data_16439 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16439 _Entry.Title ; Combined high- and low-resolution techniques reveal compact structure in central portion of factor H despite long inter-modular linkers ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2009-08-04 _Entry.Accession_date 2009-08-04 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Christoph Schmidt . Q. . 16439 2 Andrew Herbert . P. . 16439 3 Mara Guariento . . . 16439 4 Haydyn Mertens . D. . 16439 5 Dinesh Soares . C. . 16439 6 Dusan Uhrin . . . 16439 7 Arthur Rowe . J. . 16439 8 Dmitri Svergun . I. . 16439 9 Paul Barlow . N. . 16439 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID . 'not applicable' 'not applicable' . 16439 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'compact structure' . 16439 'limited interdomain flexibility' . 16439 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16439 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 508 16439 '15N chemical shifts' 127 16439 '1H chemical shifts' 746 16439 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 3 . . 2010-05-28 2009-08-04 update BMRB 'edit entity/assembly name' 16439 2 . . 2010-01-20 2009-08-04 update BMRB 'complete entry citation' 16439 1 . . 2009-11-19 2009-08-04 original author 'original release' 16439 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2KMS 'BMRB Entry Tracking System' 16439 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 16439 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 19835885 _Citation.Full_citation . _Citation.Title 'The central portion of factor H (modules 10-15) is compact and contains a structurally deviant CCP module.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full 'Journal of molecular biology' _Citation.Journal_volume 395 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 105 _Citation.Page_last 122 _Citation.Year 2010 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Christoph Schmidt . Q. . 16439 1 2 Andrew Herbert . P. . 16439 1 3 Haydyn Mertens . D.T. . 16439 1 4 Mara Guariento . . . 16439 1 5 Dinesh Soares . C. . 16439 1 6 Dusan Uhrin . . . 16439 1 7 Arthur Rowe . J. . 16439 1 8 Dmitri Svergun . I. . 16439 1 9 Paul Barlow . N. . 16439 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID AMD 16439 1 Complement 16439 1 'Factor H' 16439 1 HUS 16439 1 NMR 16439 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16439 _Assembly.ID 1 _Assembly.Name 'factor H (modules 10-15)' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _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 'factor H (modules 10-15)' 1 $entity A . yes native no no . . . 16439 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 entity 1 CYS 8 8 SG . 1 entity 1 CYS 50 50 SG . entity 691 CYS SG . entity 733 CYS SG 16439 1 2 disulfide single . 1 entity 1 CYS 36 36 SG . 1 entity 1 CYS 61 61 SG . entity 719 CYS SG . entity 744 CYS SG 16439 1 3 disulfide single . 1 entity 1 CYS 70 70 SG . 1 entity 1 CYS 109 109 SG . entity 753 CYS SG . entity 792 CYS SG 16439 1 4 disulfide single . 1 entity 1 CYS 98 98 SG . 1 entity 1 CYS 120 120 SG . entity 781 CYS SG . entity 803 CYS SG 16439 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 16439 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'factor H (modules 10-15)' _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 ; EAEAAGTCGDIPELEHGWAQ LSSPPYYYGDSVEFNCSESF TMIGHRSITCIHGVWTQLPQ CVAIDKLKKCKSSNLIILEE HLKNKKEFDHNSNIRYRCRG KEGWIHTVCINGRWDPEVNC S ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 121 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2014-05-12 loop_ _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID no PDB 2KMS . "Combined High- And Low-Resolution Techniques Reveal Compact Structure In Central Portion Of Factor H Despite Long Inter-Modular" . . . . . 95.04 115 100.00 100.00 5.12e-80 . . . . 16439 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'two domains of the alternative complement pathway regulator Factor H' 16439 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 1 684 GLU . 16439 1 2 685 ALA . 16439 1 3 686 GLU . 16439 1 4 687 ALA . 16439 1 5 688 ALA . 16439 1 6 689 GLY . 16439 1 7 690 THR . 16439 1 8 691 CYS . 16439 1 9 692 GLY . 16439 1 10 693 ASP . 16439 1 11 694 ILE . 16439 1 12 695 PRO . 16439 1 13 696 GLU . 16439 1 14 697 LEU . 16439 1 15 698 GLU . 16439 1 16 699 HIS . 16439 1 17 700 GLY . 16439 1 18 701 TRP . 16439 1 19 702 ALA . 16439 1 20 703 GLN . 16439 1 21 704 LEU . 16439 1 22 705 SER . 16439 1 23 706 SER . 16439 1 24 707 PRO . 16439 1 25 708 PRO . 16439 1 26 709 TYR . 16439 1 27 710 TYR . 16439 1 28 711 TYR . 16439 1 29 712 GLY . 16439 1 30 713 ASP . 16439 1 31 714 SER . 16439 1 32 715 VAL . 16439 1 33 716 GLU . 16439 1 34 717 PHE . 16439 1 35 718 ASN . 16439 1 36 719 CYS . 16439 1 37 720 SER . 16439 1 38 721 GLU . 16439 1 39 722 SER . 16439 1 40 723 PHE . 16439 1 41 724 THR . 16439 1 42 725 MET . 16439 1 43 726 ILE . 16439 1 44 727 GLY . 16439 1 45 728 HIS . 16439 1 46 729 ARG . 16439 1 47 730 SER . 16439 1 48 731 ILE . 16439 1 49 732 THR . 16439 1 50 733 CYS . 16439 1 51 734 ILE . 16439 1 52 735 HIS . 16439 1 53 736 GLY . 16439 1 54 737 VAL . 16439 1 55 738 TRP . 16439 1 56 739 THR . 16439 1 57 740 GLN . 16439 1 58 741 LEU . 16439 1 59 742 PRO . 16439 1 60 743 GLN . 16439 1 61 744 CYS . 16439 1 62 745 VAL . 16439 1 63 746 ALA . 16439 1 64 747 ILE . 16439 1 65 748 ASP . 16439 1 66 749 LYS . 16439 1 67 750 LEU . 16439 1 68 751 LYS . 16439 1 69 752 LYS . 16439 1 70 753 CYS . 16439 1 71 754 LYS . 16439 1 72 755 SER . 16439 1 73 756 SER . 16439 1 74 757 ASN . 16439 1 75 758 LEU . 16439 1 76 759 ILE . 16439 1 77 760 ILE . 16439 1 78 761 LEU . 16439 1 79 762 GLU . 16439 1 80 763 GLU . 16439 1 81 764 HIS . 16439 1 82 765 LEU . 16439 1 83 766 LYS . 16439 1 84 767 ASN . 16439 1 85 768 LYS . 16439 1 86 769 LYS . 16439 1 87 770 GLU . 16439 1 88 771 PHE . 16439 1 89 772 ASP . 16439 1 90 773 HIS . 16439 1 91 774 ASN . 16439 1 92 775 SER . 16439 1 93 776 ASN . 16439 1 94 777 ILE . 16439 1 95 778 ARG . 16439 1 96 779 TYR . 16439 1 97 780 ARG . 16439 1 98 781 CYS . 16439 1 99 782 ARG . 16439 1 100 783 GLY . 16439 1 101 784 LYS . 16439 1 102 785 GLU . 16439 1 103 786 GLY . 16439 1 104 787 TRP . 16439 1 105 788 ILE . 16439 1 106 789 HIS . 16439 1 107 790 THR . 16439 1 108 791 VAL . 16439 1 109 792 CYS . 16439 1 110 793 ILE . 16439 1 111 794 ASN . 16439 1 112 795 GLY . 16439 1 113 796 ARG . 16439 1 114 797 TRP . 16439 1 115 798 ASP . 16439 1 116 799 PRO . 16439 1 117 800 GLU . 16439 1 118 801 VAL . 16439 1 119 802 ASN . 16439 1 120 803 CYS . 16439 1 121 804 SER . 16439 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 . GLU 1 1 16439 1 . ALA 2 2 16439 1 . GLU 3 3 16439 1 . ALA 4 4 16439 1 . ALA 5 5 16439 1 . GLY 6 6 16439 1 . THR 7 7 16439 1 . CYS 8 8 16439 1 . GLY 9 9 16439 1 . ASP 10 10 16439 1 . ILE 11 11 16439 1 . PRO 12 12 16439 1 . GLU 13 13 16439 1 . LEU 14 14 16439 1 . GLU 15 15 16439 1 . HIS 16 16 16439 1 . GLY 17 17 16439 1 . TRP 18 18 16439 1 . ALA 19 19 16439 1 . GLN 20 20 16439 1 . LEU 21 21 16439 1 . SER 22 22 16439 1 . SER 23 23 16439 1 . PRO 24 24 16439 1 . PRO 25 25 16439 1 . TYR 26 26 16439 1 . TYR 27 27 16439 1 . TYR 28 28 16439 1 . GLY 29 29 16439 1 . ASP 30 30 16439 1 . SER 31 31 16439 1 . VAL 32 32 16439 1 . GLU 33 33 16439 1 . PHE 34 34 16439 1 . ASN 35 35 16439 1 . CYS 36 36 16439 1 . SER 37 37 16439 1 . GLU 38 38 16439 1 . SER 39 39 16439 1 . PHE 40 40 16439 1 . THR 41 41 16439 1 . MET 42 42 16439 1 . ILE 43 43 16439 1 . GLY 44 44 16439 1 . HIS 45 45 16439 1 . ARG 46 46 16439 1 . SER 47 47 16439 1 . ILE 48 48 16439 1 . THR 49 49 16439 1 . CYS 50 50 16439 1 . ILE 51 51 16439 1 . HIS 52 52 16439 1 . GLY 53 53 16439 1 . VAL 54 54 16439 1 . TRP 55 55 16439 1 . THR 56 56 16439 1 . GLN 57 57 16439 1 . LEU 58 58 16439 1 . PRO 59 59 16439 1 . GLN 60 60 16439 1 . CYS 61 61 16439 1 . VAL 62 62 16439 1 . ALA 63 63 16439 1 . ILE 64 64 16439 1 . ASP 65 65 16439 1 . LYS 66 66 16439 1 . LEU 67 67 16439 1 . LYS 68 68 16439 1 . LYS 69 69 16439 1 . CYS 70 70 16439 1 . LYS 71 71 16439 1 . SER 72 72 16439 1 . SER 73 73 16439 1 . ASN 74 74 16439 1 . LEU 75 75 16439 1 . ILE 76 76 16439 1 . ILE 77 77 16439 1 . LEU 78 78 16439 1 . GLU 79 79 16439 1 . GLU 80 80 16439 1 . HIS 81 81 16439 1 . LEU 82 82 16439 1 . LYS 83 83 16439 1 . ASN 84 84 16439 1 . LYS 85 85 16439 1 . LYS 86 86 16439 1 . GLU 87 87 16439 1 . PHE 88 88 16439 1 . ASP 89 89 16439 1 . HIS 90 90 16439 1 . ASN 91 91 16439 1 . SER 92 92 16439 1 . ASN 93 93 16439 1 . ILE 94 94 16439 1 . ARG 95 95 16439 1 . TYR 96 96 16439 1 . ARG 97 97 16439 1 . CYS 98 98 16439 1 . ARG 99 99 16439 1 . GLY 100 100 16439 1 . LYS 101 101 16439 1 . GLU 102 102 16439 1 . GLY 103 103 16439 1 . TRP 104 104 16439 1 . ILE 105 105 16439 1 . HIS 106 106 16439 1 . THR 107 107 16439 1 . VAL 108 108 16439 1 . CYS 109 109 16439 1 . ILE 110 110 16439 1 . ASN 111 111 16439 1 . GLY 112 112 16439 1 . ARG 113 113 16439 1 . TRP 114 114 16439 1 . ASP 115 115 16439 1 . PRO 116 116 16439 1 . GLU 117 117 16439 1 . VAL 118 118 16439 1 . ASN 119 119 16439 1 . CYS 120 120 16439 1 . SER 121 121 16439 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 16439 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 16439 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 16439 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity . 