 LEU HG H 1 1.871 0.01 . 1 . . 1071 . A 851 LEU HG . 30297 1 1167 . 1 1 100 100 LEU HD11 H 1 0.861 0.002 . 2 . . 895 . A 851 LEU HD11 . 30297 1 1168 . 1 1 100 100 LEU HD12 H 1 0.861 0.002 . 2 . . 895 . A 851 LEU HD12 . 30297 1 1169 . 1 1 100 100 LEU HD13 H 1 0.861 0.002 . 2 . . 895 . A 851 LEU HD13 . 30297 1 1170 . 1 1 100 100 LEU HD21 H 1 0.862 0.0 . 2 . . 1103 . A 851 LEU HD21 . 30297 1 1171 . 1 1 100 100 LEU HD22 H 1 0.862 0.0 . 2 . . 1103 . A 851 LEU HD22 . 30297 1 1172 . 1 1 100 100 LEU HD23 H 1 0.862 0.0 . 2 . . 1103 . A 851 LEU HD23 . 30297 1 1173 . 1 1 100 100 LEU C C 13 178.116 0.1 . 1 . . 409 . A 851 LEU C . 30297 1 1174 . 1 1 100 100 LEU CA C 13 57.473 0.023 . 1 . . 186 . A 851 LEU CA . 30297 1 1175 . 1 1 100 100 LEU CB C 13 42.081 0.025 . 1 . . 187 . A 851 LEU CB . 30297 1 1176 . 1 1 100 100 LEU CG C 13 26.856 0.003 . 1 . . 898 . A 851 LEU CG . 30297 1 1177 . 1 1 100 100 LEU CD1 C 13 25.791 0.025 . 2 . . 896 . A 851 LEU CD1 . 30297 1 1178 . 1 1 100 100 LEU CD2 C 13 23.579 0.012 . 2 . . 897 . A 851 LEU CD2 . 30297 1 1179 . 1 1 100 100 LEU N N 15 120.240 0.027 . 1 . . 188 . A 851 LEU N . 30297 1 1180 . 1 1 101 101 GLU H H 1 8.159 0.001 . 1 . . 103 . A 852 GLU H . 30297 1 1181 . 1 1 101 101 GLU HA H 1 3.884 0.004 . 1 . . 785 . A 852 GLU HA . 30297 1 1182 . 1 1 101 101 GLU HB2 H 1 2.089 0.01 . 2 . . 1136 . A 852 GLU HB2 . 30297 1 1183 . 1 1 101 101 GLU HB3 H 1 2.208 0.002 . 2 . . 648 . A 852 GLU HB3 . 30297 1 1184 . 1 1 101 101 GLU HG2 H 1 2.497 0.003 . 2 . . 647 . A 852 GLU HG2 . 30297 1 1185 . 1 1 101 101 GLU HG3 H 1 2.494 0.01 . 2 . . 1060 . A 852 GLU HG3 . 30297 1 1186 . 1 1 101 101 GLU C C 13 177.442 0.1 . 1 . . 381 . A 852 GLU C . 30297 1 1187 . 1 1 101 101 GLU CA C 13 59.676 0.082 . 1 . . 184 . A 852 GLU CA . 30297 1 1188 . 1 1 101 101 GLU CB C 13 29.720 0.061 . 1 . . 185 . A 852 GLU CB . 30297 1 1189 . 1 1 101 101 GLU CG C 13 36.816 0.011 . 1 . . 786 . A 852 GLU CG . 30297 1 1190 . 1 1 101 101 GLU N N 15 117.974 0.013 . 1 . . 104 . A 852 GLU N . 30297 1 1191 . 1 1 102 102 ARG H H 1 7.534 0.003 . 1 . . 147 . A 853 ARG H . 30297 1 1192 . 1 1 102 102 ARG HA H 1 4.206 0.003 . 1 . . 773 . A 853 ARG HA . 30297 1 1193 . 1 1 102 102 ARG HB2 H 1 2.012 0.002 . 2 . . 774 . A 853 ARG HB2 . 30297 1 1194 . 