data_30201 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 30201 _Entry.Title ; solution structure of nysgrc-2016 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2016-11-10 _Entry.Accession_date 2016-11-10 _Entry.Last_release_date 2016-11-22 _Entry.Original_release_date 2016-11-22 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1.2.6 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 K. Dutta K. . . . 30201 2 P. Sampathkumar P. . . . 30201 3 D. Cowburn D. . . . 30201 4 S. Almo S. C. . . 30201 5 M. Rout M. P. . . 30201 6 J. Fernandez-Martinez J. . . . 30201 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'Ig-like fold' . 30201 'Nuclear Pore Complex' . 30201 'cadherin like fold' . 30201 'nuclear envelope membrane' . 30201 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 30201 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 471 30201 '15N chemical shifts' 106 30201 '1H chemical shifts' 760 30201 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2017-04-20 2016-11-10 update BMRB 'update entry citation' 30201 1 . . 2017-02-16 2016-11-10 original author 'original release' 30201 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 5TVZ 'BMRB Entry Tracking System' 30201 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 30201 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 28162953 _Citation.Full_citation . _Citation.Title ; Molecular Architecture of the Major Membrane Ring Component of the Nuclear Pore Complex ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Structure _Citation.Journal_name_full 'Structure (London, England : 1993)' _Citation.Journal_volume 25 _Citation.Journal_issue 3 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1878-4186 _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 434 _Citation.Page_last 445 _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 P. Upla P. . . . 30201 1 2 S. Kim S. J. . . 30201 1 3 K. Dutta K. . . . 30201 1 4 P. Sampathkumar P. . . . 30201 1 5 S. Cahill S. M. . . 30201 1 6 I. Chemmama I. E. . . 30201 1 7 R. Williams R. . . . 30201 1 8 J. Bonanno J. B. . . 30201 1 9 W. Rice W. J. . . 30201 1 10 D. Stokes D. L. . . 30201 1 11 D. Cowburn D. . . . 30201 1 12 S. Almo S. C. . . 30201 1 13 A. Sali A. . . . 30201 1 14 M. Rout M. P. . . 30201 1 15 J. Fernandez-Martinez J. . . . 30201 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 30201 _Assembly.ID 1 _Assembly.Name 'Nucleoporin POM152' _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 . . . . . . 30201 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 . 1 CYS 20 20 SG . 1 . 1 CYS 90 90 SG . . . . . . . . . . 30201 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 30201 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Nucleoporin POM152' _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 ; MSLRVKPSASLKLHHDLKLC LGDHSSVPVALKGQGPFTLT YDIIETFSSKRKTFEIKEIK TNEYVIKTPVFTTGGDYILS LVSIKDSTGCVVGLSQPDAK IQVRRDEGHHHHHH ; _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 114 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state . _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment 'UNP residues 718-820' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 12741.649 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details 'Nuclear Pore Complex Assembly: Pore membrane protein (POM)' _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Nuclear pore protein POM152' na 30201 1 P150 na 30201 1 'Pore membrane protein POM152' na 30201 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 715 MET . 30201 1 2 716 SER . 30201 1 3 717 LEU . 30201 1 4 718 ARG . 30201 1 5 719 VAL . 30201 1 6 720 LYS . 30201 1 7 721 PRO . 30201 1 8 722 SER . 30201 1 9 723 ALA . 30201 1 10 724 SER . 30201 1 11 725 LEU . 30201 1 12 726 LYS . 30201 1 13 727 LEU . 30201 1 14 728 HIS . 30201 1 15 729 HIS . 30201 1 16 730 ASP . 30201 1 17 731 LEU . 30201 1 18 732 LYS . 30201 1 19 733 LEU . 30201 1 20 734 CYS . 30201 1 21 735 LEU . 30201 1 22 736 GLY . 30201 1 23 737 ASP . 30201 1 24 738 HIS . 30201 1 25 739 SER . 30201 1 26 740 SER . 30201 1 27 741 VAL . 30201 1 28 742 PRO . 30201 1 29 743 VAL . 30201 1 30 744 ALA . 30201 1 31 745 LEU . 30201 1 32 746 LYS . 30201 1 33 747 GLY . 30201 1 34 748 GLN . 30201 1 35 749 GLY . 30201 1 36 750 PRO . 30201 1 37 751 PHE . 30201 1 38 752 THR . 30201 1 39 753 LEU . 30201 1 40 754 THR . 30201 1 41 755 TYR . 30201 1 42 756 ASP . 30201 1 43 757 ILE . 30201 1 44 758 ILE . 30201 1 45 759 GLU . 30201 1 46 760 THR . 30201 1 47 761 PHE . 30201 1 48 762 SER . 30201 1 49 763 SER . 30201 1 50 764 LYS . 30201 1 51 765 ARG . 30201 1 52 766 LYS . 30201 1 53 767 THR . 30201 1 54 768 PHE . 30201 1 55 769 GLU . 30201 1 56 770 ILE . 30201 1 57 771 LYS . 30201 1 58 772 GLU . 30201 1 59 773 ILE . 30201 1 60 774 LYS . 30201 1 61 775 THR . 30201 1 62 776 ASN . 30201 1 63 777 GLU . 30201 1 64 778 TYR . 30201 1 65 779 VAL . 30201 1 66 780 ILE . 30201 1 67 781 LYS . 30201 1 68 782 THR . 30201 1 69 783 PRO . 30201 1 70 784 VAL . 30201 1 71 785 PHE . 30201 1 72 786 THR . 30201 1 73 787 THR . 30201 1 74 788 GLY . 30201 1 75 789 GLY . 30201 1 76 790 ASP . 30201 1 77 791 TYR . 30201 1 78 792 ILE . 30201 1 79 793 LEU . 30201 1 80 794 SER . 30201 1 81 795 LEU . 30201 1 82 796 VAL . 30201 1 83 797 SER . 30201 1 84 798 ILE . 30201 1 85 799 LYS . 30201 1 86 800 ASP . 30201 1 87 801 SER . 30201 1 88 802 THR . 30201 1 89 803 GLY . 30201 1 90 804 CYS . 30201 1 91 805 VAL . 30201 1 92 806 VAL . 30201 1 93 807 GLY . 30201 1 94 808 LEU . 30201 1 95 809 SER . 30201 1 96 810 GLN . 30201 1 97 811 PRO . 30201 1 98 812 ASP . 30201 1 99 813 ALA . 30201 1 100 814 LYS . 30201 1 101 815 ILE . 30201 1 102 816 GLN . 30201 1 103 817 VAL . 30201 1 104 818 ARG . 30201 1 105 819 ARG . 30201 1 106 820 ASP . 30201 1 107 821 GLU . 30201 1 108 822 GLY . 30201 1 109 823 HIS . 30201 1 110 824 HIS . 30201 1 111 825 HIS . 30201 1 112 826 HIS . 30201 1 113 827 HIS . 30201 1 114 828 HIS . 30201 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 30201 1 . SER 2 2 30201 1 . LEU 3 3 30201 1 . ARG 4 4 30201 1 . VAL 5 5 30201 1 . LYS 6 6 30201 1 . PRO 7 7 30201 1 . SER 8 8 30201 1 . ALA 9 9 30201 1 . SER 10 10 30201 1 . LEU 11 11 30201 1 . LYS 12 12 30201 1 . LEU 13 13 30201 1 . HIS 14 14 30201 1 . HIS 15 15 30201 1 . ASP 16 16 30201 1 . LEU 17 17 30201 1 . LYS 18 18 30201 1 . LEU 19 19 30201 1 . CYS 20 20 30201 1 . LEU 21 21 30201 1 . GLY 22 22 30201 1 . ASP 23 23 30201 1 . HIS 24 24 30201 1 . SER 25 25 30201 1 . SER 26 26 30201 1 . VAL 27 27 30201 1 . PRO 28 28 30201 1 . VAL 29 29 30201 1 . ALA 30 30 30201 1 . LEU 31 31 30201 1 . LYS 32 32 30201 1 . GLY 33 33 30201 1 . GLN 34 34 30201 1 . GLY 35 35 30201 1 . PRO 36 36 30201 1 . PHE 37 37 30201 1 . THR 38 38 30201 1 . LEU 39 39 30201 1 . THR 40 40 30201 1 . TYR 41 41 30201 1 . ASP 42 42 30201 1 . ILE 43 43 30201 1 . ILE 44 44 30201 1 . GLU 45 45 30201 1 . THR 46 46 30201 1 . PHE 47 47 30201 1 . SER 48 48 30201 1 . SER 49 49 30201 1 . LYS 50 50 30201 1 . ARG 51 51 30201 1 . LYS 52 52 30201 1 . THR 53 53 30201 1 . PHE 54 54 30201 1 . GLU 55 55 30201 1 . ILE 56 56 30201 1 . LYS 57 57 30201 1 . GLU 58 58 30201 1 . ILE 59 59 30201 1 . LYS 60 60 30201 1 . THR 61 61 30201 1 . ASN 62 62 30201 1 . GLU 63 63 30201 1 . TYR 64 64 30201 1 . VAL 65 65 30201 1 . ILE 66 66 30201 1 . LYS 67 67 30201 1 . THR 68 68 30201 1 . PRO 69 69 30201 1 . VAL 70 70 30201 1 . PHE 71 71 30201 1 . THR 72 72 30201 1 . THR 73 73 30201 1 . GLY 74 74 30201 1 . GLY 75 75 30201 1 . ASP 76 76 30201 1 . TYR 77 77 30201 1 . ILE 78 78 30201 1 . LEU 79 79 30201 1 . SER 80 80 30201 1 . LEU 81 81 30201 1 . VAL 82 82 30201 1 . SER 83 83 30201 1 . ILE 84 84 30201 1 . LYS 85 85 30201 1 . ASP 86 86 30201 1 . SER 87 87 30201 1 . THR 88 88 30201 1 . GLY 89 89 30201 1 . CYS 90 90 30201 1 . VAL 91 91 30201 1 . VAL 92 92 30201 1 . GLY 93 93 30201 1 . LEU 94 94 30201 1 . SER 95 95 30201 1 . GLN 96 96 30201 1 . PRO 97 97 30201 1 . ASP 98 98 30201 1 . ALA 99 99 30201 1 . LYS 100 100 30201 1 . ILE 101 101 30201 1 . GLN 102 102 30201 1 . VAL 103 103 30201 1 . ARG 104 104 30201 1 . ARG 105 105 30201 1 . ASP 106 106 30201 1 . GLU 107 107 30201 1 . GLY 108 108 30201 1 . HIS 109 109 30201 1 . HIS 110 110 30201 1 . HIS 111 111 30201 1 . HIS 112 112 30201 1 . HIS 113 113 30201 1 . HIS 114 114 30201 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 30201 _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 . 4932 . . 'Saccharomyces cerevisiae' "Baker's yeast" . . Eukaryota Fungi Saccharomyces cerevisiae . . . . . . . . . . . POM152 . 30201 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 30201 _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' . . 562 Escherichia coli BL21(DE3)CodonPlusRIL . . 'pSGX3_BC (modified pET26b)' . . . . . . 30201 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 30201 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '235 uM [U-100% 13C; U-100% 15N] POM152, 90% H2O/10% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 POM152 '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 235 . . uM . . . . 30201 1 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 30201 1 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 30201 1 4 NaCl 'natural abundance' . . . . . . 150 . . mM . . . . 30201 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 30201 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details '402 uM [U-100% 13C; U-100% 15N] POM152, 90% H2O/10% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 POM152 '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 402 . . uM . . . . 30201 2 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 30201 2 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 30201 2 4 NaCl 'natural abundance' . . . . . . 150 . . mM . . . . 30201 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 30201 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details '300 uM [U-100% 13C; U-100% 15N] POM152, 90% H2O/10% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 POM152 '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 300 . . uM . . . . 30201 3 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 30201 3 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 30201 3 4 NaCl 'natural abundance' . . . . . . 150 . . mM . . . . 30201 3 stop_ save_ save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 30201 _Sample.ID 4 _Sample.Type solution _Sample.Sub_type . _Sample.Details '1.2 mM [U-100% 13C; U-100% 15N] POM152, 90% H2O/10% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 POM152 '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 1.2 . . mM . . . . 30201 4 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 30201 4 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 30201 4 4 NaCl 'natural abundance' . . . . . . 150 . . mM . . . . 30201 4 stop_ save_ save_sample_5 _Sample.Sf_category sample _Sample.Sf_framecode sample_5 _Sample.Entry_ID 30201 _Sample.ID 5 _Sample.Type solution _Sample.Sub_type . _Sample.Details '324 uM [U-100% 13C; U-100% 15N] POM152, 100% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% 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 POM152 '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 324 . . uM . . . . 30201 5 2 D2O 'natural abundance' . . . . . . 100 . . % . . . . 30201 5 3 NaCl 'natural abundance' . . . . . . 150 . . mM . . . . 30201 5 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 30201 _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' 160 . mM 30201 1 pH 6.8 . pH 30201 1 pressure 1 . atm 30201 1 temperature 298 . K 30201 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 30201 _Software.ID 1 _Software.Name ARIA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID "Linge, O'Donoghue and Nilges" . . 30201 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure calculation' 30201 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 30201 _Software.ID 2 _Software.Name CNS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 30201 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure calculation' 30201 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 30201 _Software.ID 3 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 30201 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 30201 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 30201 _Software.ID 4 _Software.Name NMRView _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 30201 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 30201 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 30201 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 30201 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_3 _NMR_spectrometer.Entry_ID 30201 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 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 30201 _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 DRX . 600 . . . 30201 1 2 NMR_spectrometer_2 Varian INOVA . 600 . . . 30201 1 3 NMR_spectrometer_3 Bruker DRX . 900 . . . 30201 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 30201 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30201 1 2 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30201 1 3 '3d HNCACO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30201 1 4 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . 30201 1 5 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . 30201 1 6 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . 30201 1 7 '3D CBCA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30201 1 8 '3D HBHA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 30201 1 9 '3D 1H-15N NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 30201 1 10 '3D H(CCO)NH' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30201 1 11 '3D C(CO)NH' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30201 1 12 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 5 $sample_5 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 30201 1 13 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 5 $sample_5 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 30201 1 14 '3D HCCH-TOCSY' no . . . . . . . . . . 5 $sample_5 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 30201 1 15 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 5 $sample_5 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . 30201 1 16 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 5 $sample_5 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . 30201 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 30201 _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 . . . . . 30201 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . 30201 1 N 15 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.10132912 . . . . . 30201 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 30201 _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 0.05 _Assigned_chem_shift_list.Chem_shift_13C_err 0.6 _Assigned_chem_shift_list.Chem_shift_15N_err 0.3 _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 30201 1 2 '3D HNCO' . . . 