'recombinant technology' 'Pichia pastoris' . . . Pichia pastoris KM71H . . . . . . . . . . . . . . . pPICZalphaB . . . . . . 16439 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 16439 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'potassium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 16439 1 2 entity '[U-100% 13C; U-100% 15N]' . . 1 $entity . . 0.62 . . mM . . . . 16439 1 3 D2O 'natural abundance' . . . . . . 7 . . % . . . . 16439 1 4 H2O 'natural abundance' . . . . . . 93 . . % . . . . 16439 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 16439 _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' 20 . mM 16439 1 pH 6.6 . pH 16439 1 pressure 1 . atm 16439 1 temperature 298 . K 16439 1 stop_ save_ ############################ # Computer software used # ############################ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 16439 _Software.ID 1 _Software.Name CNS _Software.Version 1.2 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 16439 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 16439 1 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 16439 _Software.ID 2 _Software.Name CYANA _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 16439 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 16439 2 stop_ save_ save_Molmol _Software.Sf_category software _Software.Sf_framecode Molmol _Software.Entry_ID 16439 _Software.ID 3 _Software.Name Molmol _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Koradi, Billeter and Wuthrich' . . 16439 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 16439 3 stop_ save_ save_AZARA _Software.Sf_category software _Software.Sf_framecode AZARA _Software.Entry_ID 16439 _Software.ID 4 _Software.Name AZARA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Boucher . . 16439 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 16439 4 stop_ save_ save_ProcheckNMR _Software.Sf_category software _Software.Sf_framecode ProcheckNMR _Software.Entry_ID 16439 _Software.ID 5 _Software.Name ProcheckNMR _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Laskowski and MacArthur' . . 16439 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 16439 5 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 16439 _Software.ID 6 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 16439 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 16439 6 stop_ save_ save_WhatIF _Software.Sf_category software _Software.Sf_framecode WhatIF _Software.Entry_ID 16439 _Software.ID 7 _Software.Name WhatIF _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Vriend . . 16439 7 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 16439 7 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 16439 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 16439 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 16439 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 800 . . . 16439 1 2 spectrometer_2 Bruker Avance . 600 . . . 16439 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 16439 _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 . . . . . . . . . . . . . . . . . . . . . 16439 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16439 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16439 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16439 1 5 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16439 1 6 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16439 1 7 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16439 1 8 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16439 1 9 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16439 1 10 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16439 1 11 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16439 1 12 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16439 1 13 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16439 1 14 '3D CBCANH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16439 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 16439 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.251449530 . . . . . . . . . 16439 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 na indirect 1.000000000 . . . . . . . . . 16439 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 16439 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 16439 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 16439 1 2 '2D 1H-13C HSQC' . . . 16439 1 3 '3D CBCA(CO)NH' . . . 16439 1 4 '3D HNCACB' . . . 16439 1 5 '3D HBHA(CO)NH' . . . 16439 1 6 '3D H(CCO)NH' . . . 16439 1 7 '3D HCCH-TOCSY' . . . 16439 1 8 '3D HNCO' . . . 16439 1 9 '3D HNCA' . . . 16439 1 10 '3D C(CO)NH' . . . 16439 1 11 '3D 1H-15N TOCSY' . . . 16439 1 12 '3D 1H-13C NOESY' . . . 16439 1 13 '3D 1H-15N NOESY' . . . 16439 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 3 3 GLU H H 1 8.525 0.003 . 1 . . . . 686 GLU H . 16439 1 2 . 1 1 3 3 GLU HA H 1 4.164 0.008 . 1 . . . . 686 GLU HA . 16439 1 3 . 1 1 3 3 GLU HB2 H 1 1.935 0.011 . 1 . . . . 686 GLU HB2 . 16439 1 4 . 1 1 3 3 GLU HG2 H 1 2.234 0.003 . 1 . . . . 686 GLU HG2 . 16439 1 5 . 1 1 3 3 GLU C C 13 175.758 0.001 . 1 . . . . 686 GLU C . 16439 1 6 . 1 1 3 3 GLU CA C 13 56.680 0.040 . 1 . . . . 686 GLU CA . 16439 1 7 . 1 1 3 3 GLU CB C 13 30.190 0.037 . 1 . . . . 686 GLU CB . 16439 1 8 . 1 1 3 3 GLU CG C 13 36.240 0.052 . 1 . . . . 686 GLU CG . 16439 1 9 . 1 1 3 3 GLU N N 15 120.983 0.035 . 1 . . . . 686 GLU N . 16439 1 10 . 1 1 4 4 ALA H H 1 8.312 0.005 . 1 . . . . 687 ALA H . 16439 1 11 . 1 1 4 4 ALA HA H 1 4.218 0.011 . 1 . . . . 687 ALA HA . 16439 1 12 . 1 1 4 4 ALA HB1 H 1 1.315 0.003 . 1 . . . . 687 ALA HB1 . 16439 1 13 . 1 1 4 4 ALA HB2 H 1 1.315 0.003 . 1 . . . . 687 ALA HB2 . 16439 1 14 . 1 1 4 4 ALA HB3 H 1 1.315 0.003 . 1 . . . . 687 ALA HB3 . 16439 1 15 . 1 1 4 4 ALA C C 13 174.782 0.002 . 1 . . . . 687 ALA C . 16439 1 16 . 1 1 4 4 ALA CA C 13 52.307 0.052 . 1 . . . . 687 ALA CA . 16439 1 17 . 1 1 4 4 ALA CB C 13 19.258 0.045 . 1 . . . . 687 ALA CB . 16439 1 18 . 1 1 4 4 ALA N N 15 125.434 0.029 . 1 . . . . 687 ALA N . 16439 1 19 . 1 1 5 5 ALA H H 1 8.234 0.002 . 1 . . . . 688 ALA H . 16439 1 20 . 1 1 5 5 ALA HA H 1 4.221 0.007 . 1 . . . . 688 ALA HA . 16439 1 21 . 1 1 5 5 ALA HB1 H 1 1.311 0.002 . 1 . . . . 688 ALA HB1 . 16439 1 22 . 1 1 5 5 ALA HB2 H 1 1.311 0.002 . 1 . . . . 688 ALA HB2 . 16439 1 23 . 1 1 5 5 ALA HB3 H 1 1.311 0.002 . 1 . . . . 688 ALA HB3 . 16439 1 24 . 1 1 5 5 ALA C C 13 174.327 0.002 . 1 . . . . 688 ALA C . 16439 1 25 . 1 1 5 5 ALA CA C 13 52.305 0.044 . 1 . . . . 688 ALA CA . 16439 1 26 . 1 1 5 5 ALA CB C 13 19.433 0.071 . 1 . . . . 688 ALA CB . 16439 1 27 . 1 1 5 5 ALA N N 15 123.847 0.015 . 1 . . . . 688 ALA N . 16439 1 28 . 1 1 6 6 GLY H H 1 7.778 0.010 . 1 . . . . 689 GLY H . 16439 1 29 . 1 1 6 6 GLY HA2 H 1 3.309 0.004 . 2 . . . . 689 GLY HA2 . 16439 1 30 . 1 1 6 6 GLY HA3 H 1 3.608 0.008 . 2 . . . . 689 GLY HA3 . 16439 1 31 . 1 1 6 6 GLY C C 13 178.709 0.003 . 1 . . . . 689 GLY C . 16439 1 32 . 1 1 6 6 GLY CA C 13 45.233 0.041 . 1 . . . . 689 GLY CA . 16439 1 33 . 1 1 6 6 GLY N N 15 107.415 0.013 . 1 . . . . 689 GLY N . 16439 1 34 . 1 1 7 7 THR H H 1 7.721 0.004 . 1 . . . . 690 THR H . 