1 1 102 102 ARG HB3 H 1 2.010 0.0 . 2 . . 1135 . A 853 ARG HB3 . 30297 1 1195 . 1 1 102 102 ARG HG2 H 1 1.821 0.01 . 1 . . 650 . A 853 ARG HG2 . 30297 1 1196 . 1 1 102 102 ARG HD2 H 1 3.241 0.01 . 1 . . 649 . A 853 ARG HD2 . 30297 1 1197 . 1 1 102 102 ARG C C 13 177.017 0.1 . 1 . . 379 . A 853 ARG C . 30297 1 1198 . 1 1 102 102 ARG CA C 13 57.824 0.066 . 1 . . 182 . A 853 ARG CA . 30297 1 1199 . 1 1 102 102 ARG CB C 13 30.388 0.007 . 1 . . 183 . A 853 ARG CB . 30297 1 1200 . 1 1 102 102 ARG CG C 13 27.535 0.042 . 1 . . 775 . A 853 ARG CG . 30297 1 1201 . 1 1 102 102 ARG CD C 13 43.465 0.1 . 1 . . 776 . A 853 ARG CD . 30297 1 1202 . 1 1 102 102 ARG N N 15 115.304 0.012 . 1 . . 148 . A 853 ARG N . 30297 1 1203 . 1 1 103 103 ILE H H 1 7.480 0.001 . 1 . . 150 . A 854 ILE H . 30297 1 1204 . 1 1 103 103 ILE HA H 1 4.182 0.002 . 1 . . 651 . A 854 ILE HA . 30297 1 1205 . 1 1 103 103 ILE HB H 1 1.977 0.001 . 1 . . 687 . A 854 ILE HB . 30297 1 1206 . 1 1 103 103 ILE HG12 H 1 1.336 0.004 . 2 . . 652 . A 854 ILE HG12 . 30297 1 1207 . 1 1 103 103 ILE HG13 H 1 1.651 0.01 . 2 . . 1218 . A 854 ILE HG13 . 30297 1 1208 . 1 1 103 103 ILE HG21 H 1 0.948 0.004 . 1 . . 888 . A 854 ILE HG21 . 30297 1 1209 . 1 1 103 103 ILE HG22 H 1 0.948 0.004 . 1 . . 888 . A 854 ILE HG22 . 30297 1 1210 . 1 1 103 103 ILE HG23 H 1 0.948 0.004 . 1 . . 888 . A 854 ILE HG23 . 30297 1 1211 . 1 1 103 103 ILE HD11 H 1 0.860 0.003 . 1 . . 691 . A 854 ILE HD11 . 30297 1 1212 . 1 1 103 103 ILE HD12 H 1 0.860 0.003 . 1 . . 691 . A 854 ILE HD12 . 30297 1 1213 . 1 1 103 103 ILE HD13 H 1 0.860 0.003 . 1 . . 691 . A 854 ILE HD13 . 30297 1 1214 . 1 1 103 103 ILE C C 13 175.210 0.1 . 1 . . 417 . A 854 ILE C . 30297 1 1215 . 1 1 103 103 ILE CA C 13 62.602 0.054 . 1 . . 181 . A 854 ILE CA . 30297 1 1216 . 1 1 103 103 ILE CB C 13 39.177 0.038 . 1 . . 180 . A 854 ILE CB . 30297 1 1217 . 1 1 103 103 ILE CG1 C 13 28.009 0.023 . 1 . . 688 . A 854 ILE CG1 . 30297 1 1218 . 1 1 103 103 ILE CG2 C 13 17.997 0.062 . 1 . . 689 . A 854 ILE CG2 . 30297 1 1219 . 1 1 103 103 ILE CD1 C 13 13.881 0.009 . 1 . . 690 . A 854 ILE CD1 . 30297 1 1220 . 1 1 103 103 ILE N N 15 114.701 0.016 . 1 . . 149 . A 854 ILE N . 30297 1 1221 . 1 1 104 104 LEU H H 1 7.680 0.004 . 1 . . 65 . A 855 LEU H . 30297 1 1222 . 