30201 1 3 '3d HNCACO' . . . 30201 1 4 '3D HNCA' . . . 30201 1 5 '3D HN(CO)CA' . . . 30201 1 6 '3D HNCACB' . . . 30201 1 7 '3D CBCA(CO)NH' . . . 30201 1 8 '3D HBHA(CO)NH' . . . 30201 1 9 '3D 1H-15N NOESY' . . . 30201 1 10 '3D H(CCO)NH' . . . 30201 1 11 '3D C(CO)NH' . . . 30201 1 12 '2D 1H-13C HSQC aliphatic' . . . 30201 1 13 '2D 1H-13C HSQC aromatic' . . . 30201 1 14 '3D HCCH-TOCSY' . . . 30201 1 15 '3D 1H-13C NOESY aliphatic' . . . 30201 1 16 '3D 1H-13C NOESY aromatic' . . . 30201 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 SER HA H 1 4.5160 0.05 . 1 . 31508 . A 716 SER HA . 30201 1 2 . 1 1 2 2 SER HB2 H 1 3.9370 0.05 . 2 . 31514 . A 716 SER HB2 . 30201 1 3 . 1 1 2 2 SER HB3 H 1 3.9370 0.05 . 2 . 31514 . A 716 SER HB3 . 30201 1 4 . 1 1 2 2 SER C C 13 174.3546 0.6 . 1 . 16640 . A 716 SER C . 30201 1 5 . 1 1 2 2 SER CA C 13 58.1807 0.6 . 1 . 14612 . A 716 SER CA . 30201 1 6 . 1 1 2 2 SER CB C 13 63.9000 0.6 . 1 . 14513 . A 716 SER CB . 30201 1 7 . 1 1 3 3 LEU H H 1 8.1873 0.05 . 1 . 14611 . A 717 LEU H . 30201 1 8 . 1 1 3 3 LEU HA H 1 4.4170 0.05 . 1 . 31544 . A 717 LEU HA . 30201 1 9 . 1 1 3 3 LEU HB2 H 1 1.6150 0.05 . 2 . 33152 . A 717 LEU HB2 . 30201 1 10 . 1 1 3 3 LEU HB3 H 1 1.6150 0.05 . 2 . 33152 . A 717 LEU HB3 . 30201 1 11 . 1 1 3 3 LEU HG H 1 1.6150 0.05 . 1 . 33152 . A 717 LEU HG . 30201 1 12 . 1 1 3 3 LEU HD11 H 1 0.9160 0.05 . 2 . 33164 . A 717 LEU HD11 . 30201 1 13 . 1 1 3 3 LEU HD12 H 1 0.9160 0.05 . 2 . 33164 . A 717 LEU HD12 . 30201 1 14 . 1 1 3 3 LEU HD13 H 1 0.9160 0.05 . 2 . 33164 . A 717 LEU HD13 . 30201 1 15 . 1 1 3 3 LEU HD21 H 1 0.8778 0.05 . 2 . 33164 . A 717 LEU HD21 . 30201 1 16 . 1 1 3 3 LEU HD22 H 1 0.8778 0.05 . 2 . 33164 . A 717 LEU HD22 . 30201 1 17 . 1 1 3 3 LEU HD23 H 1 0.8778 0.05 . 2 . 33164 . A 717 LEU HD23 . 30201 1 18 . 1 1 3 3 LEU C C 13 177.0432 0.6 . 1 . 15125 . A 717 LEU C . 30201 1 19 . 1 1 3 3 LEU CA C 13 55.4140 0.6 . 1 . 12824 . A 717 LEU CA . 30201 1 20 . 1 1 3 3 LEU CB C 13 42.3929 0.6 . 1 . 12836 . A 717 LEU CB . 30201 1 21 . 1 1 3 3 LEU CG C 13 26.9950 0.6 . 1 . 36515 . A 717 LEU CG . 30201 1 22 . 1 1 3 3 LEU CD1 C 13 24.7940 0.6 . 2 . 37316 . A 717 LEU CD1 . 30201 1 23 . 1 1 3 3 LEU CD2 C 13 23.9020 0.6 . 2 . 36524 . A 717 LEU CD2 . 30201 1 24 . 1 1 3 3 LEU N N 15 123.6128 0.3 . 1 . 14613 . A 717 LEU N . 30201 1 25 . 1 1 4 4 ARG H H 1 8.4192 0.05 . 1 . 17712 . A 718 ARG H . 30201 1 26 . 1 1 4 4 ARG HA H 1 4.3810 0.05 . 1 . 31547 . A 718 ARG HA . 30201 1 27 . 1 1 4 4 ARG HB2 H 1 1.8090 0.05 . 2 . 31553 . A 718 ARG HB2 . 30201 1 28 . 1 1 4 4 ARG HB3 H 1 1.8090 0.05 . 2 . 31553 . A 718 ARG HB3 . 30201 1 29 . 1 1 4 4 ARG HG2 H 1 1.6110 0.05 . 2 . 33158 . A 718 ARG HG2 . 30201 1 30 . 1 1 4 4 ARG HG3 H 1 1.6110 0.05 . 2 . 33158 . A 718 ARG HG3 . 30201 1 31 . 1 1 4 4 ARG HD2 H 1 3.2030 0.05 . 2 . 33128 . A 718 ARG HD2 . 30201 1 32 . 1 1 4 4 ARG HD3 H 1 3.2030 0.05 . 2 . 33128 . A 718 ARG HD3 . 30201 1 33 . 1 1 4 4 ARG C C 13 175.9424 0.6 . 1 . 17752 . A 718 ARG C . 30201 1 34 . 1 1 4 4 ARG CA C 13 55.8536 0.6 . 1 . 17761 . A 718 ARG CA . 30201 1 35 . 1 1 4 4 ARG CB C 13 30.6340 0.6 . 1 . 17840 . A 718 ARG CB . 30201 1 36 . 1 1 4 4 ARG CG C 13 27.0540 0.6 . 1 . 36518 . A 718 ARG CG . 30201 1 37 . 1 1 4 4 ARG CD C 13 43.4230 0.6 . 1 . 36494 . A 718 ARG CD . 30201 1 38 . 1 1 4 4 ARG N N 15 123.1292 0.3 . 1 . 17714 . A 718 ARG N . 30201 1 39 . 1 1 5 5 VAL H H 1 8.2992 0.05 . 1 . 12946 . A 719 VAL H . 30201 1 40 . 1 1 5 5 VAL HA H 1 4.1830 0.05 . 1 . 31118 . A 719 VAL HA . 30201 1 41 . 1 1 5 5 VAL HB H 1 2.0400 0.05 . 1 . 31124 . A 719 VAL HB . 30201 1 42 . 1 1 5 5 VAL HG11 H 1 0.9010 0.05 . 2 . 32759 . A 719 VAL HG11 . 30201 1 43 . 1 1 5 5 VAL HG12 H 1 0.9010 0.05 . 2 . 32759 . A 719 VAL HG12 . 30201 1 44 . 1 1 5 5 VAL HG13 H 1 0.9010 0.05 . 2 . 32759 . A 719 VAL HG13 . 30201 1 45 . 1 1 5 5 VAL HG21 H 1 0.9010 0.05 . 2 . 32759 . A 719 VAL HG21 . 30201 1 46 . 1 1 5 5 VAL HG22 H 1 0.9010 0.05 . 2 . 32759 . A 719 VAL HG22 . 30201 1 47 . 1 1 5 5 VAL HG23 H 1 0.9010 0.05 . 2 . 32759 . A 719 VAL HG23 . 30201 1 48 . 1 1 5 5 VAL C C 13 175.8917 0.6 . 1 . 15221 . A 719 VAL C . 30201 1 49 . 1 1 5 5 VAL CA C 13 61.7164 0.6 . 1 . 12848 . A 719 VAL CA . 30201 1 50 . 1 1 5 5 VAL CB C 13 33.6363 0.6 . 1 . 12920 . A 719 VAL CB . 30201 1 51 . 1 1 5 5 VAL CG1 C 13 20.9430 0.6 . 2 . 36077 . A 719 VAL CG1 . 30201 1 52 . 1 1 5 5 VAL CG2 C 13 20.9430 0.6 . 2 . 36077 . A 719 VAL CG2 . 30201 1 53 . 1 1 5 5 VAL N N 15 123.0984 0.3 . 1 . 12948 . A 719 VAL N . 30201 1 54 . 1 1 6 6 LYS H H 1 8.4921 0.05 . 1 . 12427 . A 720 LYS H . 30201 1 55 . 1 1 6 6 LYS HA H 1 4.5089 0.05 . 1 . . . A 720 LYS HA . 30201 1 56 . 1 1 6 6 LYS HB2 H 1 1.7600 0.05 . 2 . . . A 720 LYS HB2 . 30201 1 57 . 1 1 6 6 LYS HG2 H 1 1.5080 0.05 . 2 . . . A 720 LYS HG2 . 30201 1 58 . 1 1 6 6 LYS HG3 H 1 1.5900 0.05 . 2 . . . A 720 LYS HG3 . 30201 1 59 . 1 1 6 6 LYS HD2 H 1 1.6150 0.05 . 2 . . . A 720 LYS HD2 . 30201 1 60 . 1 1 6 6 LYS HE2 H 1 3.0190 0.05 . 2 . . . A 720 LYS HE2 . 30201 1 61 . 1 1 6 6 LYS C C 13 173.8130 0.6 . 1 . 30248 . A 720 LYS C . 30201 1 62 . 1 1 6 6 LYS CA C 13 54.6779 0.6 . 1 . 14255 . A 720 LYS CA . 30201 1 63 . 1 1 6 6 LYS CB C 13 32.2844 0.6 . 1 . 12461 . A 720 LYS CB . 30201 1 64 . 1 1 6 6 LYS CG C 13 25.2500 0.6 . 1 . . . A 720 LYS CG . 30201 1 65 . 1 1 6 6 LYS CD C 13 29.1290 0.6 . 1 . . . A 720 LYS CD . 30201 1 66 . 1 1 6 6 LYS CE C 13 42.0050 0.6 . 1 . . . A 720 LYS CE . 30201 1 67 . 1 1 6 6 LYS N N 15 127.6905 0.3 . 1 . 12429 . A 720 LYS N . 30201 1 68 . 1 1 7 7 PRO HA H 1 4.9920 0.05 . 1 . 32516 . A 721 PRO HA . 30201 1 69 . 1 1 7 7 PRO HB2 H 1 2.5360 0.05 . 2 . 32528 . A 721 PRO HB2 . 30201 1 70 . 1 1 7 7 PRO HB3 H 1 2.0090 0.05 . 2 . 32531 . A 721 PRO HB3 . 30201 1 71 . 1 1 7 7 PRO HG2 H 1 1.9410 0.05 . 2 . 37319 . A 721 PRO HG2 . 30201 1 72 . 1 1 7 7 PRO HG3 H 1 2.0510 0.05 . 2 . 37319 . A 721 PRO HG3 . 30201 1 73 . 1 1 7 7 PRO HD2 H 1 3.8380 0.05 . 2 . 33776 . A 721 PRO HD2 . 30201 1 74 . 1 1 7 7 PRO HD3 H 1 3.6300 0.05 . 2 . 33779 . A 721 PRO HD3 . 30201 1 75 . 1 1 7 7 PRO C C 13 174.9874 0.6 . 1 . 15335 . A 721 PRO C . 30201 1 76 . 1 1 7 7 PRO CA C 13 62.7486 0.6 . 1 . 13742 . A 721 PRO CA . 30201 1 77 . 1 1 7 7 PRO CB C 13 32.7615 0.6 . 1 . 13766 . A 721 PRO CB . 30201 1 78 . 1 1 7 7 PRO CG C 13 26.9230 0.6 . 1 . 37265 . A 721 PRO CG . 30201 1 79 . 1 1 7 7 PRO CD C 13 49.9990 0.6 . 1 . 37241 . A 721 PRO CD . 30201 1 80 . 1 1 8 8 SER H H 1 8.4627 0.05 . 1 . 13765 . A 722 SER H . 30201 1 81 . 1 1 8 8 SER HA H 1 4.2460 0.05 . 1 . 31820 . A 722 SER HA . 30201 1 82 . 1 1 8 8 SER HB2 H 1 3.7510 0.05 . 2 . 31823 . A 722 SER HB2 . 30201 1 83 . 1 1 8 8 SER HB3 H 1 3.4220 0.05 . 2 . 31829 . A 722 SER HB3 . 30201 1 84 . 1 1 8 8 SER C C 13 171.3075 0.6 . 1 . 15551 . A 722 SER C . 30201 1 85 . 1 1 8 8 SER CA C 13 57.6458 0.6 . 1 . 14099 . A 722 SER CA . 30201 1 86 . 1 1 8 8 SER CB C 13 63.9661 0.6 . 1 . 13739 . A 722 SER CB . 30201 1 87 . 1 1 8 8 SER N N 15 109.2471 0.3 . 1 . 13767 . A 722 SER N . 30201 1 88 . 1 1 9 9 ALA H H 1 7.2180 0.05 . 1 . 14641 . A 723 ALA H . 30201 1 89 . 1 1 9 9 ALA HA H 1 5.3430 0.05 . 1 . 32474 . A 723 ALA HA . 30201 1 90 . 1 1 9 9 ALA HB1 H 1 1.0500 0.05 . 1 . 33746 . A 723 ALA HB1 . 30201 1 91 . 1 1 9 9 ALA HB2 H 1 1.0500 0.05 . 1 . 33746 . A 723 ALA HB2 . 30201 1 92 . 1 1 9 9 ALA HB3 H 1 1.0500 0.05 . 1 . 33746 . A 723 ALA HB3 . 30201 1 93 . 1 1 9 9 ALA C C 13 175.0807 0.6 . 1 . 15320 . A 723 ALA C . 30201 1 94 . 1 1 9 9 ALA CA C 13 51.1724 0.6 . 1 . 13136 . A 723 ALA CA . 30201 1 95 . 1 1 9 9 ALA CB C 13 23.4400 0.6 . 1 . 15071 . A 723 ALA CB . 30201 1 96 . 1 1 9 9 ALA N N 15 121.0992 0.3 . 1 . 14643 . A 723 ALA N . 30201 1 97 . 1 1 10 10 SER H H 1 8.2694 0.05 . 1 . 15070 . A 724 SER H . 30201 1 98 . 1 1 10 10 SER HA H 1 4.5650 0.05 . 1 . 33002 . A 724 SER HA . 30201 1 99 . 1 1 10 10 SER HB2 H 1 3.7960 0.05 . 2 . 33008 . A 724 SER HB2 . 30201 1 100 . 1 1 10 10 SER HB3 H 1 3.6390 0.05 . 2 . 33014 . A 724 SER HB3 . 30201 1 101 . 1 1 10 10 SER C C 13 173.2840 0.6 . 1 . 15497 . A 724 SER C . 30201 1 102 . 1 1 10 10 SER CA C 13 57.5049 0.6 . 1 . 13685 . A 724 SER CA . 30201 1 103 . 1 1 10 10 SER CB C 13 65.8145 0.6 . 1 . 13682 . A 724 SER CB . 30201 1 104 . 1 1 10 10 SER N N 15 110.6619 0.3 . 1 . 15072 . A 724 SER N . 30201 1 105 . 1 1 11 11 LEU H H 1 9.4067 0.05 . 1 . 14221 . A 725 LEU H . 30201 1 106 . 1 1 11 11 LEU HA H 1 4.4930 0.05 . 1 . 31394 . A 725 LEU HA . 30201 1 107 . 1 1 11 11 LEU HB2 H 1 1.8880 0.05 . 2 . 31421 . A 725 LEU HB2 . 30201 1 108 . 1 1 11 11 LEU HB3 H 1 1.2460 0.05 . 2 . 31424 . A 725 LEU HB3 . 30201 1 109 . 1 1 11 11 LEU HG H 1 1.7370 0.05 . 1 . 32984 . A 725 LEU HG . 30201 1 110 . 1 1 11 11 LEU HD11 H 1 0.9256 0.05 . 2 . 37328 . A 725 LEU HD11 . 30201 1 111 . 1 1 11 11 LEU HD12 H 1 0.9256 0.05 . 2 . 37328 . A 725 LEU HD12 . 30201 1 112 . 1 1 11 11 LEU HD13 H 1 0.9256 0.05 . 2 . 37328 . A 725 LEU HD13 . 30201 1 113 . 1 1 11 11 LEU HD21 H 1 0.7030 0.05 . 2 . 37328 . A 725 LEU HD21 . 30201 1 114 . 1 1 11 11 LEU HD22 H 1 0.7030 0.05 . 2 . 37328 . A 725 LEU HD22 . 30201 1 115 . 1 1 11 11 LEU HD23 H 1 0.7030 0.05 . 2 . 37328 . A 725 LEU HD23 . 30201 1 116 . 1 1 11 11 LEU C C 13 177.9707 0.6 . 1 . 15104 . A 725 LEU C . 30201 1 117 . 1 1 11 11 LEU CA C 13 55.3971 0.6 . 1 . 14219 . A 725 LEU CA . 30201 1 118 . 1 1 11 11 LEU CB C 13 41.6726 0.6 . 1 . 12794 . A 725 LEU CB . 30201 1 119 . 1 1 11 11 LEU CG C 13 26.9330 0.6 . 1 . 37322 . A 725 LEU CG . 30201 1 120 . 1 1 11 11 LEU CD1 C 13 26.0900 0.6 . 2 . 36368 . A 725 LEU CD1 . 30201 1 121 . 1 1 11 11 LEU CD2 C 13 24.0720 0.6 . 2 . 36368 . A 725 LEU CD2 . 30201 1 122 . 1 1 11 11 LEU N N 15 123.9591 0.3 . 1 . 14223 . A 725 LEU N . 30201 1 123 . 1 1 12 12 LYS H H 1 8.4748 0.05 . 1 . 17252 . A 726 LYS H . 30201 1 124 . 1 1 12 12 LYS HA H 1 4.3910 0.05 . 1 . 33419 . A 726 LYS HA . 30201 1 125 . 1 1 12 12 LYS HB2 H 1 1.8290 0.05 . 2 . 33443 . A 726 LYS HB2 . 30201 1 126 . 1 1 12 12 LYS HB3 H 1 1.4420 0.05 . 2 . 37337 . A 726 LYS HB3 . 30201 1 127 . 1 1 12 12 LYS HG2 H 1 1.3820 0.05 . 2 . 33452 . A 726 LYS HG2 . 30201 1 128 . 1 1 12 12 LYS HG3 H 1 1.2840 0.05 . 2 . 37331 . A 726 LYS HG3 . 30201 1 129 . 1 1 12 12 LYS HD2 H 1 1.6450 0.05 . 2 . 33446 . A 726 LYS HD2 . 30201 1 130 . 1 1 12 12 LYS HD3 H 1 1.6450 0.05 . 2 . 33446 . A 726 LYS HD3 . 30201 1 131 . 1 1 12 12 LYS HE2 H 1 2.9160 0.05 . 2 . 33428 . A 726 LYS HE2 . 30201 1 132 . 1 1 12 12 LYS HE3 H 1 2.9160 0.05 . 2 . 33428 . A 726 LYS HE3 . 30201 1 133 . 1 1 12 12 LYS C C 13 174.7207 0.6 . 1 . 17271 . A 726 LYS C . 30201 1 134 . 1 1 12 12 LYS CA C 13 54.9947 0.6 . 1 . 17274 . A 726 LYS CA . 30201 1 135 . 1 1 12 12 LYS CB C 13 31.1165 0.6 . 1 . 17331 . A 726 LYS CB . 30201 1 136 . 1 1 12 12 LYS CG C 13 24.6470 0.6 . 1 . 36836 . A 726 LYS CG . 30201 1 137 . 1 1 12 12 LYS CD C 13 29.0580 0.6 . 1 . 36824 . A 726 LYS CD . 30201 1 138 . 1 1 12 12 LYS CE C 13 41.6810 0.6 . 1 . 36803 . A 726 LYS CE . 30201 1 139 . 1 1 12 12 LYS N N 15 124.2661 0.3 . 1 . 17254 . A 726 LYS N . 30201 1 140 . 1 1 13 13 LEU H H 1 7.2928 0.05 . 1 . 22871 . A 727 LEU H . 30201 1 141 . 1 1 13 13 LEU HA H 1 4.4220 0.05 . 1 . . . A 727 LEU HA . 30201 1 142 . 1 1 13 13 LEU HB2 H 1 1.5000 0.05 . 2 . . . A 727 LEU HB2 . 30201 1 143 . 1 1 13 13 LEU HB3 H 1 1.5000 0.05 . 2 . . . A 727 LEU HB3 . 30201 1 144 . 1 1 13 13 LEU HD11 H 1 0.8820 0.05 . 2 . . . A 727 LEU HD11 . 30201 1 145 . 1 1 13 13 LEU HD12 H 1 0.8820 0.05 . 2 . . . A 727 LEU HD12 . 30201 1 146 . 1 1 13 13 LEU HD13 H 1 0.8820 0.05 . 2 . . . A 727 LEU HD13 . 30201 1 147 . 1 1 13 13 LEU HD21 H 1 0.8820 0.05 . 2 . . . A 727 LEU HD21 . 30201 1 148 . 1 1 13 13 LEU HD22 H 1 0.8820 0.05 . 2 . . . A 727 LEU HD22 . 30201 1 149 . 1 1 13 13 LEU HD23 H 1 0.8820 0.05 . 2 . . . A 727 LEU HD23 . 30201 1 150 . 1 1 13 13 LEU C C 13 176.1403 0.6 . 1 . 22896 . A 727 LEU C . 30201 1 151 . 1 1 13 13 LEU CA C 13 54.3214 0.6 . 1 . 22884 . A 727 LEU CA . 30201 1 152 . 1 1 13 13 LEU CB C 13 44.1647 0.6 . 1 . 22887 . A 727 LEU CB . 30201 1 153 . 1 1 13 13 LEU CG C 13 27.0200 0.6 . 1 . . . A 727 LEU CG . 30201 1 154 . 1 1 13 13 LEU CD1 C 13 24.4200 0.6 . 2 . . . A 727 LEU CD1 . 30201 1 155 . 1 1 13 13 LEU CD2 C 13 24.4200 0.6 . 2 . . . A 727 LEU CD2 . 30201 1 156 . 1 1 13 13 LEU N N 15 120.0293 0.3 . 1 . 22873 . A 727 LEU N . 30201 1 157 . 1 1 14 14 HIS HA H 1 4.7830 0.05 . 1 . 33623 . A 728 HIS HA . 30201 1 158 . 1 1 14 14 HIS HB2 H 1 3.1990 0.05 . 2 . 33605 . A 728 HIS HB2 . 30201 1 159 . 1 1 14 14 HIS HB3 H 1 2.9800 0.05 . 2 . 33611 . A 728 HIS HB3 . 30201 1 160 . 1 1 14 14 HIS HD2 H 1 6.9790 0.05 . 1 . . . A 728 HIS HD2 . 30201 1 161 . 1 1 14 14 HIS C C 13 174.0601 0.6 . 1 . 16667 . A 728 HIS C . 30201 1 162 . 1 1 14 14 HIS CA C 13 55.8806 0.6 . 1 . 14708 . A 728 HIS CA . 30201 1 163 . 1 1 14 14 HIS CB C 13 30.4195 0.6 . 1 . 15041 . A 728 HIS CB . 30201 1 164 . 1 1 15 15 HIS H H 1 7.3964 0.05 . 1 . 15040 . A 729 HIS H . 30201 1 165 . 1 1 15 15 HIS HA H 1 4.8480 0.05 . 1 . 33389 . A 729 HIS HA . 30201 1 166 . 1 1 15 15 HIS HB2 H 1 3.3110 0.05 . 2 . 37340 . A 729 HIS HB2 . 30201 1 167 . 1 1 15 15 HIS HB3 H 1 3.1620 0.05 . 2 . 33395 . A 729 HIS HB3 . 30201 1 168 . 1 1 15 15 HIS HD2 H 1 7.0510 0.05 . 1 . . . A 729 HIS HD2 . 30201 1 169 . 1 1 15 15 HIS C C 13 173.8650 0.6 . 1 . 15455 . A 729 HIS C . 30201 1 170 . 1 1 15 15 HIS CA C 13 54.6077 0.6 . 1 . 13463 . A 729 HIS CA . 30201 1 171 . 1 1 15 15 HIS CB C 13 31.3261 0.6 . 1 . 13472 . A 729 HIS CB . 30201 1 172 . 1 1 15 15 HIS N N 15 116.4888 0.3 . 1 . 15042 . A 729 HIS N . 30201 1 173 . 1 1 16 16 ASP H H 1 8.5344 0.05 . 1 . 26956 . A 730 ASP H . 30201 1 174 . 1 1 16 16 ASP HA H 1 4.7690 0.05 . 1 . 33053 . A 730 ASP HA . 30201 1 175 . 1 1 16 16 ASP HB2 H 1 2.7050 0.05 . 2 . 33071 . A 730 ASP HB2 . 30201 1 176 . 1 1 16 16 ASP HB3 H 1 2.5190 0.05 . 2 . 33077 . A 730 ASP HB3 . 30201 1 177 . 1 1 16 16 ASP C C 13 176.3899 0.6 . 1 . 26975 . A 730 ASP C . 30201 1 178 . 1 1 16 16 ASP CA C 13 54.6231 0.6 . 1 . 26963 . A 730 ASP CA . 30201 1 179 . 1 1 16 16 ASP CB C 13 40.9268 0.6 . 1 . 26969 . A 730 ASP CB . 30201 1 180 . 1 1 16 16 ASP N N 15 120.5033 0.3 . 1 . 26958 . A 730 ASP N . 30201 1 181 . 1 1 17 17 LEU H H 1 8.7531 0.05 . 1 . 14263 . A 731 LEU H . 30201 1 182 . 1 1 17 17 LEU HA H 1 4.6270 0.05 . 1 . 32999 . A 731 LEU HA . 30201 1 183 . 1 1 17 17 LEU HB2 H 1 1.8860 0.05 . 2 . 37472 . A 731 LEU HB2 . 30201 1 184 . 1 1 17 17 LEU HB3 H 1 1.3260 0.05 . 2 . 37475 . A 731 LEU HB3 . 30201 1 185 . 1 1 17 17 LEU HG H 1 1.7220 0.05 . 1 . 33029 . A 731 LEU HG . 30201 1 186 . 1 1 17 17 LEU HD11 H 1 0.8450 0.05 . 2 . 37343 . A 731 LEU HD11 . 30201 1 187 . 1 1 17 17 LEU HD12 H 1 0.8450 0.05 . 2 . 37343 . A 731 LEU HD12 . 30201 1 188 . 1 1 17 17 LEU HD13 H 1 0.8450 0.05 . 2 . 37343 . A 731 LEU HD13 . 30201 1 189 . 1 1 17 17 LEU HD21 H 1 0.8660 0.05 . 2 . 37343 . A 731 LEU HD21 . 