16439 1 35 . 1 1 7 7 THR HA H 1 5.195 0.006 . 1 . . . . 690 THR HA . 16439 1 36 . 1 1 7 7 THR HB H 1 4.266 0.007 . 1 . . . . 690 THR HB . 16439 1 37 . 1 1 7 7 THR C C 13 176.214 0.003 . 1 . . . . 690 THR C . 16439 1 38 . 1 1 7 7 THR CA C 13 59.421 0.065 . 1 . . . . 690 THR CA . 16439 1 39 . 1 1 7 7 THR CB C 13 72.722 0.079 . 1 . . . . 690 THR CB . 16439 1 40 . 1 1 7 7 THR N N 15 109.219 0.064 . 1 . . . . 690 THR N . 16439 1 41 . 1 1 8 8 CYS H H 1 8.456 0.007 . 1 . . . . 691 CYS H . 16439 1 42 . 1 1 8 8 CYS HA H 1 4.486 0.014 . 1 . . . . 691 CYS HA . 16439 1 43 . 1 1 8 8 CYS HB2 H 1 1.885 0.011 . 2 . . . . 691 CYS HB2 . 16439 1 44 . 1 1 8 8 CYS HB3 H 1 2.408 0.013 . 2 . . . . 691 CYS HB3 . 16439 1 45 . 1 1 8 8 CYS C C 13 177.743 0.020 . 1 . . . . 691 CYS C . 16439 1 46 . 1 1 8 8 CYS CA C 13 58.814 0.044 . 1 . . . . 691 CYS CA . 16439 1 47 . 1 1 8 8 CYS CB C 13 43.791 0.066 . 1 . . . . 691 CYS CB . 16439 1 48 . 1 1 8 8 CYS N N 15 116.727 0.028 . 1 . . . . 691 CYS N . 16439 1 49 . 1 1 9 9 GLY H H 1 8.438 0.005 . 1 . . . . 692 GLY H . 16439 1 50 . 1 1 9 9 GLY HA2 H 1 3.809 0.005 . 2 . . . . 692 GLY HA2 . 16439 1 51 . 1 1 9 9 GLY HA3 H 1 4.375 0.013 . 2 . . . . 692 GLY HA3 . 16439 1 52 . 1 1 9 9 GLY C C 13 179.140 0.003 . 1 . . . . 692 GLY C . 16439 1 53 . 1 1 9 9 GLY CA C 13 44.196 0.064 . 1 . . . . 692 GLY CA . 16439 1 54 . 1 1 9 9 GLY N N 15 107.893 0.048 . 1 . . . . 692 GLY N . 16439 1 55 . 1 1 10 10 ASP H H 1 8.065 0.003 . 1 . . . . 693 ASP H . 16439 1 56 . 1 1 10 10 ASP HA H 1 4.542 0.003 . 1 . . . . 693 ASP HA . 16439 1 57 . 1 1 10 10 ASP HB2 H 1 2.475 0.012 . 2 . . . . 693 ASP HB2 . 16439 1 58 . 1 1 10 10 ASP HB3 H 1 2.637 0.005 . 2 . . . . 693 ASP HB3 . 16439 1 59 . 1 1 10 10 ASP C C 13 175.439 0.005 . 1 . . . . 693 ASP C . 16439 1 60 . 1 1 10 10 ASP CA C 13 54.978 0.034 . 1 . . . . 693 ASP CA . 16439 1 61 . 1 1 10 10 ASP CB C 13 41.383 0.049 . 1 . . . . 693 ASP CB . 16439 1 62 . 1 1 10 10 ASP N N 15 117.384 0.031 . 1 . . . . 693 ASP N . 16439 1 63 . 1 1 11 11 ILE H H 1 8.151 0.004 . 1 . . . . 694 ILE H . 16439 1 64 . 1 1 11 11 ILE HA H 1 3.422 0.007 . 1 . . . . 694 ILE HA . 16439 1 65 . 1 1 11 11 ILE HB H 1 1.355 0.005 . 1 . . . . 694 ILE HB . 16439 1 66 . 1 1 11 11 ILE HD11 H 1 0.339 0.005 . 1 . . . . 694 ILE HD11 . 16439 1 67 . 1 1 11 11 ILE HD12 H 1 0.339 0.005 . 1 . . . . 694 ILE HD12 . 16439 1 68 . 1 1 11 11 ILE HD13 H 1 0.339 0.005 . 1 . . . . 694 ILE HD13 . 16439 1 69 . 1 1 11 11 ILE HG12 H 1 1.188 0.006 . 1 . . . . 694 ILE HG12 . 16439 1 70 . 1 1 11 11 ILE HG21 H 1 0.370 0.003 . 1 . . . . 694 ILE HG21 . 16439 1 71 . 1 1 11 11 ILE HG22 H 1 0.370 0.003 . 1 . . . . 694 ILE HG22 . 16439 1 72 . 1 1 11 11 ILE HG23 H 1 0.370 0.003 . 1 . . . . 694 ILE HG23 . 16439 1 73 . 1 1 11 11 ILE C C 13 177.576 0.000 . 1 . . . . 694 ILE C . 16439 1 74 . 1 1 11 11 ILE CA C 13 59.256 0.058 . 1 . . . . 694 ILE CA . 16439 1 75 . 1 1 11 11 ILE CB C 13 38.209 0.056 . 1 . . . . 694 ILE CB . 16439 1 76 . 1 1 11 11 ILE CD1 C 13 14.074 0.042 . 1 . . . . 694 ILE CD1 . 16439 1 77 . 1 1 11 11 ILE CG1 C 13 27.129 0.055 . 1 . . . . 694 ILE CG1 . 16439 1 78 . 1 1 11 11 ILE CG2 C 13 17.735 0.041 . 1 . . . . 694 ILE CG2 . 16439 1 79 . 1 1 11 11 ILE N N 15 120.949 0.037 . 1 . . . . 694 ILE N . 16439 1 80 . 1 1 12 12 PRO HA H 1 4.320 0.007 . 1 . . . . 695 PRO HA . 16439 1 81 . 1 1 12 12 PRO HB2 H 1 1.693 0.006 . 2 . . . . 695 PRO HB2 . 16439 1 82 . 1 1 12 12 PRO HB3 H 1 2.189 0.004 . 2 . . . . 695 PRO HB3 . 16439 1 83 . 1 1 12 12 PRO HD2 H 1 2.674 0.005 . 2 . . . . 695 PRO HD2 . 16439 1 84 . 1 1 12 12 PRO HD3 H 1 3.197 0.004 . 2 . . . . 695 PRO HD3 . 16439 1 85 . 1 1 12 12 PRO HG2 H 1 1.693 0.006 . 2 . . . . 695 PRO HG2 . 16439 1 86 . 1 1 12 12 PRO HG3 H 1 1.843 0.008 . 2 . . . . 695 PRO HG3 . 16439 1 87 . 1 1 12 12 PRO C C 13 177.178 0.000 . 1 . . . . 695 PRO C . 16439 1 88 . 1 1 12 12 PRO CA C 13 62.146 0.076 . 1 . . . . 695 PRO CA . 16439 1 89 . 1 1 12 12 PRO CB C 13 32.333 0.054 . 1 . . . . 695 PRO CB . 16439 1 90 . 1 1 12 12 PRO CD C 13 50.459 0.039 . 1 . . . . 695 PRO CD . 16439 1 91 . 1 1 12 12 PRO CG C 13 27.201 0.059 . 1 . . . . 695 PRO CG . 16439 1 92 . 1 1 13 13 GLU H H 1 7.888 0.005 . 1 . . . . 696 GLU H . 16439 1 93 . 1 1 13 13 GLU HA H 1 4.077 0.006 . 1 . . . . 696 GLU HA . 16439 1 94 . 1 1 13 13 GLU HB2 H 1 1.789 0.004 . 1 . . . . 696 GLU HB2 . 16439 1 95 . 1 1 13 13 GLU HG2 H 1 2.058 0.012 . 2 . . . . 696 GLU HG2 . 16439 1 96 . 1 1 13 13 GLU HG3 H 1 2.190 0.006 . 2 . . . . 696 GLU HG3 . 16439 1 97 . 1 1 13 13 GLU C C 13 177.000 0.034 . 1 . . . . 696 GLU C . 16439 1 98 . 1 1 13 13 GLU CA C 13 56.105 0.071 . 1 . . . . 696 GLU CA . 16439 1 99 . 1 1 13 13 GLU CB C 13 30.861 0.029 . 1 . . . . 696 GLU CB . 16439 1 100 . 1 1 13 13 GLU CG C 13 36.337 0.066 . 1 . . . . 696 GLU CG . 16439 1 101 . 1 1 13 13 GLU N N 15 117.831 0.042 . 1 . . . . 696 GLU N . 16439 1 102 . 1 1 14 14 LEU H H 1 8.533 0.007 . 1 . . . . 697 LEU H . 16439 1 103 . 1 1 14 14 LEU HA H 1 4.221 0.009 . 1 . . . . 697 LEU HA . 16439 1 104 . 1 1 14 14 LEU HB2 H 1 0.575 0.006 . 2 . . . . 697 LEU HB2 . 16439 1 105 . 1 1 14 14 LEU HB3 H 1 1.456 0.008 . 2 . . . . 697 LEU HB3 . 16439 1 106 . 1 1 14 14 LEU HD11 H 1 0.372 0.007 . 2 . . . . 697 LEU HD11 . 16439 1 107 . 1 1 14 14 LEU HD12 H 1 0.372 0.007 . 2 . . . . 697 LEU HD12 . 16439 1 108 . 1 1 14 14 LEU HD13 H 1 0.372 0.007 . 2 . . . . 697 LEU HD13 . 16439 1 109 . 1 1 14 14 LEU HD21 H 1 0.459 0.005 . 2 . . . . 697 LEU HD21 . 16439 1 110 . 1 1 14 14 LEU HD22 H 1 0.459 0.005 . 2 . . . . 697 LEU HD22 . 16439 1 111 . 1 1 14 14 LEU HD23 H 1 0.459 0.005 . 2 . . . . 697 LEU HD23 . 16439 1 112 . 1 1 14 14 LEU HG H 1 0.938 0.006 . 1 . . . . 697 LEU HG . 16439 1 113 . 1 1 14 14 LEU C C 13 176.533 0.017 . 1 . . . . 697 LEU C . 16439 1 114 . 1 1 14 14 LEU CA C 13 52.551 0.043 . 1 . . . . 697 LEU CA . 16439 1 115 . 1 1 14 14 LEU CB C 13 43.895 0.085 . 1 . . . . 697 LEU CB . 16439 1 116 . 1 1 14 14 LEU CD1 C 13 28.226 0.068 . 2 . . . . 697 LEU CD1 . 16439 1 117 . 1 1 14 14 LEU CD2 C 13 24.566 0.056 . 2 . . . . 697 LEU CD2 . 16439 1 118 . 1 1 14 14 LEU CG C 13 26.775 0.061 . 1 . . . . 697 LEU CG . 16439 1 119 . 1 1 14 14 LEU N N 15 126.781 0.040 . 1 . . . . 697 LEU N . 16439 1 120 . 1 1 15 15 GLU H H 1 8.618 0.006 . 1 . . . . 698 GLU H . 16439 1 121 . 1 1 15 15 GLU HA H 1 3.729 0.007 . 1 . . . . 698 GLU HA . 16439 1 122 . 1 1 15 15 GLU HB2 H 1 1.480 0.009 . 2 . . . . 698 GLU HB2 . 16439 1 123 . 1 1 15 15 GLU HB3 H 1 1.667 0.004 . 2 . . . . 698 GLU HB3 . 16439 1 124 . 1 1 15 15 GLU HG2 H 1 1.365 0.004 . 2 . . . . 698 GLU HG2 . 16439 1 125 . 1 1 15 15 GLU HG3 H 1 1.833 0.006 . 2 . . . . 698 GLU HG3 . 16439 1 126 . 1 1 15 15 GLU C C 13 174.871 0.005 . 1 . . . . 698 GLU C . 16439 1 127 . 1 1 15 15 GLU CA C 13 57.800 0.059 . 1 . . . . 698 GLU CA . 16439 1 128 . 1 1 15 15 GLU CB C 13 29.096 0.065 . 1 . . . . 698 GLU CB . 16439 1 129 . 1 1 15 15 GLU CG C 13 35.809 0.059 . 1 . . . . 698 GLU CG . 16439 1 130 . 1 1 15 15 GLU N N 15 130.290 0.044 . 1 . . . . 698 GLU N . 16439 1 131 . 1 1 16 16 HIS H H 1 8.716 0.007 . 1 . . . . 699 HIS H . 16439 1 132 . 1 1 16 16 HIS HA H 1 3.890 0.007 . 1 . . . . 699 HIS HA . 16439 1 133 . 1 1 16 16 HIS HB2 H 1 1.489 0.010 . 2 . . . . 699 HIS HB2 . 16439 1 134 . 1 1 16 16 HIS HB3 H 1 2.698 0.008 . 2 . . . . 699 HIS HB3 . 16439 1 135 . 1 1 16 16 HIS HD2 H 1 6.892 0.004 . 1 . . . . 699 HIS HD2 . 16439 1 136 . 1 1 16 16 HIS C C 13 179.064 0.011 . 1 . . . . 699 HIS C . 16439 1 137 . 1 1 16 16 HIS CA C 13 56.236 0.050 . 1 . . . . 699 HIS CA . 16439 1 138 . 1 1 16 16 HIS CB C 13 25.765 0.075 . 1 . . . . 699 HIS CB . 16439 1 139 . 1 1 16 16 HIS CD2 C 13 120.871 0.064 . 1 . . . . 699 HIS CD2 . 16439 1 140 . 1 1 16 16 HIS N N 15 117.242 0.058 . 1 . . . . 699 HIS N . 16439 1 141 . 1 1 17 17 GLY H H 1 7.688 0.007 . 1 . . . . 700 GLY H . 16439 1 142 . 1 1 17 17 GLY HA2 H 1 3.961 0.006 . 2 . . . . 700 GLY HA2 . 16439 1 143 . 1 1 17 17 GLY HA3 H 1 4.543 0.004 . 2 . . . . 700 GLY HA3 . 16439 1 144 . 1 1 17 17 GLY C C 13 180.086 0.001 . 1 . . . . 700 GLY C . 16439 1 145 . 1 1 17 17 GLY CA C 13 46.118 0.085 . 1 . . . . 700 GLY CA . 16439 1 146 . 1 1 17 17 GLY N N 15 105.264 0.050 . 1 . . . . 700 GLY N . 16439 1 147 . 1 1 18 18 TRP H H 1 8.663 0.007 . 1 . . . . 701 TRP H . 16439 1 148 . 