1 1 104 104 LEU HA H 1 4.383 0.004 . 1 . . 653 . A 855 LEU HA . 30297 1 1223 . 1 1 104 104 LEU HB2 H 1 1.701 0.005 . 2 . . 1137 . A 855 LEU HB2 . 30297 1 1224 . 1 1 104 104 LEU HB3 H 1 1.598 0.0 . 2 . . 1241 . A 855 LEU HB3 . 30297 1 1225 . 1 1 104 104 LEU HG H 1 1.593 0.01 . 1 . . 654 . A 855 LEU HG . 30297 1 1226 . 1 1 104 104 LEU HD11 H 1 0.883 0.002 . 1 . . 1340 . A 855 LEU HD11 . 30297 1 1227 . 1 1 104 104 LEU HD12 H 1 0.883 0.002 . 1 . . 1340 . A 855 LEU HD12 . 30297 1 1228 . 1 1 104 104 LEU HD13 H 1 0.883 0.002 . 1 . . 1340 . A 855 LEU HD13 . 30297 1 1229 . 1 1 104 104 LEU C C 13 175.258 0.1 . 1 . . 839 . A 855 LEU C . 30297 1 1230 . 1 1 104 104 LEU CA C 13 55.589 0.043 . 1 . . 179 . A 855 LEU CA . 30297 1 1231 . 1 1 104 104 LEU CB C 13 43.551 0.043 . 1 . . 1240 . A 855 LEU CB . 30297 1 1232 . 1 1 104 104 LEU CG C 13 26.853 0.018 . 1 . . 894 . A 855 LEU CG . 30297 1 1233 . 1 1 104 104 LEU CD1 C 13 25.916 0.033 . 2 . . 1338 . A 855 LEU CD1 . 30297 1 1234 . 1 1 104 104 LEU CD2 C 13 23.479 0.02 . 2 . . 1339 . A 855 LEU CD2 . 30297 1 1235 . 1 1 104 104 LEU N N 15 118.681 0.051 . 1 . . 66 . A 855 LEU N . 30297 1 1236 . 1 1 105 105 LEU H H 1 7.304 0.001 . 1 . . 161 . A 856 LEU H . 30297 1 1237 . 1 1 105 105 LEU HA H 1 4.234 0.001 . 1 . . 656 . A 856 LEU HA . 30297 1 1238 . 1 1 105 105 LEU HB2 H 1 1.724 0.002 . 2 . . 1128 . A 856 LEU HB2 . 30297 1 1239 . 1 1 105 105 LEU HB3 H 1 1.615 0.002 . 2 . . 1129 . A 856 LEU HB3 . 30297 1 1240 . 1 1 105 105 LEU HG H 1 1.610 0.01 . 1 . . 655 . A 856 LEU HG . 30297 1 1241 . 1 1 105 105 LEU HD11 H 1 0.920 0.002 . 1 . . 899 . A 856 LEU HD11 . 30297 1 1242 . 1 1 105 105 LEU HD12 H 1 0.920 0.002 . 1 . . 899 . A 856 LEU HD12 . 30297 1 1243 . 1 1 105 105 LEU HD13 H 1 0.920 0.002 . 1 . . 899 . A 856 LEU HD13 . 30297 1 1244 . 1 1 105 105 LEU CA C 13 56.504 0.033 . 1 . . 177 . A 856 LEU CA . 30297 1 1245 . 1 1 105 105 LEU CB C 13 43.605 0.028 . 1 . . 178 . A 856 LEU CB . 30297 1 1246 . 1 1 105 105 LEU CG C 13 27.376 0.1 . 1 . . 1025 . A 856 LEU CG . 30297 1 1247 . 1 1 105 105 LEU CD1 C 13 25.690 0.04 . 2 . . 900 . A 856 LEU CD1 . 30297 1 1248 . 1 1 105 105 LEU CD2 C 13 23.840 0.1 . 2 . . 1341 . A 856 LEU CD2 . 30297 1 1249 . 1 1 105 105 LEU N N 15 124.125 0.045 . 1 . . 162 . A 856 LEU N . 30297 1 stop_ save_