30201 1 190 . 1 1 17 17 LEU HD22 H 1 0.8660 0.05 . 2 . 37343 . A 731 LEU HD22 . 30201 1 191 . 1 1 17 17 LEU HD23 H 1 0.8660 0.05 . 2 . 37343 . A 731 LEU HD23 . 30201 1 192 . 1 1 17 17 LEU C C 13 175.7249 0.6 . 1 . 15254 . A 731 LEU C . 30201 1 193 . 1 1 17 17 LEU CA C 13 54.8369 0.6 . 1 . 12827 . A 731 LEU CA . 30201 1 194 . 1 1 17 17 LEU CB C 13 43.5127 0.6 . 1 . 12833 . A 731 LEU CB . 30201 1 195 . 1 1 17 17 LEU CG C 13 26.9090 0.6 . 1 . . . A 731 LEU CG . 30201 1 196 . 1 1 17 17 LEU CD1 C 13 24.6200 0.6 . 2 . 37349 . A 731 LEU CD1 . 30201 1 197 . 1 1 17 17 LEU CD2 C 13 23.7000 0.6 . 2 . 37346 . A 731 LEU CD2 . 30201 1 198 . 1 1 17 17 LEU N N 15 123.6793 0.3 . 1 . 14265 . A 731 LEU N . 30201 1 199 . 1 1 18 18 LYS H H 1 8.4090 0.05 . 1 . 16534 . A 732 LYS H . 30201 1 200 . 1 1 18 18 LYS HA H 1 5.0560 0.05 . 1 . 32933 . A 732 LYS HA . 30201 1 201 . 1 1 18 18 LYS HB2 H 1 1.7640 0.05 . 2 . 31337 . A 732 LYS HB2 . 30201 1 202 . 1 1 18 18 LYS HB3 H 1 1.7640 0.05 . 2 . 31337 . A 732 LYS HB3 . 30201 1 203 . 1 1 18 18 LYS HG2 H 1 1.3430 0.05 . 2 . 32954 . A 732 LYS HG2 . 30201 1 204 . 1 1 18 18 LYS HG3 H 1 1.3430 0.05 . 2 . 32954 . A 732 LYS HG3 . 30201 1 205 . 1 1 18 18 LYS HD2 H 1 1.7050 0.05 . 2 . 32948 . A 732 LYS HD2 . 30201 1 206 . 1 1 18 18 LYS HD3 H 1 1.7050 0.05 . 2 . 32948 . A 732 LYS HD3 . 30201 1 207 . 1 1 18 18 LYS HE2 H 1 2.9370 0.05 . 2 . 32942 . A 732 LYS HE2 . 30201 1 208 . 1 1 18 18 LYS HE3 H 1 2.9370 0.05 . 2 . 32942 . A 732 LYS HE3 . 30201 1 209 . 1 1 18 18 LYS C C 13 174.9467 0.6 . 1 . 15317 . A 732 LYS C . 30201 1 210 . 1 1 18 18 LYS CA C 13 55.6845 0.6 . 1 . 20541 . A 732 LYS CA . 30201 1 211 . 1 1 18 18 LYS CB C 13 33.5805 0.6 . 1 . 12803 . A 732 LYS CB . 30201 1 212 . 1 1 18 18 LYS CG C 13 24.9620 0.6 . 1 . 36311 . A 732 LYS CG . 30201 1 213 . 1 1 18 18 LYS CD C 13 29.2580 0.6 . 1 . 36305 . A 732 LYS CD . 30201 1 214 . 1 1 18 18 LYS CE C 13 42.2580 0.6 . 1 . 36284 . A 732 LYS CE . 30201 1 215 . 1 1 18 18 LYS N N 15 124.0276 0.3 . 1 . 16536 . A 732 LYS N . 30201 1 216 . 1 1 19 19 LEU H H 1 8.9476 0.05 . 1 . 14956 . A 733 LEU H . 30201 1 217 . 1 1 19 19 LEU HA H 1 4.8210 0.05 . 1 . 31946 . A 733 LEU HA . 30201 1 218 . 1 1 19 19 LEU HB2 H 1 1.8360 0.05 . 2 . 31979 . A 733 LEU HB2 . 30201 1 219 . 1 1 19 19 LEU HB3 H 1 1.4530 0.05 . 2 . 31982 . A 733 LEU HB3 . 30201 1 220 . 1 1 19 19 LEU HG H 1 1.4510 0.05 . 1 . 33449 . A 733 LEU HG . 30201 1 221 . 1 1 19 19 LEU HD11 H 1 0.7910 0.05 . 2 . 37358 . A 733 LEU HD11 . 30201 1 222 . 1 1 19 19 LEU HD12 H 1 0.7910 0.05 . 2 . 37358 . A 733 LEU HD12 . 30201 1 223 . 1 1 19 19 LEU HD13 H 1 0.7910 0.05 . 2 . 37358 . A 733 LEU HD13 . 30201 1 224 . 1 1 19 19 LEU HD21 H 1 0.6860 0.05 . 2 . 33455 . A 733 LEU HD21 . 30201 1 225 . 1 1 19 19 LEU HD22 H 1 0.6860 0.05 . 2 . 33455 . A 733 LEU HD22 . 30201 1 226 . 1 1 19 19 LEU HD23 H 1 0.6860 0.05 . 2 . 33455 . A 733 LEU HD23 . 30201 1 227 . 1 1 19 19 LEU C C 13 176.4021 0.6 . 1 . 15170 . A 733 LEU C . 30201 1 228 . 1 1 19 19 LEU CA C 13 53.4013 0.6 . 1 . 14327 . A 733 LEU CA . 30201 1 229 . 1 1 19 19 LEU CB C 13 46.5013 0.6 . 1 . 12677 . A 733 LEU CB . 30201 1 230 . 1 1 19 19 LEU CG C 13 27.5350 0.6 . 1 . . . A 733 LEU CG . 30201 1 231 . 1 1 19 19 LEU CD1 C 13 24.2790 0.6 . 2 . 36833 . A 733 LEU CD1 . 30201 1 232 . 1 1 19 19 LEU CD2 C 13 25.8810 0.6 . 2 . 36839 . A 733 LEU CD2 . 30201 1 233 . 1 1 19 19 LEU N N 15 124.8793 0.3 . 1 . 14958 . A 733 LEU N . 30201 1 234 . 1 1 20 20 CYS H H 1 9.0015 0.05 . 1 . 15949 . A 734 CYS H . 30201 1 235 . 1 1 20 20 CYS HA H 1 5.1590 0.05 . 1 . 33242 . A 734 CYS HA . 30201 1 236 . 1 1 20 20 CYS HB2 H 1 2.9430 0.05 . 2 . 33263 . A 734 CYS HB2 . 30201 1 237 . 1 1 20 20 CYS HB3 H 1 2.7840 0.05 . 2 . 33266 . A 734 CYS HB3 . 30201 1 238 . 1 1 20 20 CYS C C 13 174.3230 0.6 . 1 . 15401 . A 734 CYS C . 30201 1 239 . 1 1 20 20 CYS CA C 13 56.8592 0.6 . 1 . 14072 . A 734 CYS CA . 30201 1 240 . 1 1 20 20 CYS CB C 13 28.7538 0.6 . 1 . 13274 . A 734 CYS CB . 30201 1 241 . 1 1 20 20 CYS N N 15 120.1333 0.3 . 1 . 15951 . A 734 CYS N . 30201 1 242 . 1 1 21 21 LEU H H 1 7.5603 0.05 . 1 . 15766 . A 735 LEU H . 30201 1 243 . 1 1 21 21 LEU HA H 1 3.7640 0.05 . 1 . 32408 . A 735 LEU HA . 30201 1 244 . 1 1 21 21 LEU HB2 H 1 1.5680 0.05 . 2 . 32411 . A 735 LEU HB2 . 30201 1 245 . 1 1 21 21 LEU HB3 H 1 1.4410 0.05 . 2 . 32414 . A 735 LEU HB3 . 30201 1 246 . 1 1 21 21 LEU HG H 1 1.4560 0.05 . 1 . 33710 . A 735 LEU HG . 30201 1 247 . 1 1 21 21 LEU HD11 H 1 0.7760 0.05 . 2 . 33713 . A 735 LEU HD11 . 30201 1 248 . 1 1 21 21 LEU HD12 H 1 0.7760 0.05 . 2 . 33713 . A 735 LEU HD12 . 30201 1 249 . 1 1 21 21 LEU HD13 H 1 0.7760 0.05 . 2 . 33713 . A 735 LEU HD13 . 30201 1 250 . 1 1 21 21 LEU HD21 H 1 0.6810 0.05 . 2 . 37361 . A 735 LEU HD21 . 30201 1 251 . 1 1 21 21 LEU HD22 H 1 0.6810 0.05 . 2 . 37361 . A 735 LEU HD22 . 30201 1 252 . 1 1 21 21 LEU HD23 H 1 0.6810 0.05 . 2 . 37361 . A 735 LEU HD23 . 30201 1 253 . 1 1 21 21 LEU C C 13 177.8351 0.6 . 1 . 30251 . A 735 LEU C . 30201 1 254 . 1 1 21 21 LEU CA C 13 56.8668 0.6 . 1 . 14066 . A 735 LEU CA . 30201 1 255 . 1 1 21 21 LEU CB C 13 41.6323 0.6 . 1 . 13079 . A 735 LEU CB . 30201 1 256 . 1 1 21 21 LEU CG C 13 27.5040 0.6 . 1 . 37133 . A 735 LEU CG . 30201 1 257 . 1 1 21 21 LEU CD1 C 13 24.7760 0.6 . 2 . 37148 . A 735 LEU CD1 . 30201 1 258 . 1 1 21 21 LEU CD2 C 13 23.8000 0.6 . 2 . 37148 . A 735 LEU CD2 . 30201 1 259 . 1 1 21 21 LEU N N 15 121.8304 0.3 . 1 . 15768 . A 735 LEU N . 30201 1 260 . 1 1 22 22 GLY H H 1 8.9603 0.05 . 1 . 16423 . A 736 GLY H . 30201 1 261 . 1 1 22 22 GLY HA2 H 1 4.3650 0.05 . 2 . 31853 . A 736 GLY HA2 . 30201 1 262 . 1 1 22 22 GLY HA3 H 1 3.3610 0.05 . 2 . 31865 . A 736 GLY HA3 . 30201 1 263 . 1 1 22 22 GLY C C 13 173.8027 0.6 . 1 . 30254 . A 736 GLY C . 30201 1 264 . 1 1 22 22 GLY CA C 13 45.3379 0.6 . 1 . 14420 . A 736 GLY CA . 30201 1 265 . 1 1 22 22 GLY N N 15 112.8338 0.3 . 1 . 16425 . A 736 GLY N . 30201 1 266 . 1 1 23 23 ASP H H 1 8.0678 0.05 . 1 . 30388 . A 737 ASP H . 30201 1 267 . 1 1 23 23 ASP HA H 1 5.0080 0.05 . 1 . 33653 . A 737 ASP HA . 30201 1 268 . 1 1 23 23 ASP HB2 H 1 3.0220 0.05 . 2 . 33659 . A 737 ASP HB2 . 30201 1 269 . 1 1 23 23 ASP HB3 H 1 2.8210 0.05 . 2 . 33665 . A 737 ASP HB3 . 30201 1 270 . 1 1 23 23 ASP C C 13 175.3233 0.6 . 1 . 30401 . A 737 ASP C . 30201 1 271 . 1 1 23 23 ASP CA C 13 53.4366 0.6 . 1 . 30413 . A 737 ASP CA . 30201 1 272 . 1 1 23 23 ASP CB C 13 42.9234 0.6 . 1 . 30395 . A 737 ASP CB . 30201 1 273 . 1 1 23 23 ASP N N 15 121.1230 0.3 . 1 . 30390 . A 737 ASP N . 30201 1 274 . 1 1 24 24 HIS H H 1 8.0824 0.05 . 1 . 30835 . A 738 HIS H . 30201 1 275 . 1 1 24 24 HIS HA H 1 4.7880 0.05 . 1 . 32366 . A 738 HIS HA . 30201 1 276 . 1 1 24 24 HIS HB2 H 1 3.1530 0.05 . 2 . 33695 . A 738 HIS HB2 . 30201 1 277 . 1 1 24 24 HIS HB3 H 1 2.5380 0.05 . 2 . 33698 . A 738 HIS HB3 . 30201 1 278 . 1 1 24 24 HIS HD2 H 1 6.7200 0.05 . 1 . . . A 738 HIS HD2 . 30201 1 279 . 1 1 24 24 HIS C C 13 173.2969 0.6 . 1 . 16703 . A 738 HIS C . 30201 1 280 . 1 1 24 24 HIS CA C 13 54.3909 0.6 . 1 . 14747 . A 738 HIS CA . 30201 1 281 . 1 1 24 24 HIS CB C 13 32.3921 0.6 . 1 . 15002 . A 738 HIS CB . 30201 1 282 . 1 1 24 24 HIS N N 15 115.0707 0.3 . 1 . 30837 . A 738 HIS N . 30201 1 283 . 1 1 25 25 SER H H 1 8.3091 0.05 . 1 . 15001 . A 739 SER H . 30201 1 284 . 1 1 25 25 SER HA H 1 4.7330 0.05 . 1 . 31985 . A 739 SER HA . 30201 1 285 . 1 1 25 25 SER HB2 H 1 3.6840 0.05 . 2 . 31997 . A 739 SER HB2 . 30201 1 286 . 1 1 25 25 SER HB3 H 1 3.5240 0.05 . 2 . 32003 . A 739 SER HB3 . 30201 1 287 . 1 1 25 25 SER C C 13 173.5820 0.6 . 1 . 15485 . A 739 SER C . 30201 1 288 . 1 1 25 25 SER CA C 13 57.6280 0.6 . 1 . 14081 . A 739 SER CA . 30201 1 289 . 1 1 25 25 SER CB C 13 65.6000 0.6 . 1 . 13565 . A 739 SER CB . 30201 1 290 . 1 1 25 25 SER N N 15 113.3070 0.3 . 1 . 15003 . A 739 SER N . 30201 1 291 . 1 1 26 26 SER H H 1 8.2371 0.05 . 1 . 14494 . A 740 SER H . 30201 1 292 . 1 1 26 26 SER HA H 1 5.5410 0.05 . 1 . 32894 . A 740 SER HA . 30201 1 293 . 1 1 26 26 SER HB2 H 1 3.5900 0.05 . 2 . 31361 . A 740 SER HB2 . 30201 1 294 . 1 1 26 26 SER HB3 H 1 3.5320 0.05 . 2 . 31361 . A 740 SER HB3 . 30201 1 295 . 1 1 26 26 SER C C 13 173.6180 0.6 . 1 . 15476 . A 740 SER C . 30201 1 296 . 1 1 26 26 SER CA C 13 57.0471 0.6 . 1 . 13238 . A 740 SER CA . 30201 1 297 . 1 1 26 26 SER CB C 13 64.3616 0.6 . 1 . 13232 . A 740 SER CB . 30201 1 298 . 1 1 26 26 SER N N 15 119.8034 0.3 . 1 . 14496 . A 740 SER N . 30201 1 299 . 1 1 27 27 VAL H H 1 9.2989 0.05 . 1 . 27244 . A 741 VAL H . 30201 1 300 . 1 1 27 27 VAL HA H 1 4.5308 0.05 . 1 . . . A 741 VAL HA . 30201 1 301 . 1 1 27 27 VAL HB H 1 1.7900 0.05 . 1 . . . A 741 VAL HB . 30201 1 302 . 1 1 27 27 VAL HG11 H 1 0.7688 0.05 . 2 . . . A 741 VAL HG11 . 30201 1 303 . 1 1 27 27 VAL HG12 H 1 0.7688 0.05 . 2 . . . A 741 VAL HG12 . 30201 1 304 . 1 1 27 27 VAL HG13 H 1 0.7688 0.05 . 2 . . . A 741 VAL HG13 . 30201 1 305 . 1 1 27 27 VAL HG21 H 1 0.6400 0.05 . 2 . . . A 741 VAL HG21 . 30201 1 306 . 1 1 27 27 VAL HG22 H 1 0.6400 0.05 . 2 . . . A 741 VAL HG22 . 30201 1 307 . 1 1 27 27 VAL HG23 H 1 0.6400 0.05 . 2 . . . A 741 VAL HG23 . 30201 1 308 . 1 1 27 27 VAL C C 13 172.7623 0.6 . 1 . 27263 . A 741 VAL C . 30201 1 309 . 1 1 27 27 VAL CA C 13 59.1760 0.6 . 1 . 27257 . A 741 VAL CA . 30201 1 310 . 1 1 27 27 VAL CB C 13 34.7394 0.6 . 1 . 27260 . A 741 VAL CB . 30201 1 311 . 1 1 27 27 VAL CG1 C 13 21.5900 0.6 . 2 . . . A 741 VAL CG1 . 30201 1 312 . 1 1 27 27 VAL CG2 C 13 19.8760 0.6 . 2 . . . A 741 VAL CG2 . 30201 1 313 . 1 1 27 27 VAL N N 15 125.1035 0.3 . 1 . 27246 . A 741 VAL N . 30201 1 314 . 1 1 28 28 PRO HA H 1 4.7990 0.05 . 1 . 31742 . A 742 PRO HA . 30201 1 315 . 1 1 28 28 PRO HB2 H 1 2.2970 0.05 . 2 . 31760 . A 742 PRO HB2 . 30201 1 316 . 1 1 28 28 PRO HB3 H 1 1.8530 0.05 . 2 . 31766 . A 742 PRO HB3 . 30201 1 317 . 1 1 28 28 PRO HG2 H 1 1.8770 0.05 . 2 . 33329 . A 742 PRO HG2 . 30201 1 318 . 1 1 28 28 PRO HG3 H 1 2.1200 0.05 . 2 . 33329 . A 742 PRO HG3 . 30201 1 319 . 1 1 28 28 PRO HD2 H 1 3.8470 0.05 . 2 . 33311 . A 742 PRO HD2 . 30201 1 320 . 1 1 28 28 PRO HD3 H 1 3.6600 0.05 . 2 . 37364 . A 742 PRO HD3 . 30201 1 321 . 1 1 28 28 PRO C C 13 175.4657 0.6 . 1 . 21789 . A 742 PRO C . 30201 1 322 . 1 1 28 28 PRO CA C 13 62.9185 0.6 . 1 . 21768 . A 742 PRO CA . 30201 1 323 . 1 1 28 28 PRO CB C 13 32.3666 0.6 . 1 . 21771 . A 742 PRO CB . 30201 1 324 . 1 1 28 28 PRO CG C 13 27.6860 0.6 . 1 . 36671 . A 742 PRO CG . 30201 1 325 . 1 1 28 28 PRO CD C 13 51.5610 0.6 . 1 . 36650 . A 742 PRO CD . 30201 1 326 . 1 1 29 29 VAL H H 1 9.1600 0.05 . 1 . 21767 . A 743 VAL H . 30201 1 327 . 1 1 29 29 VAL HA H 1 4.6310 0.05 . 1 . 32708 . A 743 VAL HA . 30201 1 328 . 1 1 29 29 VAL HB H 1 1.9890 0.05 . 1 . 32711 . A 743 VAL HB . 30201 1 329 . 1 1 29 29 VAL HG11 H 1 0.8557 0.05 . 2 . 32714 . A 743 VAL HG11 . 30201 1 330 . 1 1 29 29 VAL HG12 H 1 0.8557 0.05 . 2 . 32714 . A 743 VAL HG12 . 30201 1 331 . 1 1 29 29 VAL HG13 H 1 0.8557 0.05 . 2 . 32714 . A 743 VAL HG13 . 30201 1 332 . 1 1 29 29 VAL HG21 H 1 0.8310 0.05 . 2 . 32714 . A 743 VAL HG21 . 30201 1 333 . 1 1 29 29 VAL HG22 H 1 0.8310 0.05 . 2 . 32714 . A 743 VAL HG22 . 30201 1 334 . 1 1 29 29 VAL HG23 H 1 0.8310 0.05 . 2 . 32714 . A 743 VAL HG23 . 30201 1 335 . 1 1 29 29 VAL C C 13 174.0438 0.6 . 1 . 21792 . A 743 VAL C . 30201 1 336 . 1 1 29 29 VAL CA C 13 60.5224 0.6 . 1 . 21780 . A 743 VAL CA . 30201 1 337 . 1 1 29 29 VAL CB C 13 35.3833 0.6 . 1 . 21783 . A 743 VAL CB . 30201 1 338 . 1 1 29 29 VAL CG1 C 13 21.7130 0.6 . 2 . 36014 . A 743 VAL CG1 . 30201 1 339 . 1 1 29 29 VAL CG2 C 13 22.4920 0.6 . 2 . 36014 . A 743 VAL CG2 . 30201 1 340 . 1 1 29 29 VAL N N 15 121.3463 0.3 . 1 . 21769 . A 743 VAL N . 30201 1 341 . 1 1 30 30 ALA H H 1 8.8903 0.05 . 1 . 14584 . A 744 ALA H . 30201 1 342 . 1 1 30 30 ALA HA H 1 4.9040 0.05 . 1 . 31433 . A 744 ALA HA . 30201 1 343 . 1 1 30 30 ALA HB1 H 1 1.3290 0.05 . 1 . 33026 . A 744 ALA HB1 . 30201 1 344 . 1 1 30 30 ALA HB2 H 1 1.3290 0.05 . 1 . 33026 . A 744 ALA HB2 . 30201 1 345 . 1 1 30 30 ALA HB3 H 1 1.3290 0.05 . 1 . 33026 . A 744 ALA HB3 . 30201 1 346 . 1 1 30 30 ALA C C 13 176.6971 0.6 . 1 . 15155 . A 744 ALA C . 30201 1 347 . 1 1 30 30 ALA CA C 13 51.1688 0.6 . 1 . 14375 . A 744 ALA CA . 30201 1 348 . 1 1 30 30 ALA CB C 13 20.5414 0.6 . 1 . 12401 . A 744 ALA CB . 30201 1 349 . 1 1 30 30 ALA N N 15 128.7664 0.3 . 1 . 14586 . A 744 ALA N . 30201 1 350 . 1 1 31 31 LEU H H 1 8.6423 0.05 . 1 . 14782 . A 745 LEU H . 30201 1 351 . 1 1 31 31 LEU HA H 1 4.7510 0.05 . 1 . 31652 . A 745 LEU HA . 30201 1 352 . 1 1 31 31 LEU HB2 H 1 1.1590 0.05 . 2 . 31664 . A 745 LEU HB2 . 30201 1 353 . 1 1 31 31 LEU HB3 H 1 0.1270 0.05 . 2 . 31667 . A 745 LEU HB3 . 30201 1 354 . 1 1 31 31 LEU HG H 1 1.2840 0.05 . 1 . 37370 . A 745 LEU HG . 30201 1 355 . 1 1 31 31 LEU HD11 H 1 0.6140 0.05 . 2 . 33236 . A 745 LEU HD11 . 30201 1 356 . 1 1 31 31 LEU HD12 H 1 0.6140 0.05 . 2 . 33236 . A 745 LEU HD12 . 30201 1 357 . 1 1 31 31 LEU HD13 H 1 0.6140 0.05 . 2 . 33236 . A 745 LEU HD13 . 30201 1 358 . 1 1 31 31 LEU HD21 H 1 0.4830 0.05 . 2 . 33188 . A 745 LEU HD21 . 30201 1 359 . 1 1 31 31 LEU HD22 H 1 0.4830 0.05 . 2 . 33188 . A 745 LEU HD22 . 30201 1 360 . 1 1 31 31 LEU HD23 H 1 0.4830 0.05 . 2 . 33188 . A 745 LEU HD23 . 30201 1 361 . 1 1 31 31 LEU C C 13 175.5291 0.6 . 1 . 15281 . A 745 LEU C . 30201 1 362 . 1 1 31 31 LEU CA C 13 54.2558 0.6 . 1 . 18339 . A 745 LEU CA . 30201 1 363 . 1 1 31 31 LEU CB C 13 42.4269 0.6 . 1 . 12788 . A 745 LEU CB . 30201 1 364 . 1 1 31 31 LEU CG C 13 26.9830 0.6 . 1 . 37373 . A 745 LEU CG . 30201 1 365 . 1 1 31 31 LEU CD1 C 13 26.9830 0.6 . 2 . 37373 . A 745 LEU CD1 . 30201 1 366 . 1 1 31 31 LEU CD2 C 13 25.6000 0.6 . 2 . 37376 . A 745 LEU CD2 . 30201 1 367 . 1 1 31 31 LEU N N 15 124.0202 0.3 . 1 . 14784 . A 745 LEU N . 30201 1 368 . 1 1 32 32 LYS H H 1 8.4065 0.05 . 1 . 13006 . A 746 LYS H . 30201 1 369 . 1 1 32 32 LYS HA H 1 4.6390 0.05 . 1 . 32576 . A 746 LYS HA . 30201 1 370 . 1 1 32 32 LYS HB2 H 1 1.7010 0.05 . 2 . 32582 . A 746 LYS HB2 . 30201 1 371 . 1 1 32 32 LYS HB3 H 1 1.5990 0.05 . 2 . 32585 . A 746 LYS HB3 . 30201 1 372 . 1 1 32 32 LYS HG2 H 1 1.2880 0.05 . 2 . 33818 . A 746 LYS HG2 . 30201 1 373 . 1 1 32 32 LYS HG3 H 1 1.2880 0.05 . 2 . 33818 . A 746 LYS HG3 . 30201 1 374 . 1 1 32 32 LYS HD2 H 1 1.5900 0.05 . 2 . 33815 . A 746 LYS HD2 . 30201 1 375 . 1 1 32 32 LYS HD3 H 1 1.5900 0.05 . 2 . 33815 . A 746 LYS HD3 . 30201 1 376 . 1 1 32 32 LYS HE2 H 1 2.9160 0.05 . 2 . 33812 . A 746 LYS HE2 . 30201 1 377 . 1 1 32 32 LYS HE3 H 1 2.9160 0.05 . 2 . 33812 . A 746 LYS HE3 . 30201 1 378 . 1 1 32 32 LYS C C 13 173.9268 0.6 . 1 . 15449 . A 746 LYS C . 30201 1 379 . 1 1 32 32 LYS CA C 13 55.1115 0.6 . 1 . 21724 . A 746 LYS CA . 30201 1 380 . 1 1 32 32 LYS CB C 13 35.7603 0.6 . 1 . 12986 . A 746 LYS CB . 30201 1 381 . 1 1 32 32 LYS CG C 13 24.7120 0.6 . 1 . 37301 . A 746 LYS CG . 30201 1 382 . 1 1 32 32 LYS CD C 13 29.1530 0.6 . 