1 1 18 18 TRP HA H 1 5.042 0.012 . 1 . . . . 701 TRP HA . 16439 1 149 . 1 1 18 18 TRP HB2 H 1 3.167 0.010 . 2 . . . . 701 TRP HB2 . 16439 1 150 . 1 1 18 18 TRP HB3 H 1 3.378 0.010 . 2 . . . . 701 TRP HB3 . 16439 1 151 . 1 1 18 18 TRP HD1 H 1 6.868 0.006 . 1 . . . . 701 TRP HD1 . 16439 1 152 . 1 1 18 18 TRP HE1 H 1 9.850 0.002 . 1 . . . . 701 TRP HE1 . 16439 1 153 . 1 1 18 18 TRP HE3 H 1 7.316 0.002 . 1 . . . . 701 TRP HE3 . 16439 1 154 . 1 1 18 18 TRP HH2 H 1 7.046 0.004 . 1 . . . . 701 TRP HH2 . 16439 1 155 . 1 1 18 18 TRP HZ2 H 1 7.258 0.004 . 1 . . . . 701 TRP HZ2 . 16439 1 156 . 1 1 18 18 TRP C C 13 178.690 0.002 . 1 . . . . 701 TRP C . 16439 1 157 . 1 1 18 18 TRP CA C 13 56.426 0.032 . 1 . . . . 701 TRP CA . 16439 1 158 . 1 1 18 18 TRP CB C 13 30.725 0.045 . 1 . . . . 701 TRP CB . 16439 1 159 . 1 1 18 18 TRP CD1 C 13 127.763 0.086 . 1 . . . . 701 TRP CD1 . 16439 1 160 . 1 1 18 18 TRP CE3 C 13 121.278 0.067 . 1 . . . . 701 TRP CE3 . 16439 1 161 . 1 1 18 18 TRP CH2 C 13 124.040 0.055 . 1 . . . . 701 TRP CH2 . 16439 1 162 . 1 1 18 18 TRP CZ2 C 13 113.885 0.072 . 1 . . . . 701 TRP CZ2 . 16439 1 163 . 1 1 18 18 TRP N N 15 116.816 0.040 . 1 . . . . 701 TRP N . 16439 1 164 . 1 1 18 18 TRP NE1 N 15 128.809 0.027 . 1 . . . . 701 TRP NE1 . 16439 1 165 . 1 1 19 19 ALA H H 1 8.588 0.008 . 1 . . . . 702 ALA H . 16439 1 166 . 1 1 19 19 ALA HA H 1 4.049 0.007 . 1 . . . . 702 ALA HA . 16439 1 167 . 1 1 19 19 ALA HB1 H 1 0.783 0.011 . 1 . . . . 702 ALA HB1 . 16439 1 168 . 1 1 19 19 ALA HB2 H 1 0.783 0.011 . 1 . . . . 702 ALA HB2 . 16439 1 169 . 1 1 19 19 ALA HB3 H 1 0.783 0.011 . 1 . . . . 702 ALA HB3 . 16439 1 170 . 1 1 19 19 ALA C C 13 173.806 0.006 . 1 . . . . 702 ALA C . 16439 1 171 . 1 1 19 19 ALA CA C 13 50.751 0.051 . 1 . . . . 702 ALA CA . 16439 1 172 . 1 1 19 19 ALA CB C 13 20.075 0.048 . 1 . . . . 702 ALA CB . 16439 1 173 . 1 1 19 19 ALA N N 15 123.585 0.046 . 1 . . . . 702 ALA N . 16439 1 174 . 1 1 20 20 GLN H H 1 8.367 0.007 . 1 . . . . 703 GLN H . 16439 1 175 . 1 1 20 20 GLN HA H 1 4.190 0.008 . 1 . . . . 703 GLN HA . 16439 1 176 . 1 1 20 20 GLN HB2 H 1 1.913 0.038 . 2 . . . . 703 GLN HB2 . 16439 1 177 . 1 1 20 20 GLN HB3 H 1 2.042 0.014 . 2 . . . . 703 GLN HB3 . 16439 1 178 . 1 1 20 20 GLN HE21 H 1 6.832 0.003 . 1 . . . . 703 GLN HE21 . 16439 1 179 . 1 1 20 20 GLN HE22 H 1 7.445 0.004 . 1 . . . . 703 GLN HE22 . 16439 1 180 . 1 1 20 20 GLN HG2 H 1 2.197 0.009 . 1 . . . . 703 GLN HG2 . 16439 1 181 . 1 1 20 20 GLN C C 13 176.521 0.004 . 1 . . . . 703 GLN C . 16439 1 182 . 1 1 20 20 GLN CA C 13 55.705 0.092 . 1 . . . . 703 GLN CA . 16439 1 183 . 1 1 20 20 GLN CB C 13 28.859 0.120 . 1 . . . . 703 GLN CB . 16439 1 184 . 1 1 20 20 GLN CG C 13 33.663 0.062 . 1 . . . . 703 GLN CG . 16439 1 185 . 1 1 20 20 GLN N N 15 121.293 0.045 . 1 . . . . 703 GLN N . 16439 1 186 . 1 1 20 20 GLN NE2 N 15 111.676 0.184 . 1 . . . . 703 GLN NE2 . 16439 1 187 . 1 1 21 21 LEU H H 1 8.072 0.008 . 1 . . . . 704 LEU H . 16439 1 188 . 1 1 21 21 LEU HA H 1 4.179 0.005 . 1 . . . . 704 LEU HA . 16439 1 189 . 1 1 21 21 LEU HB2 H 1 1.585 0.006 . 1 . . . . 704 LEU HB2 . 16439 1 190 . 1 1 21 21 LEU HD11 H 1 0.870 0.002 . 2 . . . . 704 LEU HD11 . 16439 1 191 . 1 1 21 21 LEU HD12 H 1 0.870 0.002 . 2 . . . . 704 LEU HD12 . 16439 1 192 . 1 1 21 21 LEU HD13 H 1 0.870 0.002 . 2 . . . . 704 LEU HD13 . 16439 1 193 . 1 1 21 21 LEU HD21 H 1 0.920 0.004 . 2 . . . . 704 LEU HD21 . 16439 1 194 . 1 1 21 21 LEU HD22 H 1 0.920 0.004 . 2 . . . . 704 LEU HD22 . 16439 1 195 . 1 1 21 21 LEU HD23 H 1 0.920 0.004 . 2 . . . . 704 LEU HD23 . 16439 1 196 . 1 1 21 21 LEU HG H 1 1.580 0.007 . 1 . . . . 704 LEU HG . 16439 1 197 . 1 1 21 21 LEU C C 13 175.649 0.014 . 1 . . . . 704 LEU C . 16439 1 198 . 1 1 21 21 LEU CA C 13 56.391 0.072 . 1 . . . . 704 LEU CA . 16439 1 199 . 1 1 21 21 LEU CB C 13 42.334 0.044 . 1 . . . . 704 LEU CB . 16439 1 200 . 1 1 21 21 LEU CD1 C 13 21.843 0.020 . 2 . . . . 704 LEU CD1 . 16439 1 201 . 1 1 21 21 LEU CD2 C 13 24.312 0.018 . 2 . . . . 704 LEU CD2 . 16439 1 202 . 1 1 21 21 LEU CG C 13 26.908 0.077 . 1 . . . . 704 LEU CG . 16439 1 203 . 1 1 21 21 LEU N N 15 122.247 0.044 . 1 . . . . 704 LEU N . 16439 1 204 . 1 1 22 22 SER H H 1 8.102 0.005 . 1 . . . . 705 SER H . 16439 1 205 . 1 1 22 22 SER HA H 1 4.678 0.003 . 1 . . . . 705 SER HA . 16439 1 206 . 1 1 22 22 SER HB2 H 1 3.905 0.011 . 2 . . . . 705 SER HB2 . 16439 1 207 . 1 1 22 22 SER HB3 H 1 4.066 0.008 . 2 . . . . 705 SER HB3 . 16439 1 208 . 1 1 22 22 SER C C 13 178.742 0.008 . 1 . . . . 705 SER C . 16439 1 209 . 1 1 22 22 SER CA C 13 57.705 0.051 . 1 . . . . 705 SER CA . 16439 1 210 . 1 1 22 22 SER CB C 13 64.891 0.049 . 1 . . . . 705 SER CB . 16439 1 211 . 1 1 22 22 SER N N 15 118.752 0.044 . 1 . . . . 705 SER N . 16439 1 212 . 1 1 23 23 SER H H 1 8.698 0.006 . 1 . . . . 706 SER H . 16439 1 213 . 1 1 23 23 SER HA H 1 4.977 0.011 . 1 . . . . 706 SER HA . 16439 1 214 . 1 1 23 23 SER HB2 H 1 3.660 0.003 . 2 . . . . 706 SER HB2 . 16439 1 215 . 1 1 23 23 SER HB3 H 1 3.813 0.006 . 2 . . . . 706 SER HB3 . 16439 1 216 . 1 1 23 23 SER C C 13 181.583 0.000 . 1 . . . . 706 SER C . 16439 1 217 . 1 1 23 23 SER CA C 13 55.657 0.080 . 1 . . . . 706 SER CA . 16439 1 218 . 1 1 23 23 SER CB C 13 64.371 0.052 . 1 . . . . 706 SER CB . 16439 1 219 . 1 1 23 23 SER N N 15 117.464 0.031 . 1 . . . . 706 SER N . 16439 1 220 . 1 1 24 24 PRO HA H 1 3.121 0.007 . 1 . . . . 707 PRO HA . 16439 1 221 . 1 1 24 24 PRO HB2 H 1 1.684 0.004 . 2 . . . . 707 PRO HB2 . 16439 1 222 . 1 1 24 24 PRO HB3 H 1 1.927 0.008 . 2 . . . . 707 PRO HB3 . 16439 1 223 . 1 1 24 24 PRO HD2 H 1 3.673 0.009 . 1 . . . . 707 PRO HD2 . 16439 1 224 . 1 1 24 24 PRO HG2 H 1 1.814 0.011 . 2 . . . . 707 PRO HG2 . 16439 1 225 . 1 1 24 24 PRO HG3 H 1 1.987 0.011 . 2 . . . . 707 PRO HG3 . 16439 1 226 . 1 1 24 24 PRO CA C 13 61.081 0.080 . 1 . . . . 707 PRO CA . 16439 1 227 . 1 1 24 24 PRO CB C 13 30.551 0.052 . 1 . . . . 707 PRO CB . 16439 1 228 . 1 1 24 24 PRO CD C 13 50.482 0.046 . 1 . . . . 707 PRO CD . 16439 1 229 . 1 1 24 24 PRO CG C 13 26.350 0.080 . 1 . . . . 707 PRO CG . 16439 1 230 . 1 1 25 25 PRO HA H 1 4.016 0.005 . 1 . . . . 708 PRO HA . 16439 1 231 . 1 1 25 25 PRO HB2 H 1 1.174 0.008 . 2 . . . . 708 PRO HB2 . 16439 1 232 . 1 1 25 25 PRO HB3 H 1 2.019 0.008 . 2 . . . . 708 PRO HB3 . 16439 1 233 . 1 1 25 25 PRO HD2 H 1 3.400 0.009 . 1 . . . . 708 PRO HD2 . 16439 1 234 . 1 1 25 25 PRO HG2 H 1 1.676 0.007 . 1 . . . . 708 PRO HG2 . 16439 1 235 . 1 1 25 25 PRO C C 13 178.136 0.001 . 1 . . . . 708 PRO C . 16439 1 236 . 1 1 25 25 PRO CA C 13 61.301 0.058 . 1 . . . . 708 PRO CA . 16439 1 237 . 1 1 25 25 PRO CB C 13 34.742 0.053 . 1 . . . . 708 PRO CB . 16439 1 238 . 1 1 25 25 PRO CD C 13 50.726 0.079 . 1 . . . . 708 PRO CD . 16439 1 239 . 1 1 25 25 PRO CG C 13 24.755 0.043 . 1 . . . . 708 PRO CG . 16439 1 240 . 1 1 26 26 TYR H H 1 8.330 0.005 . 1 . . . . 709 TYR H . 16439 1 241 . 1 1 26 26 TYR HA H 1 4.921 0.005 . 1 . . . . 709 TYR HA . 16439 1 242 . 1 1 26 26 TYR HB2 H 1 2.813 0.012 . 2 . . . . 709 TYR HB2 . 16439 1 243 . 1 1 26 26 TYR HB3 H 1 2.935 0.008 . 2 . . . . 709 TYR HB3 . 16439 1 244 . 1 1 26 26 TYR HD1 H 1 7.309 0.006 . 3 . . . . 709 TYR HD1 . 16439 1 245 . 1 1 26 26 TYR HD2 H 1 7.309 0.006 . 3 . . . . 709 TYR HD2 . 16439 1 246 . 1 1 26 26 TYR HE1 H 1 6.688 0.004 . 3 . . . . 709 TYR HE1 . 16439 1 247 . 1 1 26 26 TYR HE2 H 1 6.688 0.004 . 3 . . . . 709 TYR HE2 . 16439 1 248 . 1 1 26 26 TYR C C 13 177.649 0.011 . 1 . . . . 709 TYR C . 16439 1 249 . 1 1 26 26 TYR CA C 13 56.068 0.073 . 1 . . . . 709 TYR CA . 16439 1 250 . 1 1 26 26 TYR CB C 13 39.603 0.061 . 1 . . . . 709 TYR CB . 16439 1 251 . 1 1 26 26 TYR CD1 C 13 133.516 0.056 . 3 . . . . 709 TYR CD1 . 16439 1 252 . 1 1 26 26 TYR CD2 C 13 133.516 0.056 . 3 . . . . 709 TYR CD2 . 16439 1 253 . 1 1 26 26 TYR CE1 C 13 118.000 0.086 . 3 . . . . 709 TYR CE1 . 16439 1 254 . 1 1 26 26 TYR CE2 C 13 118.000 0.086 . 3 . . . . 709 TYR CE2 . 16439 1 255 . 1 1 26 26 TYR N N 15 121.120 0.034 . 1 . . . . 709 TYR N . 16439 1 256 . 1 1 27 27 TYR H H 1 8.829 0.007 . 1 . . . . 710 TYR H . 16439 1 257 . 1 1 27 27 TYR HA H 1 4.816 0.013 . 1 . . . . 710 TYR HA . 16439 1 258 . 1 1 27 27 TYR HB2 H 1 2.690 0.009 . 2 . . . . 710 TYR HB2 . 16439 1 259 . 1 1 27 27 TYR HB3 H 1 3.132 0.008 . 2 . . . . 710 TYR HB3 . 16439 1 260 . 1 1 27 27 TYR HD1 H 1 7.183 0.006 . 3 . . . . 710 TYR HD1 . 16439 1 261 . 1 1 27 27 TYR HD2 H 1 7.183 0.006 . 3 . . . . 710 TYR HD2 . 16439 1 262 . 1 1 27 27 TYR HE1 H 1 6.645 0.004 . 3 . . . . 710 TYR HE1 . 16439 1 263 . 1 1 27 27 TYR HE2 H 1 6.645 0.004 . 3 . . . . 710 TYR HE2 . 16439 1 264 . 1 1 27 27 TYR C C 13 175.840 0.010 . 1 . . . . 710 TYR C . 16439 1 265 . 1 1 27 27 TYR CA C 13 57.132 0.061 . 1 . . . . 710 TYR CA . 16439 1 266 . 1 1 27 27 TYR CB C 13 39.949 0.074 . 1 . . . . 710 TYR CB . 16439 1 267 . 1 1 27 27 TYR CD1 C 13 133.501 0.071 . 3 . . . . 710 TYR CD1 . 16439 1 268 . 1 1 27 27 TYR CD2 C 13 133.501 0.071 . 3 . . . . 710 TYR CD2 . 16439 1 269 . 1 1 27 27 TYR CE1 C 13 117.587 0.085 . 3 . . . . 710 TYR CE1 . 16439 1 270 . 1 1 27 27 TYR CE2 C 13 117.587 0.085 . 3 . . . . 710 TYR CE2 . 16439 1 271 . 1 1 27 27 TYR N N 15 122.925 0.029 . 1 . . . . 710 TYR N . 16439 1 272 . 1 1 28 28 TYR H H 1 8.003 0.015 . 1 . . . . 711 TYR H . 16439 1 273 . 1 1 28 28 TYR HA H 1 4.125 0.006 . 1 . . . . 711 TYR HA . 16439 1 274 . 1 1 28 28 TYR HB2 H 1 3.038 0.021 . 2 . . . . 711 TYR HB2 . 16439 1 275 . 1 1 28 28 TYR HB3 H 1 3.154 0.019 . 2 . . . . 711 TYR HB3 . 16439 1 276 . 1 1 28 28 TYR HD1 H 1 6.951 0.007 . 3 . . . . 711 TYR HD1 . 16439 1 277 . 1 1 28 28 TYR HD2 H 1 6.951 0.007 . 3 . . . . 711 TYR HD2 . 16439 1 278 . 1 1 28 28 TYR HE1 H 1 6.534 0.004 . 3 . . . . 711 TYR HE1 . 16439 1 279 . 1 1 28 28 TYR HE2 H 1 6.534 0.004 . 3 . . . . 711 TYR HE2 . 16439 1 280 . 1 1 28 28 TYR C C 13 174.301 0.003 . 1 . . . . 711 TYR C . 16439 1 281 . 1 1 28 28 TYR CA C 13 57.387 0.069 . 1 . . . . 711 TYR CA . 16439 1 282 . 1 1 28 28 TYR CB C 13 35.812 0.058 . 1 . . . . 711 TYR CB . 16439 1 283 . 1 1 28 28 TYR CD1 C 13 131.743 0.117 . 3 . . . . 711 TYR CD1 . 16439 1 284 . 1 1 28 28 TYR CD2 C 13 131.743 0.117 . 3 . . . . 711 TYR CD2 . 16439 1 285 . 1 1 28 28 TYR CE1 C 13 117.733 0.075 . 3 . . . . 711 TYR CE1 . 16439 1 286 . 1 1 28 28 TYR CE2 C 13 117.733 0.075 . 3 . . . . 711 TYR CE2 . 16439 1 287 . 1 1 28 28 TYR N N 15 118.878 0.072 . 1 . . . . 711 TYR N . 16439 1 288 . 1 1 29 29 GLY H H 1 9.658 0.011 . 1 . . . . 712 GLY H . 16439 1 289 . 1 1 29 29 GLY HA2 H 1 3.370 0.009 . 2 . . . . 712 GLY HA2 . 16439 1 290 . 1 1 29 29 GLY HA3 H 1 4.405 0.008 . 2 . . . . 712 GLY HA3 . 16439 1 291 . 1 1 29 29 GLY C C 13 177.605 0.006 . 1 . . . . 712 GLY C . 16439 1 292 . 1 1 29 29 GLY CA C 13 44.910 0.066 . 1 . . . . 712 GLY CA . 16439 1 293 . 1 1 29 29 GLY N N 15 114.570 0.073 . 1 . . . . 712 GLY N . 16439 1 294 . 1 1 30 30 ASP H H 1 8.510 0.003 . 1 . . . . 713 ASP H . 16439 1 295 . 1 1 30 30 ASP HA H 1 4.802 0.007 . 1 . . . . 713 ASP HA . 16439 1 296 . 1 1 30 30 ASP HB2 H 1 2.969 0.012 . 2 . . . . 713 ASP HB2 . 16439 1 297 . 1 1 30 30 ASP HB3 H 1 3.198 0.010 . 2 . . . . 713 ASP HB3 . 16439 1 298 . 1 1 30 30 ASP C C 13 176.489 0.002 . 1 . . . . 713 ASP C . 16439 1 299 . 1 1 30 30 ASP CA C 13 55.645 0.054 . 1 . . . . 713 ASP CA . 16439 1 300 . 1 1 30 30 ASP CB C 13 41.366 0.075 . 1 . . . . 713 ASP CB . 16439 1 301 . 1 1 30 30 ASP N N 15 123.262 0.041 . 1 . . . . 713 ASP N . 16439 1 302 . 1 1 31 31 SER H H 1 8.588 0.005 . 1 . . . . 714 SER H . 16439 1 303 . 1 1 31 31 SER HA H 1 6.074 0.005 . 1 . . . . 714 SER HA . 16439 1 304 . 1 1 31 31 SER HB2 H 1 3.727 0.015 . 2 . . . . 714 SER HB2 . 16439 1 305 . 1 1 31 31 SER HB3 H 1 3.787 0.012 . 2 . . . . 714 SER HB3 . 16439 1 306 . 1 1 31 31 SER C C 13 178.498 0.004 . 1 . . . . 714 SER C . 16439 1 307 . 1 1 31 31 SER CA C 13 57.009 0.035 . 1 . . . . 714 SER CA . 16439 1 308 . 1 1 31 31 SER CB C 13 67.283 0.060 . 1 . . . . 714 SER CB . 16439 1 309 . 1 1 31 31 SER N N 15 113.260 0.051 . 1 . . . . 714 SER N . 16439 1 310 . 1 1 32 32 VAL H H 1 8.597 0.005 . 1 . . . . 715 VAL H . 16439 1 311 . 1 1 32 32 VAL HA H 1 4.130 0.007 . 1 . . . . 715 VAL HA . 16439 1 312 . 1 1 32 32 VAL HB H 1 1.237 0.007 . 1 . . . . 715 VAL HB . 16439 1 313 . 1 1 32 32 VAL HG11 H 1 0.293 0.003 . 2 . . . . 715 VAL HG11 . 16439 1 314 . 1 1 32 32 VAL HG12 H 1 0.293 0.003 . 2 . . . . 715 VAL HG12 . 16439 1 315 . 1 1 32 32 VAL HG13 H 1 0.293 0.003 . 2 . . . . 715 VAL HG13 . 16439 1 316 . 1 1 32 32 VAL HG21 H 1 0.426 0.007 . 2 . . . . 715 VAL HG21 . 16439 1 317 . 1 1 32 32 VAL HG22 H 1 0.426 0.007 . 2 . . . . 715 VAL HG22 . 16439 1 318 . 1 1 32 32 VAL HG23 H 1 0.426 0.007 . 2 . . . . 715 VAL HG23 . 16439 1 319 . 1 1 32 32 VAL CA C 13 61.422 0.053 . 1 . . . . 715 VAL CA . 16439 1 320 . 1 1 32 32 VAL CB C 13 35.560 0.076 . 1 . . . . 715 VAL CB . 16439 1 321 . 1 1 32 32 VAL CG1 C 13 21.170 0.062 . 2 . . . . 715 VAL CG1 . 16439 1 322 . 1 1 32 32 VAL CG2 C 13 21.380 0.082 . 2 . . . . 715 VAL CG2 . 16439 1 323 . 1 1 32 32 VAL N N 15 122.805 0.045 . 1 . . . . 715 VAL N . 16439 1 324 . 1 1 33 33 GLU H H 1 8.210 0.009 . 1 . . . . 716 GLU H . 16439 1 325 . 1 1 33 33 GLU HA H 1 4.756 0.007 . 1 . . . . 716 GLU HA . 16439 1 326 . 1 1 33 33 GLU HB2 H 1 1.711 0.010 . 2 . . . . 716 GLU HB2 . 16439 1 327 . 1 1 33 33 GLU HB3 H 1 1.712 0.005 . 2 . . . . 716 GLU HB3 . 16439 1 328 . 1 1 33 33 GLU HG2 H 1 2.067 0.010 . 1 . . . . 716 GLU HG2 . 16439 1 329 . 1 1 33 33 GLU C C 13 177.198 0.014 . 1 . . . . 716 GLU C . 16439 1 330 . 1 1 33 33 GLU CA C 13 55.182 0.049 . 1 . . . . 716 GLU CA . 16439 1 331 . 1 1 33 33 GLU CB C 13 32.441 0.070 . 1 . . . . 716 GLU CB . 16439 1 332 . 1 1 33 33 GLU CG C 13 36.957 0.064 . 1 . . . . 716 GLU CG . 16439 1 333 . 1 1 33 33 GLU N N 15 124.351 0.056 . 1 . . . . 716 GLU N . 16439 1 334 . 1 1 34 34 PHE H H 1 8.208 0.004 . 1 . . . . 717 PHE H . 16439 1 335 . 1 1 34 34 PHE HA H 1 4.914 0.008 . 1 . . . . 717 PHE HA . 16439 1 336 . 1 1 34 34 PHE HB2 H 1 2.526 0.014 . 1 . . . . 717 PHE HB2 . 16439 1 337 . 1 1 34 34 PHE HD1 H 1 6.843 0.012 . 3 . . . . 717 PHE HD1 . 16439 1 338 . 1 1 34 34 PHE HD2 H 1 6.843 0.012 . 3 . . . . 717 PHE HD2 . 16439 1 339 . 1 1 34 34 PHE C C 13 177.411 0.016 . 1 . . . . 717 PHE C . 16439 1 340 . 1 1 34 34 PHE CA C 13 57.102 0.014 . 1 . . . . 717 PHE CA . 16439 1 341 . 1 1 34 34 PHE CB C 13 43.469 0.082 . 1 . . . . 717 PHE CB . 16439 1 342 . 1 1 34 34 PHE CD1 C 13 131.489 0.058 . 3 . . . . 717 PHE CD1 . 16439 1 343 . 1 1 34 34 PHE CD2 C 13 131.489 0.058 . 3 . . . . 717 PHE CD2 . 16439 1 344 . 1 1 34 34 PHE N N 15 118.844 0.044 . 1 . . . . 717 PHE N . 16439 1 345 . 1 1 35 35 ASN H H 1 8.420 0.003 . 1 . . . . 718 ASN H . 16439 1 346 . 1 1 35 35 ASN HA H 1 4.510 0.009 . 1 . . . . 718 ASN HA . 16439 1 347 . 1 1 35 35 ASN HB2 H 1 0.995 0.014 . 2 . . . . 718 ASN HB2 . 16439 1 348 . 1 1 35 35 ASN HB3 H 1 1.815 0.005 . 2 . . . . 718 ASN HB3 . 16439 1 349 . 1 1 35 35 ASN HD21 H 1 6.819 0.002 . 1 . . . . 718 ASN HD21 . 16439 1 350 . 1 1 35 35 ASN HD22 H 1 7.205 0.001 . 1 . . . . 718 ASN HD22 . 16439 1 351 . 1 1 35 35 ASN C C 13 178.204 0.008 . 1 . . . . 718 ASN C . 16439 1 352 . 1 1 35 35 ASN CA C 13 51.487 0.073 . 1 . . . . 718 ASN CA . 16439 1 353 . 1 1 35 35 ASN CB C 13 42.199 0.053 . 1 . . . . 718 ASN CB . 16439 1 354 . 1 1 35 35 ASN N N 15 116.517 0.050 . 1 . . . . 718 ASN N . 16439 1 355 . 1 1 35 35 ASN ND2 N 15 112.423 0.055 . 1 . . . . 718 ASN ND2 . 16439 1 356 . 1 1 36 36 CYS H H 1 8.362 0.003 . 1 . . . . 719 CYS H . 16439 1 357 . 1 1 36 36 CYS HA H 1 5.137 0.013 . 1 . . . . 719 CYS HA . 16439 1 358 . 1 1 36 36 CYS HB2 H 1 2.598 0.007 . 2 . . . . 719 CYS HB2 . 16439 1 359 . 1 1 36 36 CYS HB3 H 1 3.039 0.004 . 2 . . . . 719 CYS HB3 . 16439 1 360 . 1 1 36 36 CYS C C 13 176.899 0.021 . 1 . . . . 719 CYS C . 16439 1 361 . 1 1 36 36 CYS CA C 13 53.612 0.078 . 1 . . . . 719 CYS CA . 16439 1 362 . 1 1 36 36 CYS CB C 13 40.166 0.063 . 1 . . . . 719 CYS CB . 16439 1 363 . 1 1 36 36 CYS N N 15 114.731 0.025 . 1 . . . . 719 CYS N . 16439 1 364 . 1 1 37 37 SER H H 1 8.978 0.004 . 1 . . . . 720 SER H . 16439 1 365 . 1 1 37 37 SER HA H 1 4.593 0.004 . 1 . . . . 720 SER HA . 16439 1 366 . 1 1 37 37 SER HB2 H 1 3.774 0.006 . 2 . . . . 720 SER HB2 . 16439 1 367 . 1 1 37 37 SER HB3 H 1 4.106 0.004 . 2 . . . . 720 SER HB3 . 16439 1 368 . 1 1 37 37 SER C C 13 179.199 0.000 . 1 . . . . 720 SER C . 16439 1 369 . 1 1 37 37 SER CA C 13 59.655 0.110 . 1 . . . . 720 SER CA . 16439 1 370 . 1 1 37 37 SER CB C 13 64.147 0.035 . 1 . . . . 720 SER CB . 16439 1 371 . 1 1 37 37 SER N N 15 118.685 0.049 . 