1 . 37298 . A 746 LYS CD . 30201 1 383 . 1 1 32 32 LYS CE C 13 42.2450 0.6 . 1 . 37292 . A 746 LYS CE . 30201 1 384 . 1 1 32 32 LYS N N 15 122.4399 0.3 . 1 . 13008 . A 746 LYS N . 30201 1 385 . 1 1 33 33 GLY H H 1 8.3484 0.05 . 1 . 13786 . A 747 GLY H . 30201 1 386 . 1 1 33 33 GLY HA2 H 1 4.8030 0.05 . 2 . 33170 . A 747 GLY HA2 . 30201 1 387 . 1 1 33 33 GLY HA3 H 1 3.6390 0.05 . 2 . 33173 . A 747 GLY HA3 . 30201 1 388 . 1 1 33 33 GLY C C 13 172.6211 0.6 . 1 . 15515 . A 747 GLY C . 30201 1 389 . 1 1 33 33 GLY CA C 13 43.5610 0.6 . 1 . 13793 . A 747 GLY CA . 30201 1 390 . 1 1 33 33 GLY N N 15 107.6953 0.3 . 1 . 13788 . A 747 GLY N . 30201 1 391 . 1 1 34 34 GLN H H 1 9.5574 0.05 . 1 . 14839 . A 748 GLN H . 30201 1 392 . 1 1 34 34 GLN HA H 1 4.5530 0.05 . 1 . 33569 . A 748 GLN HA . 30201 1 393 . 1 1 34 34 GLN HB2 H 1 1.9480 0.05 . 2 . 32189 . A 748 GLN HB2 . 30201 1 394 . 1 1 34 34 GLN HB3 H 1 1.9100 0.05 . 2 . 37379 . A 748 GLN HB3 . 30201 1 395 . 1 1 34 34 GLN HG2 H 1 2.2660 0.05 . 2 . 33584 . A 748 GLN HG2 . 30201 1 396 . 1 1 34 34 GLN HG3 H 1 2.2660 0.05 . 2 . 33584 . A 748 GLN HG3 . 30201 1 397 . 1 1 34 34 GLN HE21 H 1 7.5686 0.05 . 2 . . . A 748 GLN HE21 . 30201 1 398 . 1 1 34 34 GLN HE22 H 1 6.8601 0.05 . 2 . . . A 748 GLN HE22 . 30201 1 399 . 1 1 34 34 GLN C C 13 174.5586 0.6 . 1 . 15377 . A 748 GLN C . 30201 1 400 . 1 1 34 34 GLN CA C 13 54.2000 0.6 . 1 . 12965 . A 748 GLN CA . 30201 1 401 . 1 1 34 34 GLN CB C 13 28.7555 0.6 . 1 . 12995 . A 748 GLN CB . 30201 1 402 . 1 1 34 34 GLN CG C 13 34.0020 0.6 . 1 . 36977 . A 748 GLN CG . 30201 1 403 . 1 1 34 34 GLN N N 15 122.8078 0.3 . 1 . 14841 . A 748 GLN N . 30201 1 404 . 1 1 34 34 GLN NE2 N 15 112.6727 0.3 . 1 . . . A 748 GLN NE2 . 30201 1 405 . 1 1 35 35 GLY H H 1 8.4031 0.05 . 1 . 23715 . A 749 GLY H . 30201 1 406 . 1 1 35 35 GLY HA2 H 1 2.5140 0.05 . 2 . . . A 749 GLY HA2 . 30201 1 407 . 1 1 35 35 GLY HA3 H 1 2.8670 0.05 . 2 . . . A 749 GLY HA3 . 30201 1 408 . 1 1 35 35 GLY C C 13 171.8869 0.6 . 1 . 23728 . A 749 GLY C . 30201 1 409 . 1 1 35 35 GLY CA C 13 43.6184 0.6 . 1 . 23740 . A 749 GLY CA . 30201 1 410 . 1 1 35 35 GLY N N 15 116.9427 0.3 . 1 . 23717 . A 749 GLY N . 30201 1 411 . 1 1 36 36 PRO HA H 1 4.4350 0.05 . 1 . 32078 . A 750 PRO HA . 30201 1 412 . 1 1 36 36 PRO HB2 H 1 1.9290 0.05 . 2 . 32090 . A 750 PRO HB2 . 30201 1 413 . 1 1 36 36 PRO HB3 H 1 1.7430 0.05 . 2 . 32096 . A 750 PRO HB3 . 30201 1 414 . 1 1 36 36 PRO HG2 H 1 1.7300 0.05 . 2 . 33530 . A 750 PRO HG2 . 30201 1 415 . 1 1 36 36 PRO HG3 H 1 1.8213 0.05 . 2 . 33530 . A 750 PRO HG3 . 30201 1 416 . 1 1 36 36 PRO HD2 H 1 3.6020 0.05 . 2 . 33506 . A 750 PRO HD2 . 30201 1 417 . 1 1 36 36 PRO HD3 H 1 3.3350 0.05 . 2 . 33515 . A 750 PRO HD3 . 30201 1 418 . 1 1 36 36 PRO C C 13 175.7723 0.6 . 1 . 16547 . A 750 PRO C . 30201 1 419 . 1 1 36 36 PRO CA C 13 61.6421 0.6 . 1 . 14564 . A 750 PRO CA . 30201 1 420 . 1 1 36 36 PRO CB C 13 35.9400 0.6 . 1 . 14930 . A 750 PRO CB . 30201 1 421 . 1 1 36 36 PRO CG C 13 25.4150 0.6 . 1 . 36896 . A 750 PRO CG . 30201 1 422 . 1 1 36 36 PRO CD C 13 51.1050 0.6 . 1 . 36878 . A 750 PRO CD . 30201 1 423 . 1 1 37 37 PHE H H 1 9.0031 0.05 . 1 . 14563 . A 751 PHE H . 30201 1 424 . 1 1 37 37 PHE HA H 1 5.4630 0.05 . 1 . 33650 . A 751 PHE HA . 30201 1 425 . 1 1 37 37 PHE HB2 H 1 2.9880 0.05 . 2 . 33662 . A 751 PHE HB2 . 30201 1 426 . 1 1 37 37 PHE HB3 H 1 2.6700 0.05 . 2 . 33668 . A 751 PHE HB3 . 30201 1 427 . 1 1 37 37 PHE HD1 H 1 7.1700 0.05 . 3 . . . A 751 PHE HD1 . 30201 1 428 . 1 1 37 37 PHE HE1 H 1 7.0160 0.05 . 3 . . . A 751 PHE HE1 . 30201 1 429 . 1 1 37 37 PHE C C 13 176.0444 0.6 . 1 . 15227 . A 751 PHE C . 30201 1 430 . 1 1 37 37 PHE CA C 13 56.9752 0.6 . 1 . 13334 . A 751 PHE CA . 30201 1 431 . 1 1 37 37 PHE CB C 13 43.6230 0.6 . 1 . 13337 . A 751 PHE CB . 30201 1 432 . 1 1 37 37 PHE CD1 C 13 130.9800 0.6 . 3 . . . A 751 PHE CD1 . 30201 1 433 . 1 1 37 37 PHE CE1 C 13 129.6300 0.6 . 3 . . . A 751 PHE CE1 . 30201 1 434 . 1 1 37 37 PHE N N 15 118.6906 0.3 . 1 . 14565 . A 751 PHE N . 30201 1 435 . 1 1 38 38 THR H H 1 8.9210 0.05 . 1 . 13921 . A 752 THR H . 30201 1 436 . 1 1 38 38 THR HA H 1 5.5560 0.05 . 1 . 32639 . A 752 THR HA . 30201 1 437 . 1 1 38 38 THR HB H 1 3.9930 0.05 . 1 . 32642 . A 752 THR HB . 30201 1 438 . 1 1 38 38 THR HG21 H 1 1.0670 0.05 . 1 . 32645 . A 752 THR HG21 . 30201 1 439 . 1 1 38 38 THR HG22 H 1 1.0670 0.05 . 1 . 32645 . A 752 THR HG22 . 30201 1 440 . 1 1 38 38 THR HG23 H 1 1.0670 0.05 . 1 . 32645 . A 752 THR HG23 . 30201 1 441 . 1 1 38 38 THR C C 13 173.9658 0.6 . 1 . 15458 . A 752 THR C . 30201 1 442 . 1 1 38 38 THR CA C 13 61.7359 0.6 . 1 . 13925 . A 752 THR CA . 30201 1 443 . 1 1 38 38 THR CB C 13 70.9357 0.6 . 1 . 13499 . A 752 THR CB . 30201 1 444 . 1 1 38 38 THR CG2 C 13 21.4800 0.6 . 1 . 35912 . A 752 THR CG2 . 30201 1 445 . 1 1 38 38 THR N N 15 114.9774 0.3 . 1 . 13923 . A 752 THR N . 30201 1 446 . 1 1 39 39 LEU H H 1 9.2584 0.05 . 1 . 12319 . A 753 LEU H . 30201 1 447 . 1 1 39 39 LEU HA H 1 5.1090 0.05 . 1 . 31694 . A 753 LEU HA . 30201 1 448 . 1 1 39 39 LEU HB2 H 1 1.7410 0.05 . 2 . 31715 . A 753 LEU HB2 . 30201 1 449 . 1 1 39 39 LEU HB3 H 1 1.0010 0.05 . 2 . 31718 . A 753 LEU HB3 . 30201 1 450 . 1 1 39 39 LEU HG H 1 1.5790 0.05 . 1 . 33287 . A 753 LEU HG . 30201 1 451 . 1 1 39 39 LEU HD11 H 1 0.8940 0.05 . 2 . 33293 . A 753 LEU HD11 . 30201 1 452 . 1 1 39 39 LEU HD12 H 1 0.8940 0.05 . 2 . 33293 . A 753 LEU HD12 . 30201 1 453 . 1 1 39 39 LEU HD13 H 1 0.8940 0.05 . 2 . 33293 . A 753 LEU HD13 . 30201 1 454 . 1 1 39 39 LEU HD21 H 1 0.7480 0.05 . 2 . 33296 . A 753 LEU HD21 . 30201 1 455 . 1 1 39 39 LEU HD22 H 1 0.7480 0.05 . 2 . 33296 . A 753 LEU HD22 . 30201 1 456 . 1 1 39 39 LEU HD23 H 1 0.7480 0.05 . 2 . 33296 . A 753 LEU HD23 . 30201 1 457 . 1 1 39 39 LEU C C 13 173.8876 0.6 . 1 . 15434 . A 753 LEU C . 30201 1 458 . 1 1 39 39 LEU CA C 13 53.6359 0.6 . 1 . 14315 . A 753 LEU CA . 30201 1 459 . 1 1 39 39 LEU CB C 13 47.6141 0.6 . 1 . 12323 . A 753 LEU CB . 30201 1 460 . 1 1 39 39 LEU CG C 13 27.4084 0.6 . 1 . 36623 . A 753 LEU CG . 30201 1 461 . 1 1 39 39 LEU CD1 C 13 23.1580 0.6 . 2 . 36626 . A 753 LEU CD1 . 30201 1 462 . 1 1 39 39 LEU CD2 C 13 26.1730 0.6 . 2 . 36626 . A 753 LEU CD2 . 30201 1 463 . 1 1 39 39 LEU N N 15 132.3874 0.3 . 1 . 12321 . A 753 LEU N . 30201 1 464 . 1 1 40 40 THR H H 1 8.8331 0.05 . 1 . 15943 . A 754 THR H . 30201 1 465 . 1 1 40 40 THR HA H 1 5.7770 0.05 . 1 . 32993 . A 754 THR HA . 30201 1 466 . 1 1 40 40 THR HB H 1 4.1200 0.05 . 1 . 33005 . A 754 THR HB . 30201 1 467 . 1 1 40 40 THR HG21 H 1 1.0670 0.05 . 1 . 33032 . A 754 THR HG21 . 30201 1 468 . 1 1 40 40 THR HG22 H 1 1.0670 0.05 . 1 . 33032 . A 754 THR HG22 . 30201 1 469 . 1 1 40 40 THR HG23 H 1 1.0670 0.05 . 1 . 33032 . A 754 THR HG23 . 30201 1 470 . 1 1 40 40 THR C C 13 174.1900 0.6 . 1 . 15425 . A 754 THR C . 30201 1 471 . 1 1 40 40 THR CA C 13 61.1210 0.6 . 1 . 13031 . A 754 THR CA . 30201 1 472 . 1 1 40 40 THR CB C 13 69.7691 0.6 . 1 . 13025 . A 754 THR CB . 30201 1 473 . 1 1 40 40 THR CG2 C 13 20.5300 0.6 . 1 . 36416 . A 754 THR CG2 . 30201 1 474 . 1 1 40 40 THR N N 15 121.9524 0.3 . 1 . 15945 . A 754 THR N . 30201 1 475 . 1 1 41 41 TYR H H 1 9.2269 0.05 . 1 . 15394 . A 755 TYR H . 30201 1 476 . 1 1 41 41 TYR HA H 1 5.3450 0.05 . 1 . 33407 . A 755 TYR HA . 30201 1 477 . 1 1 41 41 TYR HB2 H 1 3.0940 0.05 . 2 . 33425 . A 755 TYR HB2 . 30201 1 478 . 1 1 41 41 TYR HB3 H 1 2.7980 0.05 . 2 . 33431 . A 755 TYR HB3 . 30201 1 479 . 1 1 41 41 TYR HD1 H 1 6.7060 0.05 . 3 . . . A 755 TYR HD1 . 30201 1 480 . 1 1 41 41 TYR HD2 H 1 7.1560 0.05 . 3 . . . A 755 TYR HD2 . 30201 1 481 . 1 1 41 41 TYR HE1 H 1 6.3380 0.05 . 3 . . . A 755 TYR HE1 . 30201 1 482 . 1 1 41 41 TYR HE2 H 1 6.7060 0.05 . 3 . . . A 755 TYR HE2 . 30201 1 483 . 1 1 41 41 TYR C C 13 170.0453 0.6 . 1 . 15560 . A 755 TYR C . 30201 1 484 . 1 1 41 41 TYR CA C 13 56.3286 0.6 . 1 . 14156 . A 755 TYR CA . 30201 1 485 . 1 1 41 41 TYR CB C 13 41.6699 0.6 . 1 . 12797 . A 755 TYR CB . 30201 1 486 . 1 1 41 41 TYR CD1 C 13 130.3810 0.6 . 3 . . . A 755 TYR CD1 . 30201 1 487 . 1 1 41 41 TYR CE1 C 13 117.7500 0.6 . 3 . . . A 755 TYR CE1 . 30201 1 488 . 1 1 41 41 TYR N N 15 124.0722 0.3 . 1 . 15396 . A 755 TYR N . 30201 1 489 . 1 1 42 42 ASP H H 1 9.4617 0.05 . 1 . 14698 . A 756 ASP H . 30201 1 490 . 1 1 42 42 ASP HA H 1 6.1450 0.05 . 1 . 33539 . A 756 ASP HA . 30201 1 491 . 1 1 42 42 ASP HB2 H 1 2.5410 0.05 . 2 . 32135 . A 756 ASP HB2 . 30201 1 492 . 1 1 42 42 ASP HB3 H 1 2.3750 0.05 . 2 . 33545 . A 756 ASP HB3 . 30201 1 493 . 1 1 42 42 ASP C C 13 177.2676 0.6 . 1 . 15140 . A 756 ASP C . 30201 1 494 . 1 1 42 42 ASP CA C 13 52.4130 0.6 . 1 . 13247 . A 756 ASP CA . 30201 1 495 . 1 1 42 42 ASP CB C 13 44.6986 0.6 . 1 . 13253 . A 756 ASP CB . 30201 1 496 . 1 1 42 42 ASP N N 15 120.1001 0.3 . 1 . 14700 . A 756 ASP N . 30201 1 497 . 1 1 43 43 ILE H H 1 9.1744 0.05 . 1 . 14776 . A 757 ILE H . 30201 1 498 . 1 1 43 43 ILE HA H 1 5.3800 0.05 . 1 . 32648 . A 757 ILE HA . 30201 1 499 . 1 1 43 43 ILE HB H 1 2.1000 0.05 . 1 . 31004 . A 757 ILE HB . 30201 1 500 . 1 1 43 43 ILE HG12 H 1 1.3470 0.05 . 2 . 32654 . A 757 ILE HG12 . 30201 1 501 . 1 1 43 43 ILE HG13 H 1 1.9600 0.05 . 2 . 32657 . A 757 ILE HG13 . 30201 1 502 . 1 1 43 43 ILE HG21 H 1 1.1300 0.05 . 1 . 32657 . A 757 ILE HG21 . 30201 1 503 . 1 1 43 43 ILE HG22 H 1 1.1300 0.05 . 1 . 32657 . A 757 ILE HG22 . 30201 1 504 . 1 1 43 43 ILE HG23 H 1 1.1300 0.05 . 1 . 32657 . A 757 ILE HG23 . 30201 1 505 . 1 1 43 43 ILE HD11 H 1 0.9420 0.05 . 1 . 32660 . A 757 ILE HD11 . 30201 1 506 . 1 1 43 43 ILE HD12 H 1 0.9420 0.05 . 1 . 32660 . A 757 ILE HD12 . 30201 1 507 . 1 1 43 43 ILE HD13 H 1 0.9420 0.05 . 1 . 32660 . A 757 ILE HD13 . 30201 1 508 . 1 1 43 43 ILE C C 13 176.2076 0.6 . 1 . 15200 . A 757 ILE C . 30201 1 509 . 1 1 43 43 ILE CA C 13 60.3813 0.6 . 1 . 13952 . A 757 ILE CA . 30201 1 510 . 1 1 43 43 ILE CB C 13 39.3267 0.6 . 1 . 13379 . A 757 ILE CB . 30201 1 511 . 1 1 43 43 ILE CG1 C 13 28.4840 0.6 . 1 . 35933 . A 757 ILE CG1 . 30201 1 512 . 1 1 43 43 ILE CG2 C 13 17.6850 0.6 . 1 . 35936 . A 757 ILE CG2 . 30201 1 513 . 1 1 43 43 ILE CD1 C 13 13.2640 0.6 . 1 . 35939 . A 757 ILE CD1 . 30201 1 514 . 1 1 43 43 ILE N N 15 117.8155 0.3 . 1 . 14778 . A 757 ILE N . 30201 1 515 . 1 1 44 44 ILE H H 1 9.9032 0.05 . 1 . 15697 . A 758 ILE H . 30201 1 516 . 1 1 44 44 ILE HA H 1 4.7190 0.05 . 1 . 32729 . A 758 ILE HA . 30201 1 517 . 1 1 44 44 ILE HB H 1 1.7720 0.05 . 1 . 32750 . A 758 ILE HB . 30201 1 518 . 1 1 44 44 ILE HG12 H 1 1.4960 0.05 . 2 . . . A 758 ILE HG12 . 30201 1 519 . 1 1 44 44 ILE HG13 H 1 0.9130 0.05 . 2 . . . A 758 ILE HG13 . 30201 1 520 . 1 1 44 44 ILE HG21 H 1 0.9010 0.05 . 1 . 32756 . A 758 ILE HG21 . 30201 1 521 . 1 1 44 44 ILE HG22 H 1 0.9010 0.05 . 1 . 32756 . A 758 ILE HG22 . 30201 1 522 . 1 1 44 44 ILE HG23 H 1 0.9010 0.05 . 1 . 32756 . A 758 ILE HG23 . 30201 1 523 . 1 1 44 44 ILE HD11 H 1 0.6960 0.05 . 1 . 32765 . A 758 ILE HD11 . 30201 1 524 . 1 1 44 44 ILE HD12 H 1 0.6960 0.05 . 1 . 32765 . A 758 ILE HD12 . 30201 1 525 . 1 1 44 44 ILE HD13 H 1 0.6960 0.05 . 1 . 32765 . A 758 ILE HD13 . 30201 1 526 . 1 1 44 44 ILE C C 13 175.6652 0.6 . 1 . 15272 . A 758 ILE C . 30201 1 527 . 1 1 44 44 ILE CA C 13 60.4632 0.6 . 1 . 13961 . A 758 ILE CA . 30201 1 528 . 1 1 44 44 ILE CB C 13 41.7826 0.6 . 1 . 12329 . A 758 ILE CB . 30201 1 529 . 1 1 44 44 ILE CG1 C 13 28.8600 0.6 . 1 . . . A 758 ILE CG1 . 30201 1 530 . 1 1 44 44 ILE CG2 C 13 14.9040 0.6 . 1 . 36080 . A 758 ILE CG2 . 30201 1 531 . 1 1 44 44 ILE CD1 C 13 17.5430 0.6 . 1 . 36083 . A 758 ILE CD1 . 30201 1 532 . 1 1 44 44 ILE N N 15 130.3551 0.3 . 1 . 15699 . A 758 ILE N . 30201 1 533 . 1 1 45 45 GLU H H 1 8.5940 0.05 . 1 . 15241 . A 759 GLU H . 30201 1 534 . 1 1 45 45 GLU HA H 1 4.0970 0.05 . 1 . 32144 . A 759 GLU HA . 30201 1 535 . 1 1 45 45 GLU HB2 H 1 1.9500 0.05 . 2 . 32156 . A 759 GLU HB2 . 30201 1 536 . 1 1 45 45 GLU HB3 H 1 1.2700 0.05 . 2 . 32159 . A 759 GLU HB3 . 30201 1 537 . 1 1 45 45 GLU HG2 H 1 2.2070 0.05 . 2 . 37385 . A 759 GLU HG2 . 30201 1 538 . 1 1 45 45 GLU HG3 H 1 1.8530 0.05 . 2 . 33548 . A 759 GLU HG3 . 30201 1 539 . 1 1 45 45 GLU C C 13 176.8535 0.6 . 1 . 15152 . A 759 GLU C . 30201 1 540 . 1 1 45 45 GLU CA C 13 55.3354 0.6 . 1 . 14198 . A 759 GLU CA . 30201 1 541 . 1 1 45 45 GLU CB C 13 30.0469 0.6 . 1 . 12464 . A 759 GLU CB . 30201 1 542 . 1 1 45 45 GLU CG C 13 36.7070 0.6 . 1 . 36920 . A 759 GLU CG . 30201 1 543 . 1 1 45 45 GLU N N 15 127.7519 0.3 . 1 . 15243 . A 759 GLU N . 30201 1 544 . 1 1 46 46 THR H H 1 7.9364 0.05 . 1 . 13360 . A 760 THR H . 30201 1 545 . 1 1 46 46 THR HA H 1 4.1760 0.05 . 1 . 32141 . A 760 THR HA . 30201 1 546 . 1 1 46 46 THR HB H 1 3.9760 0.05 . 1 . 32150 . A 760 THR HB . 30201 1 547 . 1 1 46 46 THR HG21 H 1 1.1770 0.05 . 1 . 33563 . A 760 THR HG21 . 30201 1 548 . 1 1 46 46 THR HG22 H 1 1.1770 0.05 . 1 . 33563 . A 760 THR HG22 . 30201 1 549 . 1 1 46 46 THR HG23 H 1 1.1770 0.05 . 1 . 33563 . A 760 THR HG23 . 30201 1 550 . 1 1 46 46 THR C C 13 176.1476 0.6 . 1 . 30512 . A 760 THR C . 30201 1 551 . 1 1 46 46 THR CA C 13 68.6780 0.6 . 1 . 13832 . A 760 THR CA . 30201 1 552 . 1 1 46 46 THR CB C 13 65.6760 0.6 . 1 . 13361 . A 760 THR CB . 30201 1 553 . 1 1 46 46 THR CG2 C 13 21.6800 0.6 . 1 . 36947 . A 760 THR CG2 . 30201 1 554 . 1 1 46 46 THR N N 15 117.7512 0.3 . 1 . 13362 . A 760 THR N . 30201 1 555 . 1 1 47 47 PHE H H 1 7.8357 0.05 . 1 . 15625 . A 761 PHE H . 30201 1 556 . 1 1 47 47 PHE HA H 1 4.5660 0.05 . 1 . 33680 . A 761 PHE HA . 30201 1 557 . 1 1 47 47 PHE HB2 H 1 3.3920 0.05 . 2 . 33683 . A 761 PHE HB2 . 30201 1 558 . 1 1 47 47 PHE HB3 H 1 3.0950 0.05 . 2 . 33686 . A 761 PHE HB3 . 30201 1 559 . 1 1 47 47 PHE HD1 H 1 7.2700 0.05 . 3 . . . A 761 PHE HD1 . 30201 1 560 . 1 1 47 47 PHE HD2 H 1 6.8200 0.05 . 3 . . . A 761 PHE HD2 . 30201 1 561 . 1 1 47 47 PHE HE1 H 1 7.0500 0.05 . 3 . . . A 761 PHE HE1 . 30201 1 562 . 1 1 47 47 PHE C C 13 175.7250 0.6 . 1 . 15263 . A 761 PHE C . 30201 1 563 . 1 1 47 47 PHE CA C 13 57.6600 0.6 . 1 . 37094 . A 761 PHE CA . 30201 1 564 . 1 1 47 47 PHE CB C 13 38.4130 0.6 . 1 . 37100 . A 761 PHE CB . 30201 1 565 . 1 1 47 47 PHE CD1 C 13 130.4900 0.6 . 3 . . . A 761 PHE CD1 . 30201 1 566 . 1 1 47 47 PHE N N 15 117.6248 0.3 . 1 . 15627 . A 761 PHE N . 30201 1 567 . 1 1 48 48 SER H H 1 7.3387 0.05 . 1 . 14617 . A 762 SER H . 30201 1 568 . 1 1 48 48 SER HA H 1 4.6180 0.05 . 1 . 32255 . A 762 SER HA . 30201 1 569 . 1 1 48 48 SER HB2 H 1 4.0680 0.05 . 2 . 32264 . A 762 SER HB2 . 30201 1 570 . 1 1 48 48 SER HB3 H 1 3.7710 0.05 . 2 . 32267 . A 762 SER HB3 . 30201 1 571 . 1 1 48 48 SER C C 13 174.8580 0.6 . 1 . 15368 . A 762 SER C . 30201 1 572 . 1 1 48 48 SER CA C 13 58.1094 0.6 . 1 . 14048 . A 762 SER CA . 30201 1 573 . 1 1 48 48 SER CB C 13 65.0316 0.6 . 1 . 13535 . A 762 SER CB . 30201 1 574 . 1 1 48 48 SER N N 15 114.3319 0.3 . 1 . 14619 . A 762 SER N . 30201 1 575 . 1 1 49 49 SER H H 1 8.0990 0.05 . 