1 . . . . 720 SER N . 16439 1 372 . 1 1 38 38 GLU H H 1 8.717 0.009 . 1 . . . . 721 GLU H . 16439 1 373 . 1 1 38 38 GLU HA H 1 4.217 0.005 . 1 . . . . 721 GLU HA . 16439 1 374 . 1 1 38 38 GLU HB2 H 1 2.063 0.009 . 2 . . . . 721 GLU HB2 . 16439 1 375 . 1 1 38 38 GLU HB3 H 1 2.128 0.031 . 2 . . . . 721 GLU HB3 . 16439 1 376 . 1 1 38 38 GLU HG2 H 1 2.401 0.016 . 1 . . . . 721 GLU HG2 . 16439 1 377 . 1 1 38 38 GLU C C 13 174.450 0.002 . 1 . . . . 721 GLU C . 16439 1 378 . 1 1 38 38 GLU CA C 13 58.755 0.079 . 1 . . . . 721 GLU CA . 16439 1 379 . 1 1 38 38 GLU CB C 13 29.816 0.051 . 1 . . . . 721 GLU CB . 16439 1 380 . 1 1 38 38 GLU CG C 13 35.998 0.097 . 1 . . . . 721 GLU CG . 16439 1 381 . 1 1 38 38 GLU N N 15 121.506 0.030 . 1 . . . . 721 GLU N . 16439 1 382 . 1 1 39 39 SER H H 1 8.888 0.006 . 1 . . . . 722 SER H . 16439 1 383 . 1 1 39 39 SER HA H 1 4.765 0.000 . 1 . . . . 722 SER HA . 16439 1 384 . 1 1 39 39 SER HB2 H 1 3.823 0.004 . 2 . . . . 722 SER HB2 . 16439 1 385 . 1 1 39 39 SER HB3 H 1 4.014 0.007 . 2 . . . . 722 SER HB3 . 16439 1 386 . 1 1 39 39 SER C C 13 179.478 0.014 . 1 . . . . 722 SER C . 16439 1 387 . 1 1 39 39 SER CA C 13 58.613 0.003 . 1 . . . . 722 SER CA . 16439 1 388 . 1 1 39 39 SER CB C 13 61.294 0.058 . 1 . . . . 722 SER CB . 16439 1 389 . 1 1 39 39 SER N N 15 116.345 0.039 . 1 . . . . 722 SER N . 16439 1 390 . 1 1 40 40 PHE H H 1 8.350 0.006 . 1 . . . . 723 PHE H . 16439 1 391 . 1 1 40 40 PHE HA H 1 4.817 0.006 . 1 . . . . 723 PHE HA . 16439 1 392 . 1 1 40 40 PHE HB2 H 1 2.437 0.003 . 2 . . . . 723 PHE HB2 . 16439 1 393 . 1 1 40 40 PHE HB3 H 1 3.281 0.009 . 2 . . . . 723 PHE HB3 . 16439 1 394 . 1 1 40 40 PHE HD1 H 1 6.743 0.009 . 3 . . . . 723 PHE HD1 . 16439 1 395 . 1 1 40 40 PHE HD2 H 1 6.743 0.009 . 3 . . . . 723 PHE HD2 . 16439 1 396 . 1 1 40 40 PHE HE1 H 1 6.797 0.012 . 3 . . . . 723 PHE HE1 . 16439 1 397 . 1 1 40 40 PHE HE2 H 1 6.797 0.012 . 3 . . . . 723 PHE HE2 . 16439 1 398 . 1 1 40 40 PHE C C 13 177.864 0.003 . 1 . . . . 723 PHE C . 16439 1 399 . 1 1 40 40 PHE CA C 13 56.996 0.055 . 1 . . . . 723 PHE CA . 16439 1 400 . 1 1 40 40 PHE CB C 13 41.547 0.071 . 1 . . . . 723 PHE CB . 16439 1 401 . 1 1 40 40 PHE CD1 C 13 131.681 0.054 . 3 . . . . 723 PHE CD1 . 16439 1 402 . 1 1 40 40 PHE CD2 C 13 131.681 0.054 . 3 . . . . 723 PHE CD2 . 16439 1 403 . 1 1 40 40 PHE CE1 C 13 130.495 0.060 . 3 . . . . 723 PHE CE1 . 16439 1 404 . 1 1 40 40 PHE CE2 C 13 130.495 0.060 . 3 . . . . 723 PHE CE2 . 16439 1 405 . 1 1 40 40 PHE N N 15 120.349 0.034 . 1 . . . . 723 PHE N . 16439 1 406 . 1 1 41 41 THR H H 1 9.369 0.005 . 1 . . . . 724 THR H . 16439 1 407 . 1 1 41 41 THR HA H 1 4.602 0.009 . 1 . . . . 724 THR HA . 16439 1 408 . 1 1 41 41 THR HB H 1 3.722 0.005 . 1 . . . . 724 THR HB . 16439 1 409 . 1 1 41 41 THR HG21 H 1 1.030 0.006 . 1 . . . . 724 THR HG21 . 16439 1 410 . 1 1 41 41 THR HG22 H 1 1.030 0.006 . 1 . . . . 724 THR HG22 . 16439 1 411 . 1 1 41 41 THR HG23 H 1 1.030 0.006 . 1 . . . . 724 THR HG23 . 16439 1 412 . 1 1 41 41 THR C C 13 179.959 0.002 . 1 . . . . 724 THR C . 16439 1 413 . 1 1 41 41 THR CA C 13 60.721 0.043 . 1 . . . . 724 THR CA . 16439 1 414 . 1 1 41 41 THR CB C 13 71.049 0.068 . 1 . . . . 724 THR CB . 16439 1 415 . 1 1 41 41 THR CG2 C 13 20.358 0.067 . 1 . . . . 724 THR CG2 . 16439 1 416 . 1 1 41 41 THR N N 15 117.771 0.024 . 1 . . . . 724 THR N . 16439 1 417 . 1 1 42 42 MET H H 1 8.415 0.004 . 1 . . . . 725 MET H . 16439 1 418 . 1 1 42 42 MET HA H 1 4.910 0.004 . 1 . . . . 725 MET HA . 16439 1 419 . 1 1 42 42 MET HB2 H 1 2.000 0.022 . 1 . . . . 725 MET HB2 . 16439 1 420 . 1 1 42 42 MET HE1 H 1 1.768 0.003 . 1 . . . . 725 MET HE1 . 16439 1 421 . 1 1 42 42 MET HE2 H 1 1.768 0.003 . 1 . . . . 725 MET HE2 . 16439 1 422 . 1 1 42 42 MET HE3 H 1 1.768 0.003 . 1 . . . . 725 MET HE3 . 16439 1 423 . 1 1 42 42 MET HG2 H 1 2.276 0.005 . 1 . . . . 725 MET HG2 . 16439 1 424 . 1 1 42 42 MET C C 13 176.080 0.002 . 1 . . . . 725 MET C . 16439 1 425 . 1 1 42 42 MET CA C 13 56.438 0.034 . 1 . . . . 725 MET CA . 16439 1 426 . 1 1 42 42 MET CB C 13 34.721 0.064 . 1 . . . . 725 MET CB . 16439 1 427 . 1 1 42 42 MET CE C 13 16.900 0.036 . 1 . . . . 725 MET CE . 16439 1 428 . 1 1 42 42 MET CG C 13 32.329 0.075 . 1 . . . . 725 MET CG . 16439 1 429 . 1 1 42 42 MET N N 15 127.580 0.028 . 1 . . . . 725 MET N . 16439 1 430 . 1 1 43 43 ILE H H 1 9.379 0.004 . 1 . . . . 726 ILE H . 16439 1 431 . 1 1 43 43 ILE HA H 1 4.319 0.008 . 1 . . . . 726 ILE HA . 16439 1 432 . 1 1 43 43 ILE HB H 1 1.834 0.012 . 1 . . . . 726 ILE HB . 16439 1 433 . 1 1 43 43 ILE HD11 H 1 0.623 0.006 . 1 . . . . 726 ILE HD11 . 16439 1 434 . 1 1 43 43 ILE HD12 H 1 0.623 0.006 . 1 . . . . 726 ILE HD12 . 16439 1 435 . 1 1 43 43 ILE HD13 H 1 0.623 0.006 . 1 . . . . 726 ILE HD13 . 16439 1 436 . 1 1 43 43 ILE HG12 H 1 1.252 0.012 . 2 . . . . 726 ILE HG12 . 16439 1 437 . 1 1 43 43 ILE HG13 H 1 1.306 0.007 . 2 . . . . 726 ILE HG13 . 16439 1 438 . 1 1 43 43 ILE HG21 H 1 0.837 0.004 . 1 . . . . 726 ILE HG21 . 16439 1 439 . 1 1 43 43 ILE HG22 H 1 0.837 0.004 . 1 . . . . 726 ILE HG22 . 16439 1 440 . 1 1 43 43 ILE HG23 H 1 0.837 0.004 . 1 . . . . 726 ILE HG23 . 16439 1 441 . 1 1 43 43 ILE C C 13 176.215 0.029 . 1 . . . . 726 ILE C . 16439 1 442 . 1 1 43 43 ILE CA C 13 60.132 0.039 . 1 . . . . 726 ILE CA . 16439 1 443 . 1 1 43 43 ILE CB C 13 38.231 0.067 . 1 . . . . 726 ILE CB . 16439 1 444 . 1 1 43 43 ILE CD1 C 13 11.972 0.080 . 1 . . . . 726 ILE CD1 . 16439 1 445 . 1 1 43 43 ILE CG1 C 13 26.734 0.115 . 1 . . . . 726 ILE CG1 . 16439 1 446 . 1 1 43 43 ILE CG2 C 13 17.260 0.087 . 1 . . . . 726 ILE CG2 . 16439 1 447 . 1 1 43 43 ILE N N 15 129.786 0.042 . 1 . . . . 726 ILE N . 16439 1 448 . 1 1 44 44 GLY H H 1 8.653 0.005 . 1 . . . . 727 GLY H . 16439 1 449 . 1 1 44 44 GLY HA2 H 1 3.645 0.007 . 2 . . . . 727 GLY HA2 . 16439 1 450 . 1 1 44 44 GLY HA3 H 1 4.488 0.007 . 2 . . . . 727 GLY HA3 . 16439 1 451 . 1 1 44 44 GLY C C 13 179.532 0.001 . 1 . . . . 727 GLY C . 16439 1 452 . 1 1 44 44 GLY CA C 13 42.879 0.067 . 1 . . . . 727 GLY CA . 16439 1 453 . 1 1 44 44 GLY N N 15 116.400 0.054 . 1 . . . . 727 GLY N . 16439 1 454 . 1 1 45 45 HIS H H 1 7.990 0.009 . 1 . . . . 728 HIS H . 16439 1 455 . 1 1 45 45 HIS HA H 1 4.488 0.004 . 1 . . . . 728 HIS HA . 16439 1 456 . 1 1 45 45 HIS HB2 H 1 3.079 0.018 . 2 . . . . 728 HIS HB2 . 16439 1 457 . 1 1 45 45 HIS HB3 H 1 3.196 0.005 . 2 . . . . 728 HIS HB3 . 16439 1 458 . 1 1 45 45 HIS HD2 H 1 7.258 0.002 . 1 . . . . 728 HIS HD2 . 16439 1 459 . 1 1 45 45 HIS C C 13 175.679 0.000 . 1 . . . . 728 HIS C . 16439 1 460 . 1 1 45 45 HIS CA C 13 57.016 0.038 . 1 . . . . 728 HIS CA . 16439 1 461 . 1 1 45 45 HIS CB C 13 31.231 0.052 . 1 . . . . 728 HIS CB . 16439 1 462 . 1 1 45 45 HIS CD2 C 13 119.630 0.040 . 1 . . . . 728 HIS CD2 . 16439 1 463 . 1 1 45 45 HIS N N 15 119.036 0.083 . 1 . . . . 728 HIS N . 16439 1 464 . 1 1 46 46 ARG H H 1 7.791 0.008 . 1 . . . . 729 ARG H . 16439 1 465 . 1 1 46 46 ARG HA H 1 4.288 0.006 . 1 . . . . 729 ARG HA . 16439 1 466 . 1 1 46 46 ARG HB2 H 1 1.754 0.006 . 2 . . . . 729 ARG HB2 . 16439 1 467 . 1 1 46 46 ARG HB3 H 1 2.115 0.014 . 2 . . . . 729 ARG HB3 . 16439 1 468 . 1 1 46 46 ARG HD2 H 1 3.172 0.012 . 1 . . . . 729 ARG HD2 . 16439 1 469 . 1 1 46 46 ARG HG2 H 1 1.532 0.013 . 1 . . . . 729 ARG HG2 . 16439 1 470 . 1 1 46 46 ARG C C 13 177.955 0.004 . 1 . . . . 729 ARG C . 16439 1 471 . 1 1 46 46 ARG CA C 13 57.854 0.052 . 1 . . . . 729 ARG CA . 16439 1 472 . 1 1 46 46 ARG CB C 13 31.017 0.062 . 1 . . . . 729 ARG CB . 16439 1 473 . 1 1 46 46 ARG CD C 13 43.733 0.049 . 1 . . . . 729 ARG CD . 16439 1 474 . 1 1 46 46 ARG CG C 13 26.498 0.000 . 1 . . . . 729 ARG CG . 16439 1 475 . 1 1 46 46 ARG N N 15 119.849 0.029 . 1 . . . . 729 ARG N . 16439 1 476 . 1 1 47 47 SER H H 1 7.127 0.003 . 1 . . . . 730 SER H . 16439 1 477 . 1 1 47 47 SER HA H 1 5.746 0.005 . 1 . . . . 730 SER HA . 16439 1 478 . 1 1 47 47 SER HB2 H 1 3.623 0.006 . 1 . . . . 730 SER HB2 . 16439 1 479 . 1 1 47 47 SER C C 13 177.664 0.036 . 1 . . . . 730 SER C . 16439 1 480 . 1 1 47 47 SER CA C 13 55.728 0.056 . 1 . . . . 730 SER CA . 16439 1 481 . 1 1 47 47 SER CB C 13 66.232 0.063 . 1 . . . . 730 SER CB . 16439 1 482 . 1 1 47 47 SER N N 15 111.750 0.056 . 1 . . . . 730 SER N . 16439 1 483 . 1 1 48 48 ILE H H 1 8.785 0.009 . 1 . . . . 731 ILE H . 16439 1 484 . 1 1 48 48 ILE HA H 1 4.567 0.007 . 1 . . . . 731 ILE HA . 16439 1 485 . 1 1 48 48 ILE HB H 1 2.016 0.007 . 1 . . . . 731 ILE HB . 16439 1 486 . 1 1 48 48 ILE HD11 H 1 0.044 0.005 . 1 . . . . 731 ILE HD11 . 16439 1 487 . 1 1 48 48 ILE HD12 H 1 0.044 0.005 . 1 . . . . 731 ILE HD12 . 16439 1 488 . 1 1 48 48 ILE HD13 H 1 0.044 0.005 . 1 . . . . 731 ILE HD13 . 16439 1 489 . 1 1 48 48 ILE HG12 H 1 1.394 0.005 . 1 . . . . 731 ILE HG12 . 16439 1 490 . 1 1 48 48 ILE HG21 H 1 0.706 0.004 . 1 . . . . 731 ILE HG21 . 16439 1 491 . 1 1 48 48 ILE HG22 H 1 0.706 0.004 . 1 . . . . 731 ILE HG22 . 16439 1 492 . 1 1 48 48 ILE HG23 H 1 0.706 0.004 . 1 . . . . 731 ILE HG23 . 16439 1 493 . 1 1 48 48 ILE C C 13 177.271 0.009 . 1 . . . . 731 ILE C . 16439 1 494 . 1 1 48 48 ILE CA C 13 59.690 0.059 . 1 . . . . 731 ILE CA . 16439 1 495 . 1 1 48 48 ILE CB C 13 40.371 0.092 . 1 . . . . 731 ILE CB . 16439 1 496 . 1 1 48 48 ILE CD1 C 13 13.383 0.071 . 1 . . . . 731 ILE CD1 . 16439 1 497 . 1 1 48 48 ILE CG1 C 13 25.294 0.154 . 1 . . . . 731 ILE CG1 . 16439 1 498 . 1 1 48 48 ILE CG2 C 13 17.903 0.038 . 1 . . . . 731 ILE CG2 . 16439 1 499 . 1 1 48 48 ILE N N 15 114.914 0.037 . 1 . . . . 731 ILE N . 16439 1 500 . 1 1 49 49 THR H H 1 8.918 0.003 . 1 . . . . 732 THR H . 16439 1 501 . 1 1 49 49 THR HA H 1 5.414 0.005 . 1 . . . . 732 THR HA . 16439 1 502 . 1 1 49 49 THR HB H 1 3.659 0.004 . 1 . . . . 732 THR HB . 16439 1 503 . 1 1 49 49 THR HG21 H 1 1.049 0.005 . 1 . . . . 732 THR HG21 . 16439 1 504 . 1 1 49 49 THR HG22 H 1 1.049 0.005 . 1 . . . . 732 THR HG22 . 16439 1 505 . 1 1 49 49 THR HG23 H 1 1.049 0.005 . 1 . . . . 732 THR HG23 . 16439 1 506 . 1 1 49 49 THR C C 13 179.130 0.004 . 1 . . . . 732 THR C . 16439 1 507 . 1 1 49 49 THR CA C 13 61.354 0.047 . 1 . . . . 732 THR CA . 16439 1 508 . 1 1 49 49 THR CB C 13 71.822 0.069 . 1 . . . . 732 THR CB . 16439 1 509 . 1 1 49 49 THR CG2 C 13 21.563 0.066 . 1 . . . . 732 THR CG2 . 16439 1 510 . 1 1 49 49 THR N N 15 117.217 0.033 . 1 . . . . 732 THR N . 16439 1 511 . 1 1 50 50 CYS H H 1 8.652 0.011 . 1 . . . . 733 CYS H . 16439 1 512 . 1 1 50 50 CYS HA H 1 3.904 0.005 . 1 . . . . 733 CYS HA . 16439 1 513 . 1 1 50 50 CYS HB2 H 1 1.419 0.009 . 2 . . . . 733 CYS HB2 . 16439 1 514 . 1 1 50 50 CYS HB3 H 1 2.782 0.008 . 2 . . . . 733 CYS HB3 . 16439 1 515 . 1 1 50 50 CYS C C 13 179.133 0.000 . 1 . . . . 733 CYS C . 16439 1 516 . 1 1 50 50 CYS CA C 13 54.425 0.040 . 1 . . . . 733 CYS CA . 16439 1 517 . 1 1 50 50 CYS CB C 13 38.481 0.064 . 1 . . . . 733 CYS CB . 16439 1 518 . 1 1 50 50 CYS N N 15 126.275 0.051 . 1 . . . . 733 CYS N . 16439 1 519 . 1 1 51 51 ILE H H 1 8.449 0.008 . 1 . . . . 734 ILE H . 16439 1 520 . 1 1 51 51 ILE HA H 1 4.052 0.005 . 1 . . . . 734 ILE HA . 16439 1 521 . 1 1 51 51 ILE HB H 1 1.765 0.007 . 1 . . . . 734 ILE HB . 16439 1 522 . 1 1 51 51 ILE HD11 H 1 0.634 0.006 . 1 . . . . 734 ILE HD11 . 16439 1 523 . 1 1 51 51 ILE HD12 H 1 0.634 0.006 . 1 . . . . 734 ILE HD12 . 16439 1 524 . 1 1 51 51 ILE HD13 H 1 0.634 0.006 . 1 . . . . 734 ILE HD13 . 16439 1 525 . 1 1 51 51 ILE HG12 H 1 0.902 0.007 . 1 . . . . 734 ILE HG12 . 16439 1 526 . 1 1 51 51 ILE HG21 H 1 1.238 0.001 . 1 . . . . 734 ILE HG21 . 16439 1 527 . 1 1 51 51 ILE HG22 H 1 1.238 0.001 . 1 . . . . 734 ILE HG22 . 16439 1 528 . 1 1 51 51 ILE HG23 H 1 1.238 0.001 . 1 . . . . 734 ILE HG23 . 16439 1 529 . 1 1 51 51 ILE C C 13 176.110 0.002 . 1 . . . . 734 ILE C . 16439 1 530 . 1 1 51 51 ILE CA C 13 59.350 0.042 . 1 . . . . 734 ILE CA . 16439 1 531 . 1 1 51 51 ILE CB C 13 37.953 0.074 . 1 . . . . 734 ILE CB . 16439 1 532 . 1 1 51 51 ILE CD1 C 13 16.859 0.051 . 1 . . . . 734 ILE CD1 . 16439 1 533 . 1 1 51 51 ILE CG1 C 13 26.261 0.052 . 1 . . . . 734 ILE CG1 . 16439 1 534 . 1 1 51 51 ILE N N 15 130.953 0.033 . 1 . . . . 734 ILE N . 16439 1 535 . 1 1 52 52 HIS H H 1 7.977 0.011 . 1 . . . . 735 HIS H . 16439 1 536 . 1 1 52 52 HIS HA H 1 3.030 0.011 . 1 . . . . 735 HIS HA . 16439 1 537 . 1 1 52 52 HIS HB2 H 1 2.805 0.006 . 2 . . . . 735 HIS HB2 . 16439 1 538 . 1 1 52 52 HIS HB3 H 1 3.232 0.006 . 2 . . . . 735 HIS HB3 . 16439 1 539 . 1 1 52 52 HIS HD2 H 1 6.899 0.003 . 1 . . . . 735 HIS HD2 . 16439 1 540 . 1 1 52 52 HIS C C 13 177.470 0.002 . 1 . . . . 735 HIS C . 16439 1 541 . 1 1 52 52 HIS CA C 13 57.026 0.061 . 1 . . . . 735 HIS CA . 16439 1 542 . 1 1 52 52 HIS CB C 13 28.517 0.079 . 1 . . . . 735 HIS CB . 16439 1 543 . 1 1 52 52 HIS CD2 C 13 119.848 0.096 . 1 . . . . 735 HIS CD2 . 16439 1 544 . 1 1 52 52 HIS N N 15 124.228 0.064 . 1 . . . . 735 HIS N . 16439 1 545 . 1 1 53 53 GLY H H 1 6.011 0.032 . 1 . . . . 736 GLY H . 16439 1 546 . 1 1 53 53 GLY HA2 H 1 3.447 0.005 . 2 . . . . 736 GLY HA2 . 16439 1 547 . 1 1 53 53 GLY HA3 H 1 4.200 0.007 . 2 . . . . 736 GLY HA3 . 16439 1 548 . 1 1 53 53 GLY C C 13 178.626 0.005 . 1 . . . . 736 GLY C . 16439 1 549 . 1 1 53 53 GLY CA C 13 46.203 0.081 . 1 . . . . 736 GLY CA . 16439 1 550 . 1 1 53 53 GLY N N 15 101.361 0.036 . 1 . . . . 736 GLY N . 16439 1 551 . 1 1 54 54 VAL H H 1 7.486 0.003 . 1 . . . . 737 VAL H . 16439 1 552 . 1 1 54 54 VAL HA H 1 4.204 0.010 . 1 . . . . 737 VAL HA . 16439 1 553 . 1 1 54 54 VAL HB H 1 1.966 0.006 . 1 . . . . 737 VAL HB . 16439 1 554 . 1 1 54 54 VAL HG11 H 1 0.825 0.015 . 2 . . . . 737 VAL HG11 . 16439 1 555 . 1 1 54 54 VAL HG12 H 1 0.825 0.015 . 2 . . . . 737 VAL HG12 . 16439 1 556 . 1 1 54 54 VAL HG13 H 1 0.825 0.015 . 2 . . . . 737 VAL HG13 . 16439 1 557 . 1 1 54 54 VAL HG21 H 1 0.951 0.007 . 2 . . . . 737 VAL HG21 . 16439 1 558 . 1 1 54 54 VAL HG22 H 1 0.951 0.007 . 2 . . . . 737 VAL HG22 . 16439 1 559 . 1 1 54 54 VAL HG23 H 1 0.951 0.007 . 2 . . . . 737 VAL HG23 . 16439 1 560 . 1 1 54 54 VAL C C 13 177.064 0.005 . 1 . . . . 737 VAL C . 16439 1 561 . 1 1 54 54 VAL CA C 13 60.298 0.055 . 1 . . . . 737 VAL CA . 16439 1 562 . 1 1 54 54 VAL CB C 13 35.020 0.056 . 1 . . . . 737 VAL CB . 16439 1 563 . 1 1 54 54 VAL CG1 C 13 20.650 0.084 . 2 . . . . 737 VAL CG1 . 16439 1 564 . 1 1 54 54 VAL CG2 C 13 21.226 0.041 . 2 . . . . 737 VAL CG2 . 16439 1 565 . 1 1 54 54 VAL N N 15 121.957 0.034 . 1 . . . . 737 VAL N . 16439 1 566 . 1 1 55 55 TRP H H 1 8.272 0.007 . 1 . . . . 738 TRP H . 16439 1 567 . 1 1 55 55 TRP HA H 1 5.118 0.008 . 1 . . . . 738 TRP HA . 16439 1 568 . 1 1 55 55 TRP HB2 H 1 2.991 0.005 . 2 . . . . 738 TRP HB2 . 16439 1 569 . 1 1 55 55 TRP HB3 H 1 3.305 0.010 . 2 . . . . 738 TRP HB3 . 16439 1 570 . 1 1 55 55 TRP HD1 H 1 7.179 0.004 . 1 . . . . 738 TRP HD1 . 16439 1 571 . 1 1 55 55 TRP HE1 H 1 9.237 0.006 . 1 . . . . 738 TRP HE1 . 16439 1 572 . 1 1 55 55 TRP HE3 H 1 7.006 0.008 . 1 . . . . 738 TRP HE3 . 16439 1 573 . 1 1 55 55 TRP HH2 H 1 6.359 0.004 . 1 . . . . 738 TRP HH2 . 16439 1 574 . 1 1 55 55 TRP HZ2 H 1 6.772 0.006 . 1 . . . . 738 TRP HZ2 . 16439 1 575 . 1 1 55 55 TRP HZ3 H 1 6.785 0.003 . 1 . . . . 738 TRP HZ3 . 16439 1 576 . 1 1 55 55 TRP C C 13 173.430 0.009 . 1 . . . . 738 TRP C . 16439 1 577 . 1 1 55 55 TRP CA C 13 56.963 0.071 . 1 . . . . 738 TRP CA . 16439 1 578 . 1 1 55 55 TRP CB C 13 31.029 0.063 . 1 . . . . 738 TRP CB . 16439 1 579 . 1 1 55 55 TRP CD1 C 13 126.691 0.093 . 1 . . . . 738 TRP CD1 . 16439 1 580 . 1 1 55 55 TRP CE3 C 13 120.065 0.058 . 1 . . . . 738 TRP CE3 . 16439 1 581 . 1 1 55 55 TRP CH2 C 13 123.062 0.060 . 1 . . . . 738 TRP CH2 . 16439 1 582 . 1 1 55 55 TRP CZ2 C 13 114.617 0.037 . 1 . . . . 738 TRP CZ2 . 16439 1 583 . 1 1 55 55 TRP CZ3 C 13 122.069 0.068 . 1 . . . . 738 TRP CZ3 . 16439 1 584 . 1 1 55 55 TRP N N 15 127.157 0.035 . 1 . . . . 738 TRP N . 16439 1 585 . 1 1 55 55 TRP NE1 N 15 127.882 0.036 . 1 . . . . 738 TRP NE1 . 16439 1 586 . 1 1 56 56 THR H H 1 8.418 0.005 . 1 . . . . 739 THR H . 16439 1 587 . 1 1 56 56 THR HA H 1 4.316 0.005 . 1 . . . . 739 THR HA . 16439 1 588 . 1 1 56 56 THR HB H 1 4.746 0.008 . 1 . . . . 739 THR HB . 16439 1 589 . 1 1 56 56 THR HG21 H 1 1.485 0.003 . 1 . . . . 739 THR HG21 . 16439 1 590 . 1 1 56 56 THR HG22 H 1 1.485 0.003 . 1 . . . . 739 THR HG22 . 16439 1 591 . 1 1 56 56 THR HG23 H 1 1.485 0.003 . 1 . . . . 739 THR HG23 . 16439 1 592 . 1 1 56 56 THR C C 13 179.179 0.005 . 1 . . . . 739 THR C . 16439 1 593 . 1 1 56 56 THR CA C 13 62.716 0.069 . 1 . . . . 739 THR CA . 16439 1 594 . 1 1 56 56 THR CB C 13 69.779 0.097 . 