1 . . . A 763 SER H . 30201 1 576 . 1 1 49 49 SER HA H 1 4.0820 0.05 . 1 . 31700 . A 763 SER HA . 30201 1 577 . 1 1 49 49 SER HB2 H 1 4.1770 0.05 . 2 . 31697 . A 763 SER HB2 . 30201 1 578 . 1 1 49 49 SER HB3 H 1 4.1770 0.05 . 2 . 31703 . A 763 SER HB3 . 30201 1 579 . 1 1 49 49 SER C C 13 173.6406 0.6 . 1 . 30505 . A 763 SER C . 30201 1 580 . 1 1 49 49 SER CA C 13 62.9570 0.6 . 1 . 13982 . A 763 SER CA . 30201 1 581 . 1 1 49 49 SER CB C 13 60.4984 0.6 . 1 . 13481 . A 763 SER CB . 30201 1 582 . 1 1 49 49 SER N N 15 115.1270 0.3 . 1 . . . A 763 SER N . 30201 1 583 . 1 1 50 50 LYS H H 1 8.1700 0.05 . 1 . 13027 . A 764 LYS H . 30201 1 584 . 1 1 50 50 LYS HA H 1 4.2910 0.05 . 1 . 31631 . A 764 LYS HA . 30201 1 585 . 1 1 50 50 LYS HB2 H 1 1.7700 0.05 . 2 . 37388 . A 764 LYS HB2 . 30201 1 586 . 1 1 50 50 LYS HB3 H 1 1.7100 0.05 . 2 . 31649 . A 764 LYS HB3 . 30201 1 587 . 1 1 50 50 LYS HG2 H 1 1.4440 0.05 . 2 . 33182 . A 764 LYS HG2 . 30201 1 588 . 1 1 50 50 LYS HG3 H 1 1.3490 0.05 . 2 . 37394 . A 764 LYS HG3 . 30201 1 589 . 1 1 50 50 LYS HD2 H 1 1.7260 0.05 . 2 . 33179 . A 764 LYS HD2 . 30201 1 590 . 1 1 50 50 LYS HD3 H 1 1.7260 0.05 . 2 . 33179 . A 764 LYS HD3 . 30201 1 591 . 1 1 50 50 LYS HE2 H 1 2.7520 0.05 . 2 . 33137 . A 764 LYS HE2 . 30201 1 592 . 1 1 50 50 LYS HE3 H 1 2.7520 0.05 . 2 . 33137 . A 764 LYS HE3 . 30201 1 593 . 1 1 50 50 LYS C C 13 175.4923 0.6 . 1 . 15284 . A 764 LYS C . 30201 1 594 . 1 1 50 50 LYS CA C 13 57.1283 0.6 . 1 . 13049 . A 764 LYS CA . 30201 1 595 . 1 1 50 50 LYS CB C 13 33.5605 0.6 . 1 . 13019 . A 764 LYS CB . 30201 1 596 . 1 1 50 50 LYS CG C 13 25.3120 0.6 . 1 . 36557 . A 764 LYS CG . 30201 1 597 . 1 1 50 50 LYS CD C 13 29.0010 0.6 . 1 . 36554 . A 764 LYS CD . 30201 1 598 . 1 1 50 50 LYS CE C 13 41.7590 0.6 . 1 . 36500 . A 764 LYS CE . 30201 1 599 . 1 1 50 50 LYS N N 15 122.0045 0.3 . 1 . 13029 . A 764 LYS N . 30201 1 600 . 1 1 51 51 ARG H H 1 8.5844 0.05 . 1 . 28206 . A 765 ARG H . 30201 1 601 . 1 1 51 51 ARG HA H 1 5.1770 0.05 . 1 . 31322 . A 765 ARG HA . 30201 1 602 . 1 1 51 51 ARG HB2 H 1 1.7330 0.05 . 2 . 31340 . A 765 ARG HB2 . 30201 1 603 . 1 1 51 51 ARG HB3 H 1 1.6360 0.05 . 2 . 31346 . A 765 ARG HB3 . 30201 1 604 . 1 1 51 51 ARG HG2 H 1 1.3930 0.05 . 2 . 37400 . A 765 ARG HG2 . 30201 1 605 . 1 1 51 51 ARG HG3 H 1 1.3930 0.05 . 2 . 37400 . A 765 ARG HG3 . 30201 1 606 . 1 1 51 51 ARG HD2 H 1 3.1250 0.05 . 2 . 32939 . A 765 ARG HD2 . 30201 1 607 . 1 1 51 51 ARG HD3 H 1 3.1250 0.05 . 2 . 32939 . A 765 ARG HD3 . 30201 1 608 . 1 1 51 51 ARG HE H 1 7.2973 0.05 . 1 . . . A 765 ARG HE . 30201 1 609 . 1 1 51 51 ARG C C 13 174.7480 0.6 . 1 . 28228 . A 765 ARG C . 30201 1 610 . 1 1 51 51 ARG CA C 13 54.8179 0.6 . 1 . 28225 . A 765 ARG CA . 30201 1 611 . 1 1 51 51 ARG CB C 13 34.6162 0.6 . 1 . 28219 . A 765 ARG CB . 30201 1 612 . 1 1 51 51 ARG CG C 13 26.6410 0.6 . 1 . 36308 . A 765 ARG CG . 30201 1 613 . 1 1 51 51 ARG CD C 13 43.5410 0.6 . 1 . 36281 . A 765 ARG CD . 30201 1 614 . 1 1 51 51 ARG N N 15 122.7044 0.3 . 1 . 28208 . A 765 ARG N . 30201 1 615 . 1 1 51 51 ARG NE N 15 83.56 0.3 . 1 . . . A 765 ARG NE . 30201 1 616 . 1 1 52 52 LYS H H 1 8.6097 0.05 . 1 . 14935 . A 766 LYS H . 30201 1 617 . 1 1 52 52 LYS HA H 1 4.5140 0.05 . 1 . 31850 . A 766 LYS HA . 30201 1 618 . 1 1 52 52 LYS HB2 H 1 1.6800 0.05 . 2 . 33374 . A 766 LYS HB2 . 30201 1 619 . 1 1 52 52 LYS HB3 H 1 1.6800 0.05 . 2 . 31868 . A 766 LYS HB3 . 30201 1 620 . 1 1 52 52 LYS HG2 H 1 1.3040 0.05 . 2 . 33380 . A 766 LYS HG2 . 30201 1 621 . 1 1 52 52 LYS HG3 H 1 1.1190 0.05 . 2 . 33383 . A 766 LYS HG3 . 30201 1 622 . 1 1 52 52 LYS HD2 H 1 1.6700 0.05 . 2 . 33374 . A 766 LYS HD2 . 30201 1 623 . 1 1 52 52 LYS HD3 H 1 1.6700 0.05 . 2 . 33374 . A 766 LYS HD3 . 30201 1 624 . 1 1 52 52 LYS HE2 H 1 2.8910 0.05 . 2 . 33365 . A 766 LYS HE2 . 30201 1 625 . 1 1 52 52 LYS HE3 H 1 2.8910 0.05 . 2 . 33365 . A 766 LYS HE3 . 30201 1 626 . 1 1 52 52 LYS C C 13 173.7891 0.6 . 1 . 15443 . A 766 LYS C . 30201 1 627 . 1 1 52 52 LYS CA C 13 55.3799 0.6 . 1 . 22712 . A 766 LYS CA . 30201 1 628 . 1 1 52 52 LYS CB C 13 35.7545 0.6 . 1 . 22684 . A 766 LYS CB . 30201 1 629 . 1 1 52 52 LYS CG C 13 25.2410 0.6 . 1 . 36737 . A 766 LYS CG . 30201 1 630 . 1 1 52 52 LYS CD C 13 29.1940 0.6 . 1 . 36728 . A 766 LYS CD . 30201 1 631 . 1 1 52 52 LYS CE C 13 42.2580 0.6 . 1 . 36701 . A 766 LYS CE . 30201 1 632 . 1 1 52 52 LYS N N 15 124.9035 0.3 . 1 . 14937 . A 766 LYS N . 30201 1 633 . 1 1 53 53 THR H H 1 8.0500 0.05 . 1 . 30415 . A 767 THR H . 30201 1 634 . 1 1 53 53 THR HA H 1 5.2160 0.05 . 1 . 32771 . A 767 THR HA . 30201 1 635 . 1 1 53 53 THR HB H 1 3.4840 0.05 . 1 . 32783 . A 767 THR HB . 30201 1 636 . 1 1 53 53 THR HG21 H 1 1.0620 0.05 . 1 . 32801 . A 767 THR HG21 . 30201 1 637 . 1 1 53 53 THR HG22 H 1 1.0620 0.05 . 1 . 32801 . A 767 THR HG22 . 30201 1 638 . 1 1 53 53 THR HG23 H 1 1.0620 0.05 . 1 . 32801 . A 767 THR HG23 . 30201 1 639 . 1 1 53 53 THR C C 13 173.6492 0.6 . 1 . 30437 . A 767 THR C . 30201 1 640 . 1 1 53 53 THR CA C 13 61.7264 0.6 . 1 . 30440 . A 767 THR CA . 30201 1 641 . 1 1 53 53 THR CB C 13 70.2010 0.6 . 1 . 36089 . A 767 THR CB . 30201 1 642 . 1 1 53 53 THR CG2 C 13 22.0860 0.6 . 1 . 36128 . A 767 THR CG2 . 30201 1 643 . 1 1 53 53 THR N N 15 120.8772 0.3 . 1 . 30417 . A 767 THR N . 30201 1 644 . 1 1 54 54 PHE H H 1 9.4293 0.05 . 1 . 13891 . A 768 PHE H . 30201 1 645 . 1 1 54 54 PHE HA H 1 4.4010 0.05 . 1 . 33251 . A 768 PHE HA . 30201 1 646 . 1 1 54 54 PHE HB2 H 1 2.4390 0.05 . 2 . 33278 . A 768 PHE HB2 . 30201 1 647 . 1 1 54 54 PHE HB3 H 1 1.4880 0.05 . 2 . 33290 . A 768 PHE HB3 . 30201 1 648 . 1 1 54 54 PHE HD1 H 1 7.0850 0.05 . 3 . . . A 768 PHE HD1 . 30201 1 649 . 1 1 54 54 PHE C C 13 172.7434 0.6 . 1 . 15503 . A 768 PHE C . 30201 1 650 . 1 1 54 54 PHE CA C 13 56.9139 0.6 . 1 . 12488 . A 768 PHE CA . 30201 1 651 . 1 1 54 54 PHE CB C 13 41.6780 0.6 . 1 . 36614 . A 768 PHE CB . 30201 1 652 . 1 1 54 54 PHE CD1 C 13 132.7600 0.6 . 3 . . . A 768 PHE CD1 . 30201 1 653 . 1 1 54 54 PHE N N 15 127.3645 0.3 . 1 . 13893 . A 768 PHE N . 30201 1 654 . 1 1 55 55 GLU H H 1 8.3671 0.05 . 1 . 14122 . A 769 GLU H . 30201 1 655 . 1 1 55 55 GLU HA H 1 5.0610 0.05 . 1 . 32675 . A 769 GLU HA . 30201 1 656 . 1 1 55 55 GLU HB2 H 1 1.9270 0.05 . 2 . 31040 . A 769 GLU HB2 . 30201 1 657 . 1 1 55 55 GLU HB3 H 1 1.7430 0.05 . 2 . 31043 . A 769 GLU HB3 . 30201 1 658 . 1 1 55 55 GLU HG2 H 1 1.9350 0.05 . 2 . 32684 . A 769 GLU HG2 . 30201 1 659 . 1 1 55 55 GLU HG3 H 1 1.7190 0.05 . 2 . 32690 . A 769 GLU HG3 . 30201 1 660 . 1 1 55 55 GLU C C 13 174.8342 0.6 . 1 . 15359 . A 769 GLU C . 30201 1 661 . 1 1 55 55 GLU CA C 13 54.5976 0.6 . 1 . 14270 . A 769 GLU CA . 30201 1 662 . 1 1 55 55 GLU CB C 13 32.8808 0.6 . 1 . 13091 . A 769 GLU CB . 30201 1 663 . 1 1 55 55 GLU CG C 13 37.3580 0.6 . 1 . 35981 . A 769 GLU CG . 30201 1 664 . 1 1 55 55 GLU N N 15 121.6533 0.3 . 1 . 14124 . A 769 GLU N . 30201 1 665 . 1 1 56 56 ILE H H 1 9.3846 0.05 . 1 . 12355 . A 770 ILE H . 30201 1 666 . 1 1 56 56 ILE HA H 1 4.4430 0.05 . 1 . 32963 . A 770 ILE HA . 30201 1 667 . 1 1 56 56 ILE HB H 1 2.0050 0.05 . 1 . 31367 . A 770 ILE HB . 30201 1 668 . 1 1 56 56 ILE HG12 H 1 1.6120 0.05 . 2 . 37403 . A 770 ILE HG12 . 30201 1 669 . 1 1 56 56 ILE HG13 H 1 1.6120 0.05 . 2 . 32987 . A 770 ILE HG13 . 30201 1 670 . 1 1 56 56 ILE HG21 H 1 0.7850 0.05 . 1 . 32990 . A 770 ILE HG21 . 30201 1 671 . 1 1 56 56 ILE HG22 H 1 0.7850 0.05 . 1 . 32990 . A 770 ILE HG22 . 30201 1 672 . 1 1 56 56 ILE HG23 H 1 0.7850 0.05 . 1 . 32990 . A 770 ILE HG23 . 30201 1 673 . 1 1 56 56 ILE HD11 H 1 1.0450 0.05 . 1 . 32990 . A 770 ILE HD11 . 30201 1 674 . 1 1 56 56 ILE HD12 H 1 1.0450 0.05 . 1 . 32990 . A 770 ILE HD12 . 30201 1 675 . 1 1 56 56 ILE HD13 H 1 1.0450 0.05 . 1 . 32990 . A 770 ILE HD13 . 30201 1 676 . 1 1 56 56 ILE C C 13 174.8725 0.6 . 1 . 15341 . A 770 ILE C . 30201 1 677 . 1 1 56 56 ILE CA C 13 59.2528 0.6 . 1 . 12350 . A 770 ILE CA . 30201 1 678 . 1 1 56 56 ILE CB C 13 38.0260 0.6 . 1 . 12371 . A 770 ILE CB . 30201 1 679 . 1 1 56 56 ILE CG1 C 13 26.4990 0.6 . 1 . 36362 . A 770 ILE CG1 . 30201 1 680 . 1 1 56 56 ILE CG2 C 13 17.3690 0.6 . 1 . 36371 . A 770 ILE CG2 . 30201 1 681 . 1 1 56 56 ILE CD1 C 13 11.1730 0.6 . 1 . 36374 . A 770 ILE CD1 . 30201 1 682 . 1 1 56 56 ILE N N 15 129.1489 0.3 . 1 . 12357 . A 770 ILE N . 30201 1 683 . 1 1 57 57 LYS H H 1 8.5036 0.05 . 1 . 17222 . A 771 LYS H . 30201 1 684 . 1 1 57 57 LYS HA H 1 4.8150 0.05 . 1 . 32222 . A 771 LYS HA . 30201 1 685 . 1 1 57 57 LYS HB2 H 1 1.8390 0.05 . 2 . 32231 . A 771 LYS HB2 . 30201 1 686 . 1 1 57 57 LYS HB3 H 1 1.7640 0.05 . 2 . 32234 . A 771 LYS HB3 . 30201 1 687 . 1 1 57 57 LYS HG2 H 1 1.3970 0.05 . 2 . 33635 . A 771 LYS HG2 . 30201 1 688 . 1 1 57 57 LYS HG3 H 1 1.3970 0.05 . 2 . 33635 . A 771 LYS HG3 . 30201 1 689 . 1 1 57 57 LYS HD2 H 1 1.6780 0.05 . 2 . 33629 . A 771 LYS HD2 . 30201 1 690 . 1 1 57 57 LYS HD3 H 1 1.6780 0.05 . 2 . 33632 . A 771 LYS HD3 . 30201 1 691 . 1 1 57 57 LYS HE2 H 1 2.9370 0.05 . 2 . 33626 . A 771 LYS HE2 . 30201 1 692 . 1 1 57 57 LYS HE3 H 1 2.9370 0.05 . 2 . 33626 . A 771 LYS HE3 . 30201 1 693 . 1 1 57 57 LYS C C 13 175.7882 0.6 . 1 . 17244 . A 771 LYS C . 30201 1 694 . 1 1 57 57 LYS CA C 13 55.8425 0.6 . 1 . 17235 . A 771 LYS CA . 30201 1 695 . 1 1 57 57 LYS CB C 13 35.2038 0.6 . 1 . 17241 . A 771 LYS CB . 30201 1 696 . 1 1 57 57 LYS CG C 13 25.3660 0.6 . 1 . 37037 . A 771 LYS CG . 30201 1 697 . 1 1 57 57 LYS CD C 13 29.3530 0.6 . 1 . 37034 . A 771 LYS CD . 30201 1 698 . 1 1 57 57 LYS CE C 13 42.0340 0.6 . 1 . 37025 . A 771 LYS CE . 30201 1 699 . 1 1 57 57 LYS N N 15 124.5573 0.3 . 1 . 17224 . A 771 LYS N . 30201 1 700 . 1 1 58 58 GLU H H 1 8.1724 0.05 . 1 . 14938 . A 772 GLU H . 30201 1 701 . 1 1 58 58 GLU HA H 1 3.5420 0.05 . 1 . 31826 . A 772 GLU HA . 30201 1 702 . 1 1 58 58 GLU HB2 H 1 2.1800 0.05 . 2 . 31835 . A 772 GLU HB2 . 30201 1 703 . 1 1 58 58 GLU HB3 H 1 1.9810 0.05 . 2 . 31838 . A 772 GLU HB3 . 30201 1 704 . 1 1 58 58 GLU HG2 H 1 2.1356 0.05 . 2 . 33368 . A 772 GLU HG2 . 30201 1 705 . 1 1 58 58 GLU HG3 H 1 2.0662 0.05 . 2 . 33368 . A 772 GLU HG3 . 30201 1 706 . 1 1 58 58 GLU C C 13 175.2068 0.6 . 1 . 15305 . A 772 GLU C . 30201 1 707 . 1 1 58 58 GLU CA C 13 56.8701 0.6 . 1 . 14138 . A 772 GLU CA . 30201 1 708 . 1 1 58 58 GLU CB C 13 27.3877 0.6 . 1 . 13475 . A 772 GLU CB . 30201 1 709 . 1 1 58 58 GLU CG C 13 36.8320 0.6 . 1 . 36710 . A 772 GLU CG . 30201 1 710 . 1 1 58 58 GLU N N 15 116.1902 0.3 . 1 . 14940 . A 772 GLU N . 30201 1 711 . 1 1 59 59 ILE H H 1 9.1788 0.05 . 1 . 21970 . A 773 ILE H . 30201 1 712 . 1 1 59 59 ILE HA H 1 4.0030 0.05 . 1 . 31187 . A 773 ILE HA . 30201 1 713 . 1 1 59 59 ILE HB H 1 1.7690 0.05 . 1 . 32828 . A 773 ILE HB . 30201 1 714 . 1 1 59 59 ILE HG12 H 1 1.3650 0.05 . 2 . 32831 . A 773 ILE HG12 . 30201 1 715 . 1 1 59 59 ILE HG13 H 1 0.3768 0.05 . 2 . 32831 . A 773 ILE HG13 . 30201 1 716 . 1 1 59 59 ILE HG21 H 1 0.2190 0.05 . 1 . 32840 . A 773 ILE HG21 . 30201 1 717 . 1 1 59 59 ILE HG22 H 1 0.2190 0.05 . 1 . 32840 . A 773 ILE HG22 . 30201 1 718 . 1 1 59 59 ILE HG23 H 1 0.2190 0.05 . 1 . 32840 . A 773 ILE HG23 . 30201 1 719 . 1 1 59 59 ILE HD11 H 1 1.0280 0.05 . 1 . 32837 . A 773 ILE HD11 . 30201 1 720 . 1 1 59 59 ILE HD12 H 1 1.0280 0.05 . 1 . 32837 . A 773 ILE HD12 . 30201 1 721 . 1 1 59 59 ILE HD13 H 1 1.0280 0.05 . 1 . 32837 . A 773 ILE HD13 . 30201 1 722 . 1 1 59 59 ILE C C 13 178.1891 0.6 . 1 . 21992 . A 773 ILE C . 30201 1 723 . 1 1 59 59 ILE CA C 13 63.1793 0.6 . 1 . 21983 . A 773 ILE CA . 30201 1 724 . 1 1 59 59 ILE CB C 13 39.4278 0.6 . 1 . 21986 . A 773 ILE CB . 30201 1 725 . 1 1 59 59 ILE CG1 C 13 27.6250 0.6 . 1 . 36164 . A 773 ILE CG1 . 30201 1 726 . 1 1 59 59 ILE CG2 C 13 14.9410 0.6 . 1 . 36167 . A 773 ILE CG2 . 30201 1 727 . 1 1 59 59 ILE CD1 C 13 18.2860 0.6 . 1 . 36170 . A 773 ILE CD1 . 30201 1 728 . 1 1 59 59 ILE N N 15 121.1076 0.3 . 1 . 21972 . A 773 ILE N . 30201 1 729 . 1 1 60 60 LYS H H 1 9.0209 0.05 . 1 . 17078 . A 774 LYS H . 30201 1 730 . 1 1 60 60 LYS HA H 1 4.4180 0.05 . 1 . 32501 . A 774 LYS HA . 30201 1 731 . 1 1 60 60 LYS HB2 H 1 2.1150 0.05 . 2 . 32504 . A 774 LYS HB2 . 30201 1 732 . 1 1 60 60 LYS HB3 H 1 1.8170 0.05 . 2 . 32507 . A 774 LYS HB3 . 30201 1 733 . 1 1 60 60 LYS HG2 H 1 1.3420 0.05 . 2 . 33761 . A 774 LYS HG2 . 30201 1 734 . 1 1 60 60 LYS HG3 H 1 1.6430 0.05 . 2 . 33761 . A 774 LYS HG3 . 30201 1 735 . 1 1 60 60 LYS HD2 H 1 1.7140 0.05 . 2 . 33758 . A 774 LYS HD2 . 30201 1 736 . 1 1 60 60 LYS HD3 H 1 1.7140 0.05 . 2 . 33758 . A 774 LYS HD3 . 30201 1 737 . 1 1 60 60 LYS HE2 H 1 3.0370 0.05 . 2 . 33752 . A 774 LYS HE2 . 30201 1 738 . 1 1 60 60 LYS HE3 H 1 3.0370 0.05 . 2 . 33752 . A 774 LYS HE3 . 30201 1 739 . 1 1 60 60 LYS C C 13 176.5830 0.6 . 1 . 17097 . A 774 LYS C . 30201 1 740 . 1 1 60 60 LYS CA C 13 57.4685 0.6 . 1 . 17103 . A 774 LYS CA . 30201 1 741 . 1 1 60 60 LYS CB C 13 33.3430 0.6 . 1 . 17091 . A 774 LYS CB . 30201 1 742 . 1 1 60 60 LYS CG C 13 25.4980 0.6 . 1 . 37220 . A 774 LYS CG . 30201 1 743 . 1 1 60 60 LYS CD C 13 29.2360 0.6 . 1 . 37217 . A 774 LYS CD . 30201 1 744 . 1 1 60 60 LYS CE C 13 42.2400 0.6 . 1 . 37208 . A 774 LYS CE . 30201 1 745 . 1 1 60 60 LYS N N 15 126.9419 0.3 . 1 . 17080 . A 774 LYS N . 30201 1 746 . 1 1 61 61 THR H H 1 7.4388 0.05 . 1 . 13711 . A 775 THR H . 30201 1 747 . 1 1 61 61 THR HA H 1 4.7700 0.05 . 1 . 32336 . A 775 THR HA . 30201 1 748 . 1 1 61 61 THR HB H 1 4.6790 0.05 . 1 . 32339 . A 775 THR HB . 30201 1 749 . 1 1 61 61 THR HG21 H 1 1.3230 0.05 . 1 . 33689 . A 775 THR HG21 . 30201 1 750 . 1 1 61 61 THR HG22 H 1 1.3230 0.05 . 1 . 33689 . A 775 THR HG22 . 30201 1 751 . 1 1 61 61 THR HG23 H 1 1.3230 0.05 . 1 . 33689 . A 775 THR HG23 . 30201 1 752 . 1 1 61 61 THR C C 13 171.7643 0.6 . 1 . 15533 . A 775 THR C . 30201 1 753 . 1 1 61 61 THR CA C 13 59.8865 0.6 . 1 . 13991 . A 775 THR CA . 30201 1 754 . 1 1 61 61 THR CB C 13 70.3016 0.6 . 1 . 13709 . A 775 THR CB . 30201 1 755 . 1 1 61 61 THR CG2 C 13 21.4800 0.6 . 1 . 37103 . A 775 THR CG2 . 30201 1 756 . 1 1 61 61 THR N N 15 110.0990 0.3 . 1 . 13713 . A 775 THR N . 30201 1 757 . 1 1 62 62 ASN H H 1 8.2870 0.05 . 1 . 13537 . A 776 ASN H . 30201 1 758 . 1 1 62 62 ASN HA H 1 4.7880 0.05 . 1 . 33458 . A 776 ASN HA . 30201 1 759 . 1 1 62 62 ASN HB2 H 1 3.3010 0.05 . 2 . 33473 . A 776 ASN HB2 . 30201 1 760 . 1 1 62 62 ASN HB3 H 1 2.8300 0.05 . 2 . 33476 . A 776 ASN HB3 . 30201 1 761 . 1 1 62 62 ASN HD21 H 1 7.6779 0.05 . 2 . . . A 776 ASN HD21 . 30201 1 762 . 1 1 62 62 ASN HD22 H 1 7.2314 0.05 . 2 . . . A 776 ASN HD22 . 30201 1 763 . 1 1 62 62 ASN C C 13 174.5874 0.6 . 1 . 15389 . A 776 ASN C . 30201 1 764 . 1 1 62 62 ASN CA C 13 54.8007 0.6 . 1 . 14279 . A 776 ASN CA . 30201 1 765 . 1 1 62 62 ASN CB C 13 38.0915 0.6 . 1 . 13559 . A 776 ASN CB . 30201 1 766 . 1 1 62 62 ASN N N 15 114.2966 0.3 . 1 . 13539 . A 776 ASN N . 30201 1 767 . 1 1 62 62 ASN ND2 N 15 111.0696 0.3 . 1 . . . A 776 ASN ND2 . 30201 1 768 . 1 1 63 63 GLU H H 1 7.8050 0.05 . 1 . 13276 . A 777 GLU H . 30201 1 769 . 1 1 63 63 GLU HA H 1 5.0990 0.05 . 1 . 31289 . A 777 GLU HA . 30201 1 770 . 1 1 63 63 GLU HB2 H 1 2.0070 0.05 . 2 . 31310 . A 777 GLU HB2 . 30201 1 771 . 1 1 63 63 GLU HB3 H 1 1.9150 0.05 . 2 . 31313 . A 777 GLU HB3 . 30201 1 772 . 1 1 63 63 GLU HG2 H 1 2.1600 0.05 . 2 . 37406 . A 777 GLU HG2 . 30201 1 773 . 1 1 63 63 GLU HG3 H 1 2.0580 0.05 . 2 . 32915 . A 777 GLU HG3 . 30201 1 774 . 1 1 63 63 GLU C C 13 174.3594 0.6 . 1 . 15404 . A 777 GLU C . 30201 1 775 . 1 1 63 63 GLU CA C 13 55.3820 0.6 . 1 . 14240 . A 777 GLU CA . 30201 1 776 . 1 1 63 63 GLU CB C 13 32.4486 0.6 . 1 . 13313 . A 777 GLU CB . 30201 1 777 . 1 1 63 63 GLU CG C 13 36.7210 0.6 . 1 . 36227 . A 777 GLU CG . 30201 1 778 . 1 1 63 63 GLU N N 15 119.5847 0.3 . 1 . 13278 . A 777 GLU N . 30201 1 779 . 1 1 64 64 TYR H H 1 8.6532 0.05 . 1 . 14986 . A 778 TYR H . 30201 1 780 . 1 1 64 64 TYR HA H 1 4.6780 0.05 . 1 . 32774 . A 778 TYR HA . 30201 1 781 . 1 1 64 64 TYR HB2 H 1 2.9250 0.05 . 2 . 32786 . A 778 TYR HB2 . 30201 1 782 . 1 1 64 64 TYR HB3 H 1 2.3190 0.05 . 2 . 32789 . A 778 TYR HB3 . 30201 1 783 . 1 1 64 64 TYR HD1 H 1 6.8260 0.05 . 3 . . . A 778 TYR HD1 . 30201 1 784 . 1 1 64 64 TYR HE1 H 1 6.7230 0.05 . 3 . . . A 778 TYR HE1 . 30201 1 785 . 1 1 64 64 TYR HE2 H 1 6.7200 0.05 . 3 . . . A 778 TYR HE2 . 30201 1 786 . 1 1 64 64 TYR C C 13 172.4819 0.6 . 1 . 15521 . A 778 TYR C . 30201 1 787 . 1 1 64 64 TYR CA C 13 56.9356 0.6 . 1 . 12596 . A 778 TYR CA . 30201 1 788 . 1 1 64 64 TYR CB C 13 42.8439 0.6 . 1 . 12626 . A 778 TYR CB . 30201 1 789 . 1 1 64 64 TYR CE1 C 13 118.3570 0.6 . 3 . . . A 778 TYR CE1 . 30201 1 790 . 1 1 64 64 TYR CE2 C 13 118.3900 0.6 . 3 . . . A 778 TYR CE2 . 30201 1 791 . 1 1 64 64 TYR N N 15 125.3173 0.3 . 1 . 14988 . A 778 TYR N . 30201 1 792 . 1 1 65 65 VAL H H 1 7.0471 0.05 . 1 . 15790 . A 779 VAL H . 30201 1 793 . 1 1 65 65 VAL HA H 1 3.9900 0.05 . 1 . 32780 . A 779 VAL HA . 30201 1 794 . 1 1 65 65 VAL HB H 1 1.5920 0.05 . 1 . 32795 . A 779 VAL HB . 30201 1 795 . 1 1 65 65 VAL HG11 H 1 0.6710 0.05 . 2 . 32804 . A 779 VAL HG11 . 30201 1 796 . 1 1 65 65 VAL HG12 H 1 0.6710 0.05 . 2 . 32804 . A 779 VAL HG12 . 30201 1 797 . 1 1 65 65 VAL HG13 H 1 0.6710 0.05 . 2 . 32804 . A 779 VAL HG13 . 30201 1 798 . 1 1 65 65 VAL HG21 H 1 0.4970 0.05 . 2 . 32807 . A 779 VAL HG21 . 30201 1 799 . 1 1 65 65 VAL HG22 H 1 0.4970 0.05 . 2 . 32807 . A 779 VAL HG22 . 30201 1 800 . 1 1 65 65 VAL HG23 H 1 0.4970 0.05 . 2 . 32807 . A 779 VAL HG23 . 30201 1 801 . 1 1 65 65 VAL C C 13 174.1796 0.6 . 1 . 15419 . A 779 VAL C . 30201 1 802 . 1 1 65 65 VAL CA C 13 61.6803 0.6 . 1 . 13898 . A 779 VAL CA . 30201 1 803 . 1 1 65 65 VAL CB C 13 32.2736 0.6 . 1 . 12515 . A 779 VAL CB . 30201 1 804 . 1 1 65 65 VAL CG1 C 13 21.5570 0.6 . 2 . 36134 . A 779 VAL CG1 . 30201 1 805 . 1 1 65 65 VAL CG2 C 13 21.5570 0.6 . 2 . 36134 . A 779 VAL CG2 . 30201 1 806 . 1 1 65 65 VAL N N 15 127.3308 0.3 . 1 . 15792 . A 779 VAL N . 30201 1 807 . 1 1 66 66 ILE H H 1 8.2299 0.05 . 1 . 14983 . A 780 ILE H . 30201 1 808 . 1 1 66 66 ILE HA H 1 3.6470 0.05 . 1 . 32681 . A 780 ILE HA . 30201 1 809 . 1 1 66 66 ILE HB H 1 1.6050 0.05 . 1 . 32693 . A 780 ILE HB . 30201 1 810 . 1 1 66 66 ILE HG12 H 1 0.5690 0.05 . 2 . 32699 . A 780 ILE HG12 . 30201 1 811 . 1 1 66 66 ILE HG13 H 1 1.5780 0.05 . 2 . 32702 . A 780 ILE HG13 . 30201 1 812 . 1 1 66 66 ILE HG21 H 1 0.2500 0.05 . 1 . 32702 . A 780 ILE HG21 . 30201 1 813 . 1 1 66 66 ILE HG22 H 1 0.2500 0.05 . 1 . 32702 . A 780 ILE HG22 . 30201 1 814 . 1 1 66 66 ILE HG23 H 1 0.2500 0.05 . 1 . 32702 . A 780 ILE HG23 . 30201 1 815 . 1 1 66 66 ILE HD11 H 1 0.0240 0.05 . 1 . 32705 . A 780 ILE HD11 . 30201 1 816 . 1 1 66 66 ILE HD12 H 1 0.0240 0.05 . 1 . 32705 . A 780 ILE HD12 . 30201 1 817 . 1 1 66 66 ILE HD13 H 1 0.0240 0.05 . 1 . 32705 . A 780 ILE HD13 . 30201 1 818 . 1 1 66 66 ILE C C 13 175.2831 0.6 . 1 . 15299 . A 780 ILE C . 30201 1 819 . 1 1 66 66 ILE CA C 13 61.7089 0.6 . 1 . 12476 . A 780 ILE CA . 30201 1 820 . 1 1 66 66 ILE CB C 13 39.3956 0.6 . 1 . 12509 . A 780 ILE CB . 30201 1 821 . 1 1 66 66 ILE CG1 C 13 28.0240 0.6 . 1 . 35990 . A 780 ILE CG1 . 30201 1 822 . 1 1 66 66 ILE CG2 C 13 15.4530 0.6 . 1 . 36002 . A 780 ILE CG2 . 30201 1 823 . 1 1 66 66 ILE CD1 C 13 14.4350 0.6 . 1 . 37409 . A 780 ILE CD1 . 30201 1 824 . 1 1 66 66 ILE N N 15 127.4001 0.3 . 1 . 14985 . A 780 ILE N . 30201 1 825 . 1 1 67 67 LYS H H 1 8.2554 0.05 . 1 . 16570 . A 781 LYS H . 30201 1 826 . 1 1 67 67 LYS HA H 1 5.0650 0.05 . 1 . 33566 . A 781 LYS HA . 30201 1 827 . 1 1 67 67 LYS HB2 H 1 1.6170 0.05 . 2 . 32201 . A 781 LYS HB2 . 30201 1 828 . 1 1 67 67 LYS HB3 H 1 1.6170 0.05 . 2 . 32201 . A 781 LYS HB3 . 30201 1 829 . 1 1 67 67 LYS HG2 H 1 1.2720 0.05 . 2 . 33596 . A 781 LYS HG2 . 30201 1 830 . 1 1 67 67 LYS HG3 H 1 1.2720 0.05 . 2 . 33596 . A 781 LYS HG3 . 30201 1 831 . 1 1 67 67 LYS HD2 H 1 1.4560 0.05 . 2 . 33590 . A 781 LYS HD2 . 30201 1 832 . 1 1 67 67 LYS HD3 H 1 1.4560 0.05 . 2 . 37412 . A 781 LYS HD3 . 30201 1 833 . 1 1 67 67 LYS HE2 H 1 2.6480 0.05 . 2 . 33578 . A 781 LYS HE2 . 30201 1 834 . 1 1 67 67 LYS HE3 H 1 2.6480 0.05 . 2 . 33578 . A 781 LYS HE3 . 30201 1 835 . 1 1 67 67 LYS C C 13 177.4053 0.6 . 1 . 15110 . A 781 LYS C . 30201 1 836 . 1 1 67 67 LYS CA C 13 54.4848 0.6 . 1 . 12359 . A 781 LYS CA . 30201 1 837 . 1 1 67 67 LYS CB C 13 32.3332 0.6 . 1 . 12383 . A 781 LYS CB . 30201 1 838 . 1 1 67 67 LYS CG C 13 24.6490 0.6 . 1 . 36992 . A 781 LYS CG . 30201 1 839 . 1 1 67 67 LYS CD C 13 29.1170 0.6 . 1 . 36986 . A 781 LYS CD . 30201 1 840 . 1 1 67 67 LYS CE C 13 41.8080 0.6 . 1 . 36965 . A 781 LYS CE . 30201 1 841 . 1 1 67 67 LYS N N 15 129.0712 0.3 . 1 . 16572 . A 781 LYS N . 30201 1 842 . 1 1 68 68 THR H H 1 8.6899 0.05 . 1 . 30447 . A 782 THR H . 30201 1 843 . 1 1 68 68 THR HA H 1 4.1260 0.05 . 1 . . . A 782 THR HA . 30201 1 844 . 1 1 68 68 THR HB H 1 4.3570 0.05 . 1 . . . A 782 THR HB . 30201 1 845 . 1 1 68 68 THR HG21 H 1 1.0640 0.05 . 1 . . . A 782 THR HG21 . 30201 1 846 . 1 1 68 68 THR HG22 H 1 1.0640 0.05 . 1 . . . A 782 THR HG22 . 30201 1 847 . 1 1 68 68 THR HG23 H 1 1.0640 0.05 . 1 . . . A 782 THR HG23 . 30201 1 848 . 1 1 68 68 THR C C 13 171.0654 0.6 . 1 . 30475 . A 782 THR C . 30201 1 849 . 1 1 68 68 THR CA C 13 61.6572 0.6 . 1 . 30463 . A 782 THR CA . 30201 1 850 . 1 1 68 68 THR CB C 13 66.9233 0.6 . 1 . 30460 . A 782 THR CB . 30201 1 851 . 1 1 68 68 THR N N 15 117.1809 0.3 . 1 . 30449 . A 782 THR N . 30201 1 852 . 1 1 69 69 PRO HA H 1 4.3920 0.05 . 1 . 32081 . A 783 PRO HA . 30201 1 853 . 1 1 69 69 PRO HB2 H 1 2.2520 0.05 . 2 . 32087 . A 783 PRO HB2 . 30201 1 854 . 1 1 69 69 PRO HB3 H 1 1.2830 0.05 . 2 . 32099 . A 783 PRO HB3 . 30201 1 855 . 1 1 69 69 PRO HG2 H 1 1.8340 0.05 . 2 . 37418 . A 783 PRO HG2 . 30201 1 856 . 1 1 69 69 PRO HG3 H 1 1.7220 0.05 . 2 . 37415 . A 783 PRO HG3 . 30201 1 857 . 1 1 69 69 PRO HD2 H 1 3.4630 0.05 . 2 . 33509 . A 783 PRO HD2 . 30201 1 858 . 1 1 69 69 PRO HD3 H 1 2.9630 0.05 . 2 . 33518 . A 783 PRO HD3 . 30201 1 859 . 1 1 69 69 PRO C C 13 175.6130 0.6 . 1 . 16550 . A 783 PRO C . 30201 1 860 . 1 1 69 69 PRO CA C 13 62.2151 0.6 . 1 . 15659 . A 783 PRO CA . 30201 1 861 . 1 1 69 69 PRO CB C 13 31.0833 0.6 . 1 . 15023 . A 783 PRO CB . 30201 1 862 . 1 1 69 69 PRO CG C 13 27.9260 0.6 . 1 . 36893 . A 783 PRO CG . 30201 1 863 . 1 1 69 69 PRO CD C 13 49.9510 0.6 . 1 . 36881 . A 783 PRO CD . 30201 1 864 . 1 1 70 70 VAL H H 1 7.9416 0.05 . 1 . 14566 . A 784 VAL H . 30201 1 865 . 1 1 70 70 VAL HA H 1 3.6480 0.05 . 1 . 32858 . A 784 VAL HA . 30201 1 866 . 1 1 70 70 VAL HB H 1 1.7260 0.05 . 1 . 32864 . A 784 VAL HB . 30201 1 867 . 1 1 70 70 VAL HG11 H 1 0.8450 0.05 . 2 . 32876 . A 784 VAL HG11 . 30201 1 868 . 1 1 70 70 VAL HG12 H 1 0.8450 0.05 . 2 . 32876 . A 784 VAL HG12 . 30201 1 869 . 1 1 70 70 VAL HG13 H 1 0.8450 0.05 . 2 . 32876 . A 784 VAL HG13 . 30201 1 870 . 1 1 70 70 VAL HG21 H 1 0.6930 0.05 . 2 . 32879 . A 784 VAL HG21 . 30201 1 871 . 1 1 70 70 VAL HG22 H 1 0.6930 0.05 . 2 . 32879 . A 784 VAL HG22 . 30201 1 872 . 1 1 70 70 VAL HG23 H 1 0.6930 0.05 . 2 . 32879 . A 784 VAL HG23 . 30201 1 873 . 1 1 70 70 VAL C C 13 176.4353 0.6 . 1 . 15179 . A 784 VAL C . 30201 1 874 . 1 1 70 70 VAL CA C 13 62.6775 0.6 . 1 . 13862 . A 784 VAL CA . 30201 1 875 . 1 1 70 70 VAL CB C 13 31.4944 0.6 . 1 . 13346 . A 784 VAL CB . 30201 1 876 . 1 1 70 70 VAL CG1 C 13 21.0000 0.6 . 2 . 36200 . A 784 VAL CG1 . 30201 1 877 . 1 1 70 70 VAL CG2 C 13 21.4800 0.6 . 2 . 36200 . A 784 VAL CG2 . 30201 1 878 . 1 1 70 70 VAL N N 15 118.7240 0.3 . 1 . 14568 . A 784 VAL N . 30201 1 879 . 1 1 71 71 PHE H H 1 8.0916 0.05 . 1 . 18603 . A 785 PHE H . 30201 1 880 . 1 1 71 71 PHE HA H 1 4.6550 0.05 . 1 . 32399 . A 785 PHE HA . 30201 1 881 . 1 1 71 71 PHE HB2 H 1 2.8300 0.05 . 2 . 32402 . A 785 PHE HB2 . 30201 1 882 . 1 1 71 71 PHE HB3 H 1 2.8300 0.05 . 2 . 32402 . A 785 PHE HB3 . 30201 1 883 . 1 1 71 71 PHE HD1 H 1 6.7650 0.05 . 3 . . . A 785 PHE HD1 . 30201 1 884 . 1 1 71 71 PHE HE1 H 1 6.6890 0.05 . 3 . . . A 785 PHE HE1 . 30201 1 885 . 1 1 71 71 PHE C C 13 176.1788 0.6 . 1 . 18610 . A 785 PHE C . 30201 1 886 . 1 1 71 71 PHE CA C 13 58.2571 0.6 . 1 . 18619 . A 785 PHE CA . 30201 1 887 . 1 1 71 71 PHE CB C 13 40.3544 0.6 . 1 . 18616 . A 785 PHE CB . 30201 1 888 . 1 1 71 71 PHE CD1 C 13 132.4325 0.6 . 3 . . . A 785 PHE CD1 . 30201 1 889 . 1 1 71 71 PHE CE1 C 13 132.9040 0.6 . 3 . . . A 785 PHE CE1 . 30201 1 890 . 1 1 71 71 PHE N N 15 126.0735 0.3 . 1 . 18605 . A 785 PHE N . 30201 1 891 . 1 1 72 72 THR H H 1 8.4902 0.05 . 1 . 13585 . A 786 THR H . 30201 1 892 . 1 1 72 72 THR HA H 1 4.3270 0.05 . 1 . 32195 . A 786 THR HA . 30201 1 893 . 1 1 72 72 THR HB H 1 4.4950 0.05 . 1 . 32198 . A 786 THR HB . 30201 1 894 . 1 1 72 72 THR HG21 H 1 1.1520 0.05 . 1 . 33617 . A 786 THR HG21 . 30201 1 895 . 1 1 72 72 THR HG22 H 1 1.1520 0.05 . 1 . 33617 . A 786 THR HG22 . 30201 1 896 . 1 1 72 72 THR HG23 H 1 1.1520 0.05 . 1 . 33617 . A 786 THR HG23 . 30201 1 897 . 1 1 72 72 THR C C 13 174.2155 0.6 . 1 . 15410 . A 786 THR C . 30201 1 898 . 1 1 72 72 THR CA C 13 62.1685 0.6 . 1 . 13589 . A 786 THR CA . 30201 1 899 . 1 1 72 72 THR CB C 13 68.6969 0.6 . 1 . 13586 . A 786 THR CB . 30201 1 900 . 1 1 72 72 THR CG2 C 13 21.8000 0.6 . 1 . 36998 . A 786 THR CG2 . 30201 1 901 . 1 1 72 72 THR N N 15 112.9537 0.3 . 1 . 13587 . A 786 THR N . 30201 1 902 . 1 1 73 73 THR H H 1 7.6521 0.05 . 1 . 14569 . A 787 THR H . 30201 1 903 . 1 1 73 73 THR HA H 1 4.5280 0.05 . 1 . 32258 . A 787 THR HA . 30201 1 904 . 1 1 73 73 THR HB H 1 4.0830 0.05 . 1 . 32261 . A 787 THR HB . 30201 1 905 . 1 1 73 73 THR HG21 H 1 1.2860 0.05 . 1 . 33647 . A 787 THR HG21 . 30201 1 906 . 1 1 73 73 THR HG22 H 1 1.2860 0.05 . 1 . 33647 . A 787 THR HG22 . 30201 1 907 . 1 1 73 73 THR HG23 H 1 1.2860 0.05 . 1 . 33647 . A 787 THR HG23 . 30201 1 908 . 1 1 73 73 THR C C 13 174.4858 0.6 . 1 . 15383 . A 787 THR C . 30201 1 909 . 1 1 73 73 THR CA C 13 61.6994 0.6 . 1 . 13916 . A 787 THR CA . 30201 1 910 . 1 1 73 73 THR CB C 13 70.9768 0.6 . 1 . 13442 . A 787 THR CB . 30201 1 911 . 1 1 73 73 THR CG2 C 13 21.5490 0.6 . 1 . 37055 . A 787 THR CG2 . 30201 1 912 . 1 1 73 73 THR N N 15 116.7779 0.3 . 1 . 14571 . A 787 THR N . 30201 1 913 . 1 1 74 74 GLY H H 1 9.1011 0.05 . 1 . 13483 . A 788 GLY H . 30201 1 914 . 1 1 74 74 GLY HA2 H 1 3.8130 0.05 . 2 . 33806 . A 788 GLY HA2 . 30201 1 915 . 1 1 74 74 GLY HA3 H 1 3.6080 0.05 . 2 . 33809 . A 788 GLY HA3 . 30201 1 916 . 1 1 74 74 GLY C C 13 171.9333 0.6 . 1 . 15527 . A 788 GLY C . 30201 1 917 . 1 1 74 74 GLY CA C 13 44.8000 0.6 . 1 . 14429 . A 788 GLY CA . 30201 1 918 . 1 1 74 74 GLY N N 15 115.1668 0.3 . 1 . 13485 . A 788 GLY N . 30201 1 919 . 1 1 75 75 GLY H H 1 8.6860 0.05 . 1 . 14818 . A 789 GLY H . 30201 1 920 . 1 1 75 75 GLY HA2 H 1 4.2210 0.05 . 2 . 33464 . A 789 GLY HA2 . 30201 1 921 . 1 1 75 75 GLY HA3 H 1 3.6860 0.05 . 2 . 37421 . A 789 GLY HA3 . 30201 1 922 . 1 1 75 75 GLY C C 13 171.4254 0.6 . 1 . 15539 . A 789 GLY C . 30201 1 923 . 1 1 75 75 GLY CA C 13 44.2050 0.6 . 1 . 14438 . A 789 GLY CA . 30201 1 924 . 1 1 75 75 GLY N N 15 107.8498 0.3 . 1 . 14820 . A 789 GLY N . 30201 1 925 . 1 1 76 76 ASP H H 1 8.1213 0.05 . 1 . 14821 . A 790 ASP H . 30201 1 926 . 1 1 76 76 ASP HA H 1 5.6670 0.05 . 1 . 32996 . A 790 ASP HA . 30201 1 927 . 1 1 76 76 ASP HB2 H 1 2.5910 0.05 . 2 . 33017 . A 790 ASP HB2 . 30201 1 928 . 1 1 76 76 ASP HB3 H 1 2.5910 0.05 . 2 . 33017 . A 790 ASP HB3 . 30201 1 929 . 1 1 76 76 ASP C C 13 175.7266 0.6 . 1 . 15260 . A 790 ASP C . 30201 1 930 . 1 1 76 76 ASP CA C 13 53.7763 0.6 . 1 . 14351 . A 790 ASP CA . 30201 1 931 . 1 1 76 76 ASP CB C 13 41.8174 0.6 . 1 . 13301 . A 790 ASP CB . 30201 1 932 . 1 1 76 76 ASP N N 15 119.6992 0.3 . 1 . 14823 . A 790 ASP N . 30201 1 933 . 1 1 77 77 TYR H H 1 9.7361 0.05 . 1 . 15937 . A 791 TYR H . 30201 1 934 . 1 1 77 77 TYR HA H 1 5.5610 0.05 . 1 . 33239 . A 791 TYR HA . 30201 1 935 . 1 1 77 77 TYR HB2 H 1 2.7220 0.05 . 2 . 33269 . A 791 TYR HB2 . 30201 1 936 . 1 1 77 77 TYR HB3 H 1 2.7220 0.05 . 2 . 33269 . A 791 TYR HB3 . 30201 1 937 . 1 1 77 77 TYR HD1 H 1 6.7040 0.05 . 3 . . . A 791 TYR HD1 . 30201 1 938 . 1 1 77 77 TYR HD2 H 1 6.9290 0.05 . 3 . . . A 791 TYR HD2 . 30201 1 939 . 1 1 77 77 TYR HE1 H 1 6.3390 0.05 . 3 . . . A 791 TYR HE1 . 30201 1 940 . 1 1 77 77 TYR HE2 H 1 6.8200 0.05 . 3 . . . A 791 TYR HE2 . 30201 1 941 . 1 1 77 77 TYR C C 13 175.2211 0.6 . 1 . 15314 . A 791 TYR C . 30201 1 942 . 1 1 77 77 TYR CA C 13 56.3764 0.6 . 1 . 12758 . A 791 TYR CA . 30201 1 943 . 1 1 77 77 TYR CB C 13 41.6949 0.6 . 1 . 12791 . A 791 TYR CB . 30201 1 944 . 1 1 77 77 TYR CD1 C 13 129.9600 0.6 . 3 . . . A 791 TYR CD1 . 30201 1 945 . 1 1 77 77 TYR CE1 C 13 117.9320 0.6 . 3 . . . A 791 TYR CE1 . 30201 1 946 . 1 1 77 77 TYR CE2 C 13 117.7700 0.6 . 3 . . . A 791 TYR CE2 . 30201 1 947 . 1 1 77 77 TYR N N 15 123.9060 0.3 . 1 . 15939 . A 791 TYR N . 30201 1 948 . 1 1 78 78 ILE H H 1 9.3500 0.05 . 1 . 14689 . A 792 ILE H . 30201 1 949 . 1 1 78 78 ILE HA H 1 5.0800 0.05 . 1 . 32663 . A 792 ILE HA . 30201 1 950 . 1 1 78 78 ILE HB H 1 1.7160 0.05 . 1 . 32666 . A 792 ILE HB . 30201 1 951 . 1 1 78 78 ILE HG12 H 1 1.4380 0.05 . 2 . 32669 . A 792 ILE HG12 . 30201 1 952 . 1 1 78 78 ILE HG13 H 1 1.0470 0.05 . 2 . 37424 . A 792 ILE HG13 . 30201 1 953 . 1 1 78 78 ILE HG21 H 1 0.8600 0.05 . 1 . 32672 . A 792 ILE HG21 . 30201 1 954 . 1 1 78 78 ILE HG22 H 1 0.8600 0.05 . 1 . 32672 . A 792 ILE HG22 . 30201 1 955 . 1 1 78 78 ILE HG23 H 1 0.8600 0.05 . 1 . 32672 . A 792 ILE HG23 . 30201 1 956 . 1 1 78 78 ILE HD11 H 1 0.8320 0.05 . 1 . 32672 . A 792 ILE HD11 . 30201 1 957 . 1 1 78 78 ILE HD12 H 1 0.8320 0.05 . 1 . 32672 . A 792 ILE HD12 . 30201 1 958 . 1 1 78 78 ILE HD13 H 1 0.8320 0.05 . 1 . 32672 . A 792 ILE HD13 . 30201 1 959 . 1 1 78 78 ILE C C 13 174.6486 0.6 . 1 . 15356 . A 792 ILE C . 30201 1 960 . 1 1 78 78 ILE CA C 13 59.3212 0.6 . 1 . 13034 . A 792 ILE CA . 30201 1 961 . 1 1 78 78 ILE CB C 13 41.7241 0.6 . 1 . 13073 . A 792 ILE CB . 30201 1 962 . 1 1 78 78 ILE CG1 C 13 27.4370 0.6 . 1 . 35954 . A 792 ILE CG1 . 30201 1 963 . 1 1 78 78 ILE CG2 C 13 18.1280 0.6 . 1 . 35960 . A 792 ILE CG2 . 30201 1 964 . 1 1 78 78 ILE CD1 C 13 12.7690 0.6 . 1 . 35963 . A 792 ILE CD1 . 30201 1 965 . 1 1 78 78 ILE N N 15 121.7559 0.3 . 1 . 14691 . A 792 ILE N . 30201 1 966 . 1 1 79 79 LEU H H 1 9.2157 0.05 . 1 . 14851 . A 793 LEU H . 30201 1 967 . 1 1 79 79 LEU HA H 1 5.5510 0.05 . 1 . 33386 . A 793 LEU HA . 30201 1 968 . 1 1 79 79 LEU HB2 H 1 1.8410 0.05 . 2 . 31892 . A 793 LEU HB2 . 30201 1 969 . 1 1 79 79 LEU HB3 H 1 1.3980 0.05 . 2 . 31922 . A 793 LEU HB3 . 30201 1 970 . 1 1 79 79 LEU HG H 1 1.7220 0.05 . 1 . 37427 . A 793 LEU HG . 30201 1 971 . 1 1 79 79 LEU HD11 H 1 0.6390 0.05 . 2 . 33404 . A 793 LEU HD11 . 30201 1 972 . 1 1 79 79 LEU HD12 H 1 0.6390 0.05 . 2 . 33404 . A 793 LEU HD12 . 30201 1 973 . 1 1 79 79 LEU HD13 H 1 0.6390 0.05 . 2 . 33404 . A 793 LEU HD13 . 30201 1 974 . 1 1 79 79 LEU HD21 H 1 0.6390 0.05 . 2 . 33404 . A 793 LEU HD21 . 30201 1 975 . 1 1 79 79 LEU HD22 H 1 0.6390 0.05 . 2 . 33404 . A 793 LEU HD22 . 30201 1 976 . 1 1 79 79 LEU HD23 H 1 0.6390 0.05 . 2 . 33404 . A 793 LEU HD23 . 30201 1 977 . 1 1 79 79 LEU C C 13 174.7894 0.6 . 1 . 15338 . A 793 LEU C . 30201 1 978 . 1 1 79 79 LEU CA C 13 54.2558 0.6 . 1 . 22129 . A 793 LEU CA . 30201 1 979 . 1 1 79 79 LEU CB C 13 44.6865 0.6 . 1 . 22151 . A 793 LEU CB . 30201 1 980 . 1 1 79 79 LEU CG C 13 28.1220 0.6 . 1 . 37436 . A 793 LEU CG . 30201 1 981 . 1 1 79 79 LEU CD1 C 13 26.4360 0.6 . 2 . 37433 . A 793 LEU CD1 . 30201 1 982 . 1 1 79 79 LEU CD2 C 13 24.8100 0.6 . 2 . 36761 . A 793 LEU CD2 . 30201 1 983 . 1 1 79 79 LEU N N 15 129.6834 0.3 . 1 . 14853 . A 793 LEU N . 30201 1 984 . 1 1 80 80 SER H H 1 9.1829 0.05 . 1 . 22059 . A 794 SER H . 30201 1 985 . 1 1 80 80 SER HA H 1 5.2440 0.05 . 1 . 31247 . A 794 SER HA . 30201 1 986 . 1 1 80 80 SER HB2 H 1 3.6490 0.05 . 2 . 31256 . A 794 SER HB2 . 30201 1 987 . 1 1 80 80 SER HB3 H 1 3.4690 0.05 . 2 . 31241 . A 794 SER HB3 . 30201 1 988 . 1 1 80 80 SER C C 13 175.0014 0.6 . 1 . 22262 . A 794 SER C . 30201 1 989 . 1 1 80 80 SER CA C 13 55.0946 0.6 . 1 . 22174 . A 794 SER CA . 30201 1 990 . 1 1 80 80 SER CB C 13 65.5600 0.6 . 1 . 22220 . A 794 SER CB . 30201 1 991 . 1 1 80 80 SER N N 15 120.5481 0.3 . 1 . 22061 . A 794 SER N . 30201 1 992 . 1 1 81 81 LEU H H 1 9.3964 0.05 . 1 . 15862 . A 795 LEU H . 30201 1 993 . 1 1 81 81 LEU HA H 1 4.3320 0.05 . 1 . 31472 . A 795 LEU HA . 30201 1 994 . 1 1 81 81 LEU HB2 H 1 1.9080 0.05 . 2 . 31490 . A 795 LEU HB2 . 30201 1 995 . 1 1 81 81 LEU HB3 H 1 1.2290 0.05 . 2 . 31496 . A 795 LEU HB3 . 30201 1 996 . 1 1 81 81 LEU HG H 1 1.7080 0.05 . 1 . 33086 . A 795 LEU HG . 30201 1 997 . 1 1 81 81 LEU HD11 H 1 0.7388 0.05 . 2 . 33092 . A 795 LEU HD11 . 30201 1 998 . 1 1 81 81 LEU HD12 H 1 0.7388 0.05 . 2 . 33092 . A 795 LEU HD12 . 30201 1 999 . 1 1 81 81 LEU HD13 H 1 0.7388 0.05 . 2 . 33092 . A 795 LEU HD13 . 30201 1 1000 . 1 1 81 81 LEU HD21 H 1 0.7038 0.05 . 2 . 33092 . A 795 LEU HD21 . 30201 1 1001 . 1 1 81 81 LEU HD22 H 1 0.7038 0.05 . 2 . 33092 . A 795 LEU HD22 . 30201 1 1002 . 1 1 81 81 LEU HD23 H 1 0.7038 0.05 . 2 . 33092 . A 795 LEU HD23 . 30201 1 1003 . 1 1 81 81 LEU C C 13 175.9871 0.6 . 1 . 15212 . A 795 LEU C . 30201 1 1004 . 1 1 81 81 LEU CA C 13 55.4345 0.6 . 1 . 14207 . A 795 LEU CA . 30201 1 1005 . 1 1 81 81 LEU CB C 13 42.3358 0.6 . 1 . 12575 . A 795 LEU CB . 30201 1 1006 . 1 1 81 81 LEU CG C 13 26.0600 0.6 . 1 . 36464 . A 795 LEU CG . 30201 1 1007 . 1 1 81 81 LEU CD1 C 13 26.0600 0.6 . 2 . 36464 . A 795 LEU CD1 . 30201 1 1008 . 1 1 81 81 LEU CD2 C 13 22.6970 0.6 . 2 . 36413 . A 795 LEU CD2 . 30201 1 1009 . 1 1 81 81 LEU N N 15 126.3774 0.3 . 1 . 15864 . A 795 LEU N . 30201 1 1010 . 1 1 82 82 VAL H H 1 9.0189 0.05 . 1 . 14677 . A 796 VAL H . 30201 1 1011 . 1 1 82 82 VAL HA H 1 4.2930 0.05 . 1 . 33725 . A 796 VAL HA . 30201 1 1012 . 1 1 82 82 VAL HB H 1 1.6400 0.05 . 1 . 33728 . A 796 VAL HB . 30201 1 1013 . 1 1 82 82 VAL HG11 H 1 0.9627 0.05 . 2 . 33731 . A 796 VAL HG11 . 30201 1 1014 . 1 1 82 82 VAL HG12 H 1 0.9627 0.05 . 2 . 33731 . A 796 VAL HG12 . 30201 1 1015 . 1 1 82 82 VAL HG13 H 1 0.9627 0.05 . 2 . 33731 . A 796 VAL HG13 . 30201 1 1016 . 1 1 82 82 VAL HG21 H 1 0.9017 0.05 . 2 . 33731 . A 796 VAL HG21 . 30201 1 1017 . 1 1 82 82 VAL HG22 H 1 0.9017 0.05 . 2 . 33731 . A 796 VAL HG22 . 30201 1 1018 . 1 1 82 82 VAL HG23 H 1 0.9017 0.05 . 2 . 33731 . A 796 VAL HG23 . 30201 1 1019 . 1 1 82 82 VAL C C 13 177.1393 0.6 . 1 . 15122 . A 796 VAL C . 30201 1 1020 . 1 1 82 82 VAL CA C 13 64.4853 0.6 . 1 . 12812 . A 796 VAL CA . 30201 1 1021 . 1 1 82 82 VAL CB C 13 33.4750 0.6 . 1 . 12842 . A 796 VAL CB . 30201 1 1022 . 1 1 82 82 VAL CG1 C 13 20.9690 0.6 . 2 . 37163 . A 796 VAL CG1 . 30201 1 1023 . 1 1 82 82 VAL CG2 C 13 20.0923 0.6 . 2 . 37163 . A 796 VAL CG2 . 30201 1 1024 . 1 1 82 82 VAL N N 15 123.7189 0.3 . 1 . 14679 . A 796 VAL N . 30201 1 1025 . 1 1 83 83 SER H H 1 8.1680 0.05 . 1 . 14965 . A 797 SER H . 30201 1 1026 . 1 1 83 83 SER HA H 1 5.3960 0.05 . 1 . 32162 . A 797 SER HA . 30201 1 1027 . 1 1 83 83 SER HB2 H 1 3.9390 0.05 . 2 . 32165 . A 797 SER HB2 . 30201 1 1028 . 1 1 83 83 SER HB3 H 1 3.7110 0.05 . 2 . 32168 . A 797 SER HB3 . 30201 1 1029 . 1 1 83 83 SER C C 13 171.2600 0.6 . 1 . 15548 . A 797 SER C . 30201 1 1030 . 1 1 83 83 SER CA C 13 57.6346 0.6 . 1 . 13643 . A 797 SER CA . 30201 1 1031 . 1 1 83 83 SER CB C 13 66.0657 0.6 . 1 . 13640 . A 797 SER CB . 30201 1 1032 . 1 1 83 83 SER N N 15 112.1750 0.3 . 1 . 14967 . A 797 SER N . 30201 1 1033 . 1 1 84 84 ILE H H 1 8.7166 0.05 . 1 . 14650 . A 798 ILE H . 30201 1 1034 . 1 1 84 84 ILE HA H 1 5.3370 0.05 . 1 . 32717 . A 798 ILE HA . 30201 1 1035 . 1 1 84 84 ILE HB H 1 1.6060 0.05 . 1 . 32720 . A 798 ILE HB . 30201 1 1036 . 1 1 84 84 ILE HG12 H 1 1.1230 0.05 . 2 . 32723 . A 798 ILE HG12 . 30201 1 1037 . 1 1 84 84 ILE HG13 H 1 1.5334 0.05 . 2 . 32723 . A 798 ILE HG13 . 30201 1 1038 . 1 1 84 84 ILE HG21 H 1 0.7710 0.05 . 1 . 32726 . A 798 ILE HG21 . 30201 1 1039 . 1 1 84 84 ILE HG22 H 1 0.7710 0.05 . 1 . 32726 . A 798 ILE HG22 . 30201 1 1040 . 1 1 84 84 ILE HG23 H 1 0.7710 0.05 . 1 . 32726 . A 798 ILE HG23 . 30201 1 1041 . 1 1 84 84 ILE HD11 H 1 0.8030 0.05 . 1 . 32726 . A 798 ILE HD11 . 30201 1 1042 . 1 1 84 84 ILE HD12 H 1 0.8030 0.05 . 1 . 32726 . A 798 ILE HD12 . 30201 1 1043 . 1 1 84 84 ILE HD13 H 1 0.8030 0.05 . 1 . 32726 . A 798 ILE HD13 . 30201 1 1044 . 1 1 84 84 ILE C C 13 170.1040 0.6 . 1 . 15566 . A 798 ILE C . 30201 1 1045 . 1 1 84 84 ILE CA C 13 57.8405 0.6 . 1 . 13388 . A 798 ILE CA . 30201 1 1046 . 1 1 84 84 ILE CB C 13 42.5376 0.6 . 1 . 13397 . A 798 ILE CB . 30201 1 1047 . 1 1 84 84 ILE CG1 C 13 29.2190 0.6 . 1 . 36026 . A 798 ILE CG1 . 30201 1 1048 . 1 1 84 84 ILE CG2 C 13 15.8500 0.6 . 1 . 36029 . A 798 ILE CG2 . 30201 1 1049 . 1 1 84 84 ILE CD1 C 13 16.4180 0.6 . 1 . 36029 . A 798 ILE CD1 . 30201 1 1050 . 1 1 84 84 ILE N N 15 117.3311 0.3 . 1 . 14652 . A 798 ILE N . 30201 1 1051 . 1 1 85 85 LYS H H 1 8.7723 0.05 . 1 . 14830 . A 799 LYS H . 30201 1 1052 . 1 1 85 85 LYS HA H 1 5.7800 0.05 . 1 . 32882 . A 799 LYS HA . 30201 1 1053 . 1 1 85 85 LYS HB2 H 1 1.7750 0.05 . 2 . 37442 . A 799 LYS HB2 . 30201 1 1054 . 1 1 85 85 LYS HB3 H 1 1.6990 0.05 . 2 . 37439 . A 799 LYS HB3 . 30201 1 1055 . 1 1 85 85 LYS HG2 H 1 1.2560 0.05 . 2 . 32870 . A 799 LYS HG2 . 30201 1 1056 . 1 1 85 85 LYS HG3 H 1 1.6759 0.05 . 2 . 32870 . A 799 LYS HG3 . 30201 1 1057 . 1 1 85 85 LYS HD2 H 1 1.6610 0.05 . 2 . 32867 . A 799 LYS HD2 . 30201 1 1058 . 1 1 85 85 LYS HD3 H 1 1.5990 0.05 . 2 . 32867 . A 799 LYS HD3 . 30201 1 1059 . 1 1 85 85 LYS HE2 H 1 2.8760 0.05 . 2 . 32861 . A 799 LYS HE2 . 30201 1 1060 . 1 1 85 85 LYS HE3 H 1 2.9170 0.05 . 2 . 32861 . A 799 LYS HE3 . 30201 1 1061 . 1 1 85 85 LYS C C 13 176.3011 0.6 . 1 . 15182 . A 799 LYS C . 30201 1 1062 . 1 1 85 85 LYS CA C 13 53.7711 0.6 . 1 . 14318 . A 799 LYS CA . 30201 1 1063 . 1 1 85 85 LYS CB C 13 37.1263 0.6 . 1 . 12413 . A 799 LYS CB . 30201 1 1064 . 1 1 85 85 LYS CG C 13 24.1930 0.6 . 1 . 36197 . A 799 LYS CG . 30201 1 1065 . 1 1 85 85 LYS CD C 13 29.7860 0.6 . 1 . 36194 . A 799 LYS CD . 30201 1 1066 . 1 1 85 85 LYS CE C 13 41.7790 0.6 . 1 . 36188 . A 799 LYS CE . 30201 1 1067 . 1 1 85 85 LYS N N 15 128.2501 0.3 . 1 . 14832 . A 799 LYS N . 30201 1 1068 . 1 1 86 86 ASP H H 1 8.1624 0.05 . 1 . 14920 . A 800 ASP H . 30201 1 1069 . 1 1 86 86 ASP HA H 1 5.2350 0.05 . 1 . 33716 . A 800 ASP HA . 30201 1 1070 . 1 1 86 86 ASP HB2 H 1 3.6710 0.05 . 2 . 33719 . A 800 ASP HB2 . 30201 1 1071 . 1 1 86 86 ASP HB3 H 1 2.5030 0.05 . 2 . 33722 . A 800 ASP HB3 . 30201 1 1072 . 1 1 86 86 ASP C C 13 178.0888 0.6 . 1 . 15089 . A 800 ASP C . 30201 1 1073 . 1 1 86 86 ASP CA C 13 52.0331 0.6 . 1 . 14369 . A 800 ASP CA . 30201 1 1074 . 1 1 86 86 ASP CB C 13 42.4909 0.6 . 1 . 12572 . A 800 ASP CB . 30201 1 1075 . 1 1 86 86 ASP N N 15 125.9860 0.3 . 1 . 14922 . A 800 ASP N . 30201 1 1076 . 1 1 87 87 SER H H 1 8.1997 0.05 . 1 . 14779 . A 801 SER H . 30201 1 1077 . 1 1 87 87 SER HA H 1 4.1840 0.05 . 1 . 32381 . A 801 SER HA . 30201 1 1078 . 1 1 87 87 SER HB2 H 1 3.9500 0.05 . 2 . 32384 . A 801 SER HB2 . 30201 1 1079 . 1 1 87 87 SER HB3 H 1 3.7340 0.05 . 2 . 32387 . A 801 SER HB3 . 30201 1 1080 . 1 1 87 87 SER C C 13 176.0412 0.6 . 1 . 15233 . A 801 SER C . 30201 1 1081 . 1 1 87 87 SER CA C 13 60.4984 0.6 . 1 . 13607 . A 801 SER CA . 30201 1 1082 . 1 1 87 87 SER CB C 13 62.7337 0.6 . 1 . 13604 . A 801 SER CB . 30201 1 1083 . 1 1 87 87 SER N N 15 112.4524 0.3 . 1 . 14781 . A 801 SER N . 30201 1 1084 . 1 1 88 88 THR H H 1 8.3857 0.05 . 1 . 14743 . A 802 THR H . 30201 1 1085 . 1 1 88 88 THR HA H 1 4.4830 0.05 . 1 . 32522 . A 802 THR HA . 30201 1 1086 . 1 1 88 88 THR HB H 1 4.4130 0.05 . 1 . 32522 . A 802 THR HB . 30201 1 1087 . 1 1 88 88 THR HG21 H 1 1.2380 0.05 . 1 . 33794 . A 802 THR HG21 . 30201 1 1088 . 1 1 88 88 THR HG22 H 1 1.2380 0.05 . 1 . 33794 . A 802 THR HG22 . 30201 1 1089 . 1 1 88 88 THR HG23 H 1 1.2380 0.05 . 1 . 33794 . A 802 THR HG23 . 30201 1 1090 . 1 1 88 88 THR C C 13 175.9510 0.6 . 1 . 15230 . A 802 THR C . 30201 1 1091 . 1 1 88 88 THR CA C 13 62.6811 0.6 . 1 . 13568 . A 802 THR CA . 30201 1 1092 . 1 1 88 88 THR CB C 13 70.5097 0.6 . 1 . 13562 . A 802 THR CB . 30201 1 1093 . 1 1 88 88 THR CG2 C 13 21.9330 0.6 . 1 . 37268 . A 802 THR CG2 . 30201 1 1094 . 1 1 88 88 THR N N 15 113.4548 0.3 . 1 . 14745 . A 802 THR N . 30201 1 1095 . 1 1 89 89 GLY H H 1 8.1017 0.05 . 1 . 15235 . A 803 GLY H . 30201 1 1096 . 1 1 89 89 GLY HA2 H 1 4.4100 0.05 . 2 . 33254 . A 803 GLY HA2 . 30201 1 1097 . 1 1 89 89 GLY HA3 H 1 3.5280 0.05 . 2 . 33260 . A 803 GLY HA3 . 30201 1 1098 . 1 1 89 89 GLY C C 13 173.0802 0.6 . 1 . 15500 . A 803 GLY C . 30201 1 1099 . 1 1 89 89 GLY CA C 13 45.0255 0.6 . 1 . 14423 . A 803 GLY CA . 30201 1 1100 . 1 1 89 89 GLY N N 15 109.2726 0.3 . 1 . 15237 . A 803 GLY N . 30201 1 1101 . 1 1 90 90 CYS H H 1 7.6940 0.05 . 1 . 14803 . A 804 CYS H . 30201 1 1102 . 1 1 90 90 CYS HA H 1 4.2920 0.05 . 1 . 32735 . A 804 CYS HA . 30201 1 1103 . 1 1 90 90 CYS HB2 H 1 2.8100 0.05 . 2 . 31103 . A 804 CYS HB2 . 30201 1 1104 . 1 1 90 90 CYS HB3 H 1 2.7720 0.05 . 2 . 31106 . A 804 CYS HB3 . 30201 1 1105 . 1 1 90 90 CYS C C 13 173.0556 0.6 . 1 . 15491 . A 804 CYS C . 30201 1 1106 . 1 1 90 90 CYS CA C 13 59.2474 0.6 . 1 . 13037 . A 804 CYS CA . 30201 1 1107 . 1 1 90 90 CYS CB C 13 27.2793 0.6 . 1 . 13097 . A 804 CYS CB . 30201 1 1108 . 1 1 90 90 CYS N N 15 121.7955 0.3 . 1 . 14805 . A 804 CYS N . 30201 1 1109 . 1 1 91 91 VAL H H 1 8.4228 0.05 . 1 . 13936 . A 805 VAL H . 30201 1 1110 . 1 1 91 91 VAL HA H 1 4.7450 0.05 . 1 . 32678 . A 805 VAL HA . 30201 1 1111 . 1 1 91 91 VAL HB H 1 1.9390 0.05 . 1 . 32687 . A 805 VAL HB . 30201 1 1112 . 1 1 91 91 VAL HG11 H 1 0.9410 0.05 . 2 . 32696 . A 805 VAL HG11 . 30201 1 1113 . 1 1 91 91 VAL HG12 H 1 0.9410 0.05 . 2 . 32696 . A 805 VAL HG12 . 30201 1 1114 . 1 1 91 91 VAL HG13 H 1 0.9410 0.05 . 2 . 32696 . A 805 VAL HG13 . 30201 1 1115 . 1 1 91 91 VAL HG21 H 1 0.8450 0.05 . 2 . 37445 . A 805 VAL HG21 . 30201 1 1116 . 1 1 91 91 VAL HG22 H 1 0.8450 0.05 . 2 . 37445 . A 805 VAL HG22 . 30201 1 1117 . 1 1 91 91 VAL HG23 H 1 0.8450 0.05 . 2 . 37445 . A 805 VAL HG23 . 30201 1 1118 . 1 1 91 91 VAL C C 13 175.7119 0.6 . 1 . 15245 . A 805 VAL C . 30201 1 1119 . 1 1 91 91 VAL CA C 13 61.0706 0.6 . 1 . 12422 . A 805 VAL CA . 30201 1 1120 . 1 1 91 91 VAL CB C 13 33.3106 0.6 . 1 . 12458 . A 805 VAL CB . 30201 1 1121 . 1 1 91 91 VAL CG1 C 13 21.0040 0.6 . 2 . 35993 . A 805 VAL CG1 . 30201 1 1122 . 1 1 91 91 VAL CG2 C 13 20.0590 0.6 . 2 . 35993 . A 805 VAL CG2 . 30201 1 1123 . 1 1 91 91 VAL N N 15 128.0205 0.3 . 1 . 13938 . A 805 VAL N . 30201 1 1124 . 1 1 92 92 VAL H H 1 9.1498 0.05 . 1 . 14581 . A 806 VAL H . 30201 1 1125 . 1 1 92 92 VAL HA H 1 4.2910 0.05 . 1 . 33656 . A 806 VAL HA . 30201 1 1126 . 1 1 92 92 VAL HB H 1 1.9370 0.05 . 1 . 33671 . A 806 VAL HB . 30201 1 1127 . 1 1 92 92 VAL HG11 H 1 1.0020 0.05 . 2 . 33674 . A 806 VAL HG11 . 30201 1 1128 . 1 1 92 92 VAL HG12 H 1 1.0020 0.05 . 2 . 33674 . A 806 VAL HG12 . 30201 1 1129 . 1 1 92 92 VAL HG13 H 1 1.0020 0.05 . 2 . 33674 . A 806 VAL HG13 . 30201 1 1130 . 1 1 92 92 VAL HG21 H 1 0.9020 0.05 . 2 . 37448 . A 806 VAL HG21 . 30201 1 1131 . 1 1 92 92 VAL HG22 H 1 0.9020 0.05 . 2 . 37448 . A 806 VAL HG22 . 30201 1 1132 . 1 1 92 92 VAL HG23 H 1 0.9020 0.05 . 2 . 37448 . A 806 VAL HG23 . 30201 1 1133 . 1 1 92 92 VAL C C 13 175.7333 0.6 . 1 . 15239 . A 806 VAL C . 30201 1 1134 . 1 1 92 92 VAL CA C 13 61.5000 0.6 . 1 . 13931 . A 806 VAL CA . 30201 1 1135 . 1 1 92 92 VAL CB C 13 35.1916 0.6 . 1 . 12374 . A 806 VAL CB . 30201 1 1136 . 1 1 92 92 VAL CG1 C 13 22.0580 0.6 . 2 . 37451 . A 806 VAL CG1 . 30201 1 1137 . 1 1 92 92 VAL CG2 C 13 20.9000 0.6 . 2 . 37085 . A 806 VAL CG2 . 30201 1 1138 . 1 1 92 92 VAL N N 15 129.2666 0.3 . 1 . 14583 . A 806 VAL N . 30201 1 1139 . 1 1 93 93 GLY H H 1 8.7183 0.05 . 1 . 13513 . A 807 GLY H . 30201 1 1140 . 1 1 93 93 GLY HA2 H 1 4.3370 0.05 . 2 . 32852 . A 807 GLY HA2 . 30201 1 1141 . 1 1 93 93 GLY HA3 H 1 3.6770 0.05 . 2 . 32855 . A 807 GLY HA3 . 30201 1 1142 . 1 1 93 93 GLY C C 13 173.8170 0.6 . 1 . 15461 . A 807 GLY C . 30201 1 1143 . 1 1 93 93 GLY CA C 13 45.2367 0.6 . 1 . 13514 . A 807 GLY CA . 30201 1 1144 . 1 1 93 93 GLY N N 15 114.7013 0.3 . 1 . 13515 . A 807 GLY N . 30201 1 1145 . 1 1 94 94 LEU H H 1 7.9052 0.05 . 1 . 14800 . A 808 LEU H . 30201 1 1146 . 1 1 94 94 LEU HA H 1 4.5370 0.05 . 1 . 32039 . A 808 LEU HA . 30201 1 1147 . 1 1 94 94 LEU HB2 H 1 1.4900 0.05 . 2 . 32045 . A 808 LEU HB2 . 30201 1 1148 . 1 1 94 94 LEU HB3 H 1 1.2480 0.05 . 2 . 32048 . A 808 LEU HB3 . 30201 1 1149 . 1 1 94 94 LEU HG H 1 1.6700 0.05 . 1 . . . A 808 LEU HG . 30201 1 1150 . 1 1 94 94 LEU HD11 H 1 0.7320 0.05 . 2 . 33491 . A 808 LEU HD11 . 30201 1 1151 . 1 1 94 94 LEU HD12 H 1 0.7320 0.05 . 2 . 33491 . A 808 LEU HD12 . 30201 1 1152 . 1 1 94 94 LEU HD13 H 1 0.7320 0.05 . 2 . 33491 . A 808 LEU HD13 . 30201 1 1153 . 1 1 94 94 LEU HD21 H 1 1.0090 0.05 . 2 . 33494 . A 808 LEU HD21 . 30201 1 1154 . 1 1 94 94 LEU HD22 H 1 1.0090 0.05 . 2 . 33494 . A 808 LEU HD22 . 30201 1 1155 . 1 1 94 94 LEU HD23 H 1 1.0090 0.05 . 2 . 33494 . A 808 LEU HD23 . 30201 1 1156 . 1 1 94 94 LEU C C 13 175.4899 0.6 . 1 . 15278 . A 808 LEU C . 30201 1 1157 . 1 1 94 94 LEU CA C 13 54.7081 0.6 . 1 . 14258 . A 808 LEU CA . 30201 1 1158 . 1 1 94 94 LEU CB C 13 44.2324 0.6 . 1 . 12569 . A 808 LEU CB . 30201 1 1159 . 1 1 94 94 LEU CG C 13 27.0100 0.6 . 1 . 36863 . A 808 LEU CG . 30201 1 1160 . 1 1 94 94 LEU CD1 C 13 27.7300 0.6 . 2 . 36863 . A 808 LEU CD1 . 30201 1 1161 . 1 1 94 94 LEU CD2 C 13 23.6260 0.6 . 2 . 36866 . A 808 LEU CD2 . 30201 1 1162 . 1 1 94 94 LEU N N 15 126.0405 0.3 . 1 . 14802 . A 808 LEU N . 30201 1 1163 . 1 1 95 95 SER H H 1 8.7854 0.05 . 1 . 13318 . A 809 SER H . 30201 1 1164 . 1 1 95 95 SER HA H 1 4.7670 0.05 . 1 . 31373 . A 809 SER HA . 30201 1 1165 . 1 1 95 95 SER HB2 H 1 3.8670 0.05 . 2 . 31376 . A 809 SER HB2 . 30201 1 1166 . 1 1 95 95 SER HB3 H 1 3.7580 0.05 . 2 . 31379 . A 809 SER HB3 . 30201 1 1167 . 1 1 95 95 SER C C 13 174.1203 0.6 . 1 . 22290 . A 809 SER C . 30201 1 1168 . 1 1 95 95 SER CA C 13 56.4660 0.6 . 1 . 13319 . A 809 SER CA . 30201 1 1169 . 1 1 95 95 SER CB C 13 62.8801 0.6 . 1 . 22313 . A 809 SER CB . 30201 1 1170 . 1 1 95 95 SER N N 15 119.0411 0.3 . 1 . 13320 . A 809 SER N . 30201 1 1171 . 1 1 96 96 GLN H H 1 8.8253 0.05 . 1 . 15820 . A 810 GLN H . 30201 1 1172 . 1 1 96 96 GLN HA H 1 4.8140 0.05 . 1 . . . A 810 GLN HA . 30201 1 1173 . 1 1 96 96 GLN HB2 H 1 2.7400 0.05 . 2 . . . A 810 GLN HB2 . 30201 1 1174 . 1 1 96 96 GLN HB3 H 1 1.6900 0.05 . 2 . . . A 810 GLN HB3 . 30201 1 1175 . 1 1 96 96 GLN HG2 H 1 2.9500 0.05 . 2 . . . A 810 GLN HG2 . 30201 1 1176 . 1 1 96 96 GLN HG3 H 1 2.3400 0.05 . 2 . . . A 810 GLN HG3 . 30201 1 1177 . 1 1 96 96 GLN HE21 H 1 7.4726 0.05 . 2 . . . A 810 GLN HE21 . 30201 1 1178 . 1 1 96 96 GLN HE22 H 1 7.0195 0.05 . 2 . . . A 810 GLN HE22 . 30201 1 1179 . 1 1 96 96 GLN C C 13 173.4296 0.6 . 1 . 15479 . A 810 GLN C . 30201 1 1180 . 1 1 96 96 GLN CA C 13 53.1036 0.6 . 1 . 24883 . A 810 GLN CA . 30201 1 1181 . 1 1 96 96 GLN CB C 13 30.3717 0.6 . 1 . 12740 . A 810 GLN CB . 30201 1 1182 . 1 1 96 96 GLN CG C 13 33.5920 0.6 . 1 . . . A 810 GLN CG . 30201 1 1183 . 1 1 96 96 GLN N N 15 124.4695 0.3 . 1 . 15822 . A 810 GLN N . 30201 1 1184 . 1 1 96 96 GLN NE2 N 15 113.4136 0.3 . 1 . . . A 810 GLN NE2 . 30201 1 1185 . 1 1 97 97 PRO HA H 1 4.3540 0.05 . 1 . 33059 . A 811 PRO HA . 30201 1 1186 . 1 1 97 97 PRO HB2 H 1 2.3980 0.05 . 2 . 31484 . A 811 PRO HB2 . 30201 1 1187 . 1 1 97 97 PRO HB3 H 1 1.7970 0.05 . 2 . 31493 . A 811 PRO HB3 . 30201 1 1188 . 1 1 97 97 PRO HG2 H 1 2.1300 0.05 . 2 . 37457 . A 811 PRO HG2 . 30201 1 1189 . 1 1 97 97 PRO HG3 H 1 2.0070 0.05 . 2 . 37457 . A 811 PRO HG3 . 30201 1 1190 . 1 1 97 97 PRO HD2 H 1 3.7660 0.05 . 2 . 33011 . A 811 PRO HD2 . 30201 1 1191 . 1 1 97 97 PRO HD3 H 1 3.7330 0.05 . 2 . 33011 . A 811 PRO HD3 . 30201 1 1192 . 1 1 97 97 PRO C C 13 177.1203 0.6 . 1 . 16436 . A 811 PRO C . 30201 1 1193 . 1 1 97 97 PRO CA C 13 64.1166 0.6 . 1 . 12749 . A 811 PRO CA . 30201 1 1194 . 1 1 97 97 PRO CB C 13 31.7748 0.6 . 1 . 17563 . A 811 PRO CB . 30201 1 1195 . 1 1 97 97 PRO CG C 13 28.0770 0.6 . 1 . 37454 . A 811 PRO CG . 30201 1 1196 . 1 1 97 97 PRO CD C 13 50.5060 0.6 . 1 . 36401 . A 811 PRO CD . 30201 1 1197 . 1 1 98 98 ASP H H 1 8.3682 0.05 . 1 . 15745 . A 812 ASP H . 30201 1 1198 . 1 1 98 98 ASP HA H 1 4.9630 0.05 . 1 . 33299 . A 812 ASP HA . 30201 1 1199 . 1 1 98 98 ASP HB2 H 1 2.7630 0.05 . 2 . 33323 . A 812 ASP HB2 . 30201 1 1200 . 1 1 98 98 ASP HB3 H 1 2.4900 0.05 . 2 . 33326 . A 812 ASP HB3 . 30201 1 1201 . 1 1 98 98 ASP C C 13 175.6878 0.6 . 1 . 15251 . A 812 ASP C . 30201 1 1202 . 1 1 98 98 ASP CA C 13 53.4898 0.6 . 1 . 12776 . A 812 ASP CA . 30201 1 1203 . 1 1 98 98 ASP CB C 13 42.9322 0.6 . 1 . 12782 . A 812 ASP CB . 30201 1 1204 . 1 1 98 98 ASP N N 15 123.7844 0.3 . 1 . 15747 . A 812 ASP N . 30201 1 1205 . 1 1 99 99 ALA H H 1 8.6855 0.05 . 1 . 21235 . A 813 ALA H . 30201 1 1206 . 1 1 99 99 ALA HA H 1 4.8170 0.05 . 1 . 31562 . A 813 ALA HA . 30201 1 1207 . 1 1 99 99 ALA HB1 H 1 1.3080 0.05 . 1 . 31592 . A 813 ALA HB1 . 30201 1 1208 . 1 1 99 99 ALA HB2 H 1 1.3080 0.05 . 1 . 31592 . A 813 ALA HB2 . 30201 1 1209 . 1 1 99 99 ALA HB3 H 1 1.3080 0.05 . 1 . 31592 . A 813 ALA HB3 . 30201 1 1210 . 1 1 99 99 ALA C C 13 175.5976 0.6 . 1 . 21257 . A 813 ALA C . 30201 1 1211 . 1 1 99 99 ALA CA C 13 50.7953 0.6 . 1 . 21248 . A 813 ALA CA . 30201 1 1212 . 1 1 99 99 ALA CB C 13 21.0247 0.6 . 1 . 21254 . A 813 ALA CB . 30201 1 1213 . 1 1 99 99 ALA N N 15 121.2700 0.3 . 1 . 21237 . A 813 ALA N . 30201 1 1214 . 1 1 100 100 LYS H H 1 8.6530 0.05 . 1 . 15913 . A 814 LYS H . 30201 1 1215 . 1 1 100 100 LYS HA H 1 4.7890 0.05 . 1 . 31370 . A 814 LYS HA . 30201 1 1216 . 1 1 100 100 LYS HB2 H 1 1.8370 0.05 . 2 . 31385 . A 814 LYS HB2 . 30201 1 1217 . 1 1 100 100 LYS HB3 H 1 1.7220 0.05 . 2 . 31388 . A 814 LYS HB3 . 30201 1 1218 . 1 1 100 100 LYS HG2 H 1 1.4390 0.05 . 2 . 32978 . A 814 LYS HG2 . 30201 1 1219 . 1 1 100 100 LYS HG3 H 1 1.2910 0.05 . 2 . 32981 . A 814 LYS HG3 . 30201 1 1220 . 1 1 100 100 LYS HD2 H 1 1.8200 0.05 . 2 . 32972 . A 814 LYS HD2 . 30201 1 1221 . 1 1 100 100 LYS HD3 H 1 1.6750 0.05 . 2 . 32975 . A 814 LYS HD3 . 30201 1 1222 . 1 1 100 100 LYS C C 13 174.9930 0.6 . 1 . 20693 . A 814 LYS C . 30201 1 1223 . 1 1 100 100 LYS CA C 13 55.7686 0.6 . 1 . 14186 . A 814 LYS CA . 30201 1 1224 . 1 1 100 100 LYS CB C 13 33.4190 0.6 . 1 . 12917 . A 814 LYS CB . 30201 1 1225 . 1 1 100 100 LYS CG C 13 25.2430 0.6 . 1 . 36365 . A 814 LYS CG . 30201 1 1226 . 1 1 100 100 LYS CD C 13 29.1070 0.6 . 1 . 36359 . A 814 LYS CD . 30201 1 1227 . 1 1 100 100 LYS CE C 13 41.9370 0.6 . 1 . 36344 . A 814 LYS CE . 30201 1 1228 . 1 1 100 100 LYS N N 15 123.1527 0.3 . 1 . 15915 . A 814 LYS N . 30201 1 1229 . 1 1 101 101 ILE H H 1 8.8870 0.05 . 1 . 14959 . A 815 ILE H . 30201 1 1230 . 1 1 101 101 ILE HA H 1 4.5190 0.05 . 1 . 32777 . A 815 ILE HA . 30201 1 1231 . 1 1 101 101 ILE HB H 1 1.5040 0.05 . 1 . 32798 . A 815 ILE HB . 30201 1 1232 . 1 1 101 101 ILE HG12 H 1 0.9000 0.05 . 2 . 37463 . A 815 ILE HG12 . 30201 1 1233 . 1 1 101 101 ILE HG13 H 1 1.5070 0.05 . 2 . . . A 815 ILE HG13 . 30201 1 1234 . 1 1 101 101 ILE HG21 H 1 0.3460 0.05 . 1 . 32810 . A 815 ILE HG21 . 30201 1 1235 . 1 1 101 101 ILE HG22 H 1 0.3460 0.05 . 1 . 32810 . A 815 ILE HG22 . 30201 1 1236 . 1 1 101 101 ILE HG23 H 1 0.3460 0.05 . 1 . 32810 . A 815 ILE HG23 . 30201 1 1237 . 1 1 101 101 ILE HD11 H 1 0.7730 0.05 . 1 . 32810 . A 815 ILE HD11 . 30201 1 1238 . 1 1 101 101 ILE HD12 H 1 0.7730 0.05 . 1 . 32810 . A 815 ILE HD12 . 30201 1 1239 . 1 1 101 101 ILE HD13 H 1 0.7730 0.05 . 1 . 32810 . A 815 ILE HD13 . 30201 1 1240 . 1 1 101 101 ILE C C 13 174.5937 0.6 . 1 . 15347 . A 815 ILE C . 30201 1 1241 . 1 1 101 101 ILE CA C 13 60.4703 0.6 . 1 . 12692 . A 815 ILE CA . 30201 1 1242 . 1 1 101 101 ILE CB C 13 41.0721 0.6 . 1 . 30558 . A 815 ILE CB . 30201 1 1243 . 1 1 101 101 ILE CG1 C 13 27.5280 0.6 . 1 . 36125 . A 815 ILE CG1 . 30201 1 1244 . 1 1 101 101 ILE CG2 C 13 17.9160 0.6 . 1 . 36140 . A 815 ILE CG2 . 30201 1 1245 . 1 1 101 101 ILE CD1 C 13 14.4370 0.6 . 1 . 36143 . A 815 ILE CD1 . 30201 1 1246 . 1 1 101 101 ILE N N 15 124.5381 0.3 . 1 . 14961 . A 815 ILE N . 30201 1 1247 . 1 1 102 102 GLN H H 1 8.8282 0.05 . 1 . 15721 . A 816 GLN H . 30201 1 1248 . 1 1 102 102 GLN HA H 1 5.0270 0.05 . 1 . 31205 . A 816 GLN HA . 30201 1 1249 . 1 1 102 102 GLN HB2 H 1 2.1390 0.05 . 2 . 31211 . A 816 GLN HB2 . 30201 1 1250 . 1 1 102 102 GLN HB3 H 1 1.9830 0.05 . 2 . 31196 . A 816 GLN HB3 . 30201 1 1251 . 1 1 102 102 GLN HG2 H 1 2.3290 0.05 . 2 . 32822 . A 816 GLN HG2 . 30201 1 1252 . 1 1 102 102 GLN HG3 H 1 2.1560 0.05 . 2 . 32825 . A 816 GLN HG3 . 30201 1 1253 . 1 1 102 102 GLN HE21 H 1 7.9292 0.05 . 2 . . . A 816 GLN HE21 . 30201 1 1254 . 1 1 102 102 GLN HE22 H 1 6.8229 0.05 . 2 . . . A 816 GLN HE22 . 30201 1 1255 . 1 1 102 102 GLN C C 13 174.4754 0.6 . 1 . 15371 . A 816 GLN C . 30201 1 1256 . 1 1 102 102 GLN CA C 13 55.3869 0.6 . 1 . 12494 . A 816 GLN CA . 30201 1 1257 . 1 1 102 102 GLN CB C 13 31.1490 0.6 . 1 . 12518 . A 816 GLN CB . 30201 1 1258 . 1 1 102 102 GLN CG C 13 34.5260 0.6 . 1 . 36161 . A 816 GLN CG . 30201 1 1259 . 1 1 102 102 GLN N N 15 127.5156 0.3 . 1 . 15723 . A 816 GLN N . 30201 1 1260 . 1 1 102 102 GLN NE2 N 15 112.1731 0.3 . 1 . . . A 816 GLN NE2 . 30201 1 1261 . 1 1 103 103 VAL H H 1 9.0209 0.05 . 1 . 17051 . A 817 VAL H . 30201 1 1262 . 1 1 103 103 VAL HA H 1 4.5730 0.05 . 1 . 32732 . A 817 VAL HA . 30201 1 1263 . 1 1 103 103 VAL HB H 1 2.3350 0.05 . 1 . 32747 . A 817 VAL HB . 30201 1 1264 . 1 1 103 103 VAL HG11 H 1 0.7150 0.05 . 2 . 32762 . A 817 VAL HG11 . 30201 1 1265 . 1 1 103 103 VAL HG12 H 1 0.7150 0.05 . 2 . 32762 . A 817 VAL HG12 . 30201 1 1266 . 1 1 103 103 VAL HG13 H 1 0.7150 0.05 . 2 . 32762 . A 817 VAL HG13 . 30201 1 1267 . 1 1 103 103 VAL HG21 H 1 0.3960 0.05 . 2 . 32768 . A 817 VAL HG21 . 30201 1 1268 . 1 1 103 103 VAL HG22 H 1 0.3960 0.05 . 2 . 32768 . A 817 VAL HG22 . 30201 1 1269 . 1 1 103 103 VAL HG23 H 1 0.3960 0.05 . 2 . 32768 . A 817 VAL HG23 . 30201 1 1270 . 1 1 103 103 VAL C C 13 176.7828 0.6 . 1 . 30640 . A 817 VAL C . 30201 1 1271 . 1 1 103 103 VAL CA C 13 61.4833 0.6 . 1 . 17124 . A 817 VAL CA . 30201 1 1272 . 1 1 103 103 VAL CB C 13 32.3295 0.6 . 1 . 17067 . A 817 VAL CB . 30201 1 1273 . 1 1 103 103 VAL CG1 C 13 21.6190 0.6 . 2 . 36071 . A 817 VAL CG1 . 30201 1 1274 . 1 1 103 103 VAL CG2 C 13 21.6190 0.6 . 2 . 36071 . A 817 VAL CG2 . 30201 1 1275 . 1 1 103 103 VAL N N 15 126.9419 0.3 . 1 . 17053 . A 817 VAL N . 30201 1 1276 . 1 1 104 104 ARG H H 1 8.6967 0.05 . 1 . 14320 . A 818 ARG H . 30201 1 1277 . 1 1 104 104 ARG HA H 1 4.7840 0.05 . 1 . 33305 . A 818 ARG HA . 30201 1 1278 . 1 1 104 104 ARG HB2 H 1 1.9320 0.05 . 2 . 31799 . A 818 ARG HB2 . 30201 1 1279 . 1 1 104 104 ARG HB3 H 1 1.8240 0.05 . 2 . 31802 . A 818 ARG HB3 . 30201 1 1280 . 1 1 104 104 ARG HG2 H 1 1.5540 0.05 . 2 . 33338 . A 818 ARG HG2 . 30201 1 1281 . 1 1 104 104 ARG HG3 H 1 1.5540 0.05 . 2 . 33338 . A 818 ARG HG3 . 30201 1 1282 . 1 1 104 104 ARG HD2 H 1 3.3550 0.05 . 2 . 33314 . A 818 ARG HD2 . 30201 1 1283 . 1 1 104 104 ARG HD3 H 1 3.1240 0.05 . 2 . 33317 . A 818 ARG HD3 . 30201 1 1284 . 1 1 104 104 ARG C C 13 175.4923 0.6 . 1 . 15275 . A 818 ARG C . 30201 1 1285 . 1 1 104 104 ARG CA C 13 54.1096 0.6 . 1 . 14291 . A 818 ARG CA . 30201 1 1286 . 1 1 104 104 ARG CB C 13 33.4307 0.6 . 1 . 12455 . A 818 ARG CB . 30201 1 1287 . 1 1 104 104 ARG CG C 13 27.0370 0.6 . 1 . 36674 . A 818 ARG CG . 30201 1 1288 . 1 1 104 104 ARG CD C 13 42.9150 0.6 . 1 . 36656 . A 818 ARG CD . 30201 1 1289 . 1 1 104 104 ARG N N 15 127.9839 0.3 . 1 . 14322 . A 818 ARG N . 30201 1 1290 . 1 1 105 105 ARG H H 1 8.6665 0.05 . 1 . 21305 . A 819 ARG H . 30201 1 1291 . 1 1 105 105 ARG HA H 1 4.2960 0.05 . 1 . 33203 . A 819 ARG HA . 30201 1 1292 . 1 1 105 105 ARG HB2 H 1 1.8400 0.05 . 2 . 37391 . A 819 ARG HB2 . 30201 1 1293 . 1 1 105 105 ARG HB3 H 1 1.7990 0.05 . 2 . 31643 . A 819 ARG HB3 . 30201 1 1294 . 1 1 105 105 ARG HG2 H 1 1.6120 0.05 . 2 . 37469 . A 819 ARG HG2 . 30201 1 1295 . 1 1 105 105 ARG HG3 H 1 1.5767 0.05 . 2 . 37469 . A 819 ARG HG3 . 30201 1 1296 . 1 1 105 105 ARG HD2 H 1 3.1800 0.05 . 2 . 33209 . A 819 ARG HD2 . 30201 1 1297 . 1 1 105 105 ARG HD3 H 1 3.1800 0.05 . 2 . 33209 . A 819 ARG HD3 . 30201 1 1298 . 1 1 105 105 ARG C C 13 175.7266 0.6 . 1 . 28252 . A 819 ARG C . 30201 1 1299 . 1 1 105 105 ARG CA C 13 56.6970 0.6 . 1 . 28258 . A 819 ARG CA . 30201 1 1300 . 1 1 105 105 ARG CB C 13 31.2181 0.6 . 1 . 28240 . A 819 ARG CB . 30201 1 1301 . 1 1 105 105 ARG CG C 13 27.5380 0.6 . 1 . 36578 . A 819 ARG CG . 30201 1 1302 . 1 1 105 105 ARG CD C 13 43.4270 0.6 . 1 . 36566 . A 819 ARG CD . 30201 1 1303 . 1 1 105 105 ARG N N 15 121.2278 0.3 . 1 . 21307 . A 819 ARG N . 30201 1 1304 . 1 1 106 106 ASP H H 1 8.5665 0.05 . 1 . 28236 . A 820 ASP H . 30201 1 1305 . 1 1 106 106 ASP HA H 1 4.6430 0.05 . 1 . 33110 . A 820 ASP HA . 30201 1 1306 . 1 1 106 106 ASP HB2 H 1 2.7000 0.05 . 2 . 33137 . A 820 ASP HB2 . 30201 1 1307 . 1 1 106 106 ASP HB3 H 1 2.7520 0.05 . 2 . 33137 . A 820 ASP HB3 . 30201 1 1308 . 1 1 106 106 ASP C C 13 176.1426 0.6 . 1 . 28249 . A 820 ASP C . 30201 1 1309 . 1 1 106 106 ASP CA C 13 54.1020 0.6 . 1 . 28246 . A 820 ASP CA . 30201 1 1310 . 1 1 106 106 ASP CB C 13 41.4304 0.6 . 1 . 28243 . A 820 ASP CB . 30201 1 1311 . 1 1 106 106 ASP N N 15 122.2156 0.3 . 1 . 28238 . A 820 ASP N . 30201 1 1312 . 1 1 107 107 GLU H H 1 8.5739 0.05 . 1 . 19415 . A 821 GLU H . 30201 1 1313 . 1 1 107 107 GLU HA H 1 4.2930 0.05 . 1 . 33797 . A 821 GLU HA . 30201 1 1314 . 1 1 107 107 GLU HB2 H 1 2.1030 0.05 . 2 . 32546 . A 821 GLU HB2 . 30201 1 1315 . 1 1 107 107 GLU HB3 H 1 1.8930 0.05 . 2 . 32549 . A 821 GLU HB3 . 30201 1 1316 . 1 1 107 107 GLU HG2 H 1 2.2090 0.05 . 2 . 33785 . A 821 GLU HG2 . 30201 1 1317 . 1 1 107 107 GLU HG3 H 1 2.2650 0.05 . 2 . 33785 . A 821 GLU HG3 . 30201 1 1318 . 1 1 107 107 GLU C C 13 177.1055 0.6 . 1 . 19437 . A 821 GLU C . 30201 1 1319 . 1 1 107 107 GLU CA C 13 56.8883 0.6 . 1 . 19419 . A 821 GLU CA . 30201 1 1320 . 1 1 107 107 GLU CB C 13 30.0196 0.6 . 1 . 19434 . A 821 GLU CB . 30201 1 1321 . 1 1 107 107 GLU CG C 13 36.3050 0.6 . 1 . 37253 . A 821 GLU CG . 30201 1 1322 . 1 1 107 107 GLU N N 15 122.8553 0.3 . 1 . 19417 . A 821 GLU N . 30201 1 1323 . 1 1 108 108 GLY H H 1 8.5360 0.05 . 1 . 18033 . A 822 GLY H . 30201 1 1324 . 1 1 108 108 GLY HA2 H 1 3.8640 0.05 . 2 . 33503 . A 822 GLY HA2 . 30201 1 1325 . 1 1 108 108 GLY HA3 H 1 3.8640 0.05 . 2 . 33503 . A 822 GLY HA3 . 30201 1 1326 . 1 1 108 108 GLY C C 13 174.1262 0.6 . 1 . 18067 . A 822 GLY C . 30201 1 1327 . 1 1 108 108 GLY CA C 13 45.4403 0.6 . 1 . 18079 . A 822 GLY CA . 30201 1 1328 . 1 1 108 108 GLY N N 15 108.9427 0.3 . 1 . 18035 . A 822 GLY N . 30201 1 1329 . 1 1 109 109 HIS H H 1 8.1055 0.05 . 1 . 24977 . A 823 HIS H . 30201 1 1330 . 1 1 109 109 HIS HA H 1 4.5400 0.05 . 1 . . . A 823 HIS HA . 30201 1 1331 . 1 1 109 109 HIS HB2 H 1 2.9750 0.05 . 2 . . . A 823 HIS HB2 . 30201 1 1332 . 1 1 109 109 HIS HB3 H 1 3.0300 0.05 . 2 . . . A 823 HIS HB3 . 30201 1 1333 . 1 1 109 109 HIS HD2 H 1 6.9550 0.05 . 1 . . . A 823 HIS HD2 . 30201 1 1334 . 1 1 109 109 HIS C C 13 175.0597 0.6 . 1 . 24981 . A 823 HIS C . 30201 1 1335 . 1 1 109 109 HIS CA C 13 55.9022 0.6 . 1 . 25339 . A 823 HIS CA . 30201 1 1336 . 1 1 109 109 HIS CB C 13 29.7537 0.6 . 1 . 24990 . A 823 HIS CB . 30201 1 1337 . 1 1 109 109 HIS N N 15 118.7278 0.3 . 1 . 24979 . A 823 HIS N . 30201 1 stop_ save_