1 . . . . 739 THR CB . 16439 1 595 . 1 1 56 56 THR CG2 C 13 22.729 0.043 . 1 . . . . 739 THR CG2 . 16439 1 596 . 1 1 56 56 THR N N 15 112.350 0.037 . 1 . . . . 739 THR N . 16439 1 597 . 1 1 57 57 GLN H H 1 7.919 0.007 . 1 . . . . 740 GLN H . 16439 1 598 . 1 1 57 57 GLN HA H 1 3.985 0.005 . 1 . . . . 740 GLN HA . 16439 1 599 . 1 1 57 57 GLN HB2 H 1 1.951 0.009 . 2 . . . . 740 GLN HB2 . 16439 1 600 . 1 1 57 57 GLN HB3 H 1 2.064 0.009 . 2 . . . . 740 GLN HB3 . 16439 1 601 . 1 1 57 57 GLN HE21 H 1 6.867 0.005 . 1 . . . . 740 GLN HE21 . 16439 1 602 . 1 1 57 57 GLN HE22 H 1 7.744 0.002 . 1 . . . . 740 GLN HE22 . 16439 1 603 . 1 1 57 57 GLN HG2 H 1 2.395 0.020 . 2 . . . . 740 GLN HG2 . 16439 1 604 . 1 1 57 57 GLN HG3 H 1 2.469 0.013 . 2 . . . . 740 GLN HG3 . 16439 1 605 . 1 1 57 57 GLN C C 13 175.538 0.003 . 1 . . . . 740 GLN C . 16439 1 606 . 1 1 57 57 GLN CA C 13 56.888 0.065 . 1 . . . . 740 GLN CA . 16439 1 607 . 1 1 57 57 GLN CB C 13 29.919 0.023 . 1 . . . . 740 GLN CB . 16439 1 608 . 1 1 57 57 GLN CG C 13 33.213 0.074 . 1 . . . . 740 GLN CG . 16439 1 609 . 1 1 57 57 GLN N N 15 114.825 0.028 . 1 . . . . 740 GLN N . 16439 1 610 . 1 1 57 57 GLN NE2 N 15 113.551 0.077 . 1 . . . . 740 GLN NE2 . 16439 1 611 . 1 1 58 58 LEU H H 1 8.374 0.005 . 1 . . . . 741 LEU H . 16439 1 612 . 1 1 58 58 LEU HA H 1 3.888 0.008 . 1 . . . . 741 LEU HA . 16439 1 613 . 1 1 58 58 LEU HB2 H 1 1.413 0.017 . 1 . . . . 741 LEU HB2 . 16439 1 614 . 1 1 58 58 LEU HD11 H 1 0.239 0.005 . 2 . . . . 741 LEU HD11 . 16439 1 615 . 1 1 58 58 LEU HD12 H 1 0.239 0.005 . 2 . . . . 741 LEU HD12 . 16439 1 616 . 1 1 58 58 LEU HD13 H 1 0.239 0.005 . 2 . . . . 741 LEU HD13 . 16439 1 617 . 1 1 58 58 LEU HD21 H 1 0.511 0.010 . 2 . . . . 741 LEU HD21 . 16439 1 618 . 1 1 58 58 LEU HD22 H 1 0.511 0.010 . 2 . . . . 741 LEU HD22 . 16439 1 619 . 1 1 58 58 LEU HD23 H 1 0.511 0.010 . 2 . . . . 741 LEU HD23 . 16439 1 620 . 1 1 58 58 LEU C C 13 176.329 0.000 . 1 . . . . 741 LEU C . 16439 1 621 . 1 1 58 58 LEU CA C 13 54.234 0.047 . 1 . . . . 741 LEU CA . 16439 1 622 . 1 1 58 58 LEU CB C 13 42.863 0.037 . 1 . . . . 741 LEU CB . 16439 1 623 . 1 1 58 58 LEU CD1 C 13 25.393 0.070 . 2 . . . . 741 LEU CD1 . 16439 1 624 . 1 1 58 58 LEU CD2 C 13 25.532 0.071 . 2 . . . . 741 LEU CD2 . 16439 1 625 . 1 1 58 58 LEU N N 15 128.370 0.037 . 1 . . . . 741 LEU N . 16439 1 626 . 1 1 59 59 PRO HA H 1 4.596 0.005 . 1 . . . . 742 PRO HA . 16439 1 627 . 1 1 59 59 PRO HB2 H 1 1.532 0.004 . 2 . . . . 742 PRO HB2 . 16439 1 628 . 1 1 59 59 PRO HB3 H 1 2.100 0.008 . 2 . . . . 742 PRO HB3 . 16439 1 629 . 1 1 59 59 PRO HD2 H 1 2.821 0.005 . 2 . . . . 742 PRO HD2 . 16439 1 630 . 1 1 59 59 PRO HD3 H 1 3.249 0.004 . 2 . . . . 742 PRO HD3 . 16439 1 631 . 1 1 59 59 PRO HG2 H 1 1.150 0.008 . 2 . . . . 742 PRO HG2 . 16439 1 632 . 1 1 59 59 PRO HG3 H 1 1.804 0.007 . 2 . . . . 742 PRO HG3 . 16439 1 633 . 1 1 59 59 PRO C C 13 178.992 0.005 . 1 . . . . 742 PRO C . 16439 1 634 . 1 1 59 59 PRO CA C 13 62.375 0.091 . 1 . . . . 742 PRO CA . 16439 1 635 . 1 1 59 59 PRO CB C 13 32.484 0.040 . 1 . . . . 742 PRO CB . 16439 1 636 . 1 1 59 59 PRO CD C 13 48.749 0.158 . 1 . . . . 742 PRO CD . 16439 1 637 . 1 1 59 59 PRO CG C 13 26.238 0.065 . 1 . . . . 742 PRO CG . 16439 1 638 . 1 1 60 60 GLN H H 1 8.188 0.002 . 1 . . . . 743 GLN H . 16439 1 639 . 1 1 60 60 GLN HA H 1 4.464 0.007 . 1 . . . . 743 GLN HA . 16439 1 640 . 1 1 60 60 GLN HB2 H 1 1.743 0.011 . 2 . . . . 743 GLN HB2 . 16439 1 641 . 1 1 60 60 GLN HB3 H 1 1.857 0.005 . 2 . . . . 743 GLN HB3 . 16439 1 642 . 1 1 60 60 GLN HE21 H 1 6.676 0.006 . 1 . . . . 743 GLN HE21 . 16439 1 643 . 1 1 60 60 GLN HE22 H 1 7.431 0.003 . 1 . . . . 743 GLN HE22 . 16439 1 644 . 1 1 60 60 GLN HG2 H 1 2.179 0.013 . 2 . . . . 743 GLN HG2 . 16439 1 645 . 1 1 60 60 GLN HG3 H 1 2.201 0.012 . 2 . . . . 743 GLN HG3 . 16439 1 646 . 1 1 60 60 GLN C C 13 177.301 0.000 . 1 . . . . 743 GLN C . 16439 1 647 . 1 1 60 60 GLN CA C 13 54.422 0.064 . 1 . . . . 743 GLN CA . 16439 1 648 . 1 1 60 60 GLN CB C 13 32.896 0.040 . 1 . . . . 743 GLN CB . 16439 1 649 . 1 1 60 60 GLN CG C 13 34.018 0.118 . 1 . . . . 743 GLN CG . 16439 1 650 . 1 1 60 60 GLN N N 15 112.916 0.044 . 1 . . . . 743 GLN N . 16439 1 651 . 1 1 60 60 GLN NE2 N 15 111.136 0.026 . 1 . . . . 743 GLN NE2 . 16439 1 652 . 1 1 61 61 CYS H H 1 9.079 0.005 . 1 . . . . 744 CYS H . 16439 1 653 . 1 1 61 61 CYS HA H 1 5.255 0.005 . 1 . . . . 744 CYS HA . 16439 1 654 . 1 1 61 61 CYS HB2 H 1 2.589 0.010 . 2 . . . . 744 CYS HB2 . 16439 1 655 . 1 1 61 61 CYS HB3 H 1 2.931 0.010 . 2 . . . . 744 CYS HB3 . 16439 1 656 . 1 1 61 61 CYS C C 13 178.068 0.026 . 1 . . . . 744 CYS C . 16439 1 657 . 1 1 61 61 CYS CA C 13 53.946 0.054 . 1 . . . . 744 CYS CA . 16439 1 658 . 1 1 61 61 CYS CB C 13 41.030 0.077 . 1 . . . . 744 CYS CB . 16439 1 659 . 1 1 61 61 CYS N N 15 122.368 0.040 . 1 . . . . 744 CYS N . 16439 1 660 . 1 1 62 62 VAL H H 1 9.200 0.008 . 1 . . . . 745 VAL H . 16439 1 661 . 1 1 62 62 VAL HA H 1 4.369 0.006 . 1 . . . . 745 VAL HA . 16439 1 662 . 1 1 62 62 VAL HB H 1 1.716 0.005 . 1 . . . . 745 VAL HB . 16439 1 663 . 1 1 62 62 VAL HG11 H 1 0.772 0.015 . 2 . . . . 745 VAL HG11 . 16439 1 664 . 1 1 62 62 VAL HG12 H 1 0.772 0.015 . 2 . . . . 745 VAL HG12 . 16439 1 665 . 1 1 62 62 VAL HG13 H 1 0.772 0.015 . 2 . . . . 745 VAL HG13 . 16439 1 666 . 1 1 62 62 VAL HG21 H 1 0.808 0.018 . 2 . . . . 745 VAL HG21 . 16439 1 667 . 1 1 62 62 VAL HG22 H 1 0.808 0.018 . 2 . . . . 745 VAL HG22 . 16439 1 668 . 1 1 62 62 VAL HG23 H 1 0.808 0.018 . 2 . . . . 745 VAL HG23 . 16439 1 669 . 1 1 62 62 VAL C C 13 176.934 0.006 . 1 . . . . 745 VAL C . 16439 1 670 . 1 1 62 62 VAL CA C 13 60.957 0.073 . 1 . . . . 745 VAL CA . 16439 1 671 . 1 1 62 62 VAL CB C 13 34.818 0.057 . 1 . . . . 745 VAL CB . 16439 1 672 . 1 1 62 62 VAL CG2 C 13 21.151 0.080 . 1 . . . . 745 VAL CG2 . 16439 1 673 . 1 1 62 62 VAL N N 15 124.070 0.040 . 1 . . . . 745 VAL N . 16439 1 674 . 1 1 63 63 ALA H H 1 8.872 0.004 . 1 . . . . 746 ALA H . 16439 1 675 . 1 1 63 63 ALA HA H 1 3.521 0.012 . 1 . . . . 746 ALA HA . 16439 1 676 . 1 1 63 63 ALA HB1 H 1 1.011 0.006 . 1 . . . . 746 ALA HB1 . 16439 1 677 . 1 1 63 63 ALA HB2 H 1 1.011 0.006 . 1 . . . . 746 ALA HB2 . 16439 1 678 . 1 1 63 63 ALA HB3 H 1 1.011 0.006 . 1 . . . . 746 ALA HB3 . 16439 1 679 . 1 1 63 63 ALA C C 13 173.185 0.005 . 1 . . . . 746 ALA C . 16439 1 680 . 1 1 63 63 ALA CA C 13 52.624 0.048 . 1 . . . . 746 ALA CA . 16439 1 681 . 1 1 63 63 ALA CB C 13 18.417 0.029 . 1 . . . . 746 ALA CB . 16439 1 682 . 1 1 63 63 ALA N N 15 131.507 0.049 . 1 . . . . 746 ALA N . 16439 1 683 . 1 1 64 64 ILE H H 1 7.826 0.004 . 1 . . . . 747 ILE H . 16439 1 684 . 1 1 64 64 ILE HA H 1 3.547 0.006 . 1 . . . . 747 ILE HA . 16439 1 685 . 1 1 64 64 ILE HB H 1 1.571 0.007 . 1 . . . . 747 ILE HB . 16439 1 686 . 1 1 64 64 ILE HD11 H 1 0.763 0.004 . 1 . . . . 747 ILE HD11 . 16439 1 687 . 1 1 64 64 ILE HD12 H 1 0.763 0.004 . 1 . . . . 747 ILE HD12 . 16439 1 688 . 1 1 64 64 ILE HD13 H 1 0.763 0.004 . 1 . . . . 747 ILE HD13 . 16439 1 689 . 1 1 64 64 ILE HG12 H 1 1.281 0.005 . 1 . . . . 747 ILE HG12 . 16439 1 690 . 1 1 64 64 ILE HG21 H 1 0.984 0.010 . 1 . . . . 747 ILE HG21 . 16439 1 691 . 1 1 64 64 ILE HG22 H 1 0.984 0.010 . 1 . . . . 747 ILE HG22 . 16439 1 692 . 1 1 64 64 ILE HG23 H 1 0.984 0.010 . 1 . . . . 747 ILE HG23 . 16439 1 693 . 1 1 64 64 ILE C C 13 174.494 0.002 . 1 . . . . 747 ILE C . 16439 1 694 . 1 1 64 64 ILE CA C 13 64.173 0.050 . 1 . . . . 747 ILE CA . 16439 1 695 . 1 1 64 64 ILE CB C 13 38.147 0.084 . 1 . . . . 747 ILE CB . 16439 1 696 . 1 1 64 64 ILE CD1 C 13 12.974 0.001 . 1 . . . . 747 ILE CD1 . 16439 1 697 . 1 1 64 64 ILE CG1 C 13 28.901 0.055 . 1 . . . . 747 ILE CG1 . 16439 1 698 . 1 1 64 64 ILE CG2 C 13 16.692 0.001 . 1 . . . . 747 ILE CG2 . 16439 1 699 . 1 1 64 64 ILE N N 15 121.731 0.034 . 1 . . . . 747 ILE N . 16439 1 700 . 1 1 65 65 ASP H H 1 8.269 0.005 . 1 . . . . 748 ASP H . 16439 1 701 . 1 1 65 65 ASP HA H 1 4.353 0.010 . 1 . . . . 748 ASP HA . 16439 1 702 . 1 1 65 65 ASP HB2 H 1 2.499 0.009 . 2 . . . . 748 ASP HB2 . 16439 1 703 . 1 1 65 65 ASP HB3 H 1 2.626 0.012 . 2 . . . . 748 ASP HB3 . 16439 1 704 . 1 1 65 65 ASP C C 13 175.541 0.004 . 1 . . . . 748 ASP C . 16439 1 705 . 1 1 65 65 ASP CA C 13 54.726 0.046 . 1 . . . . 748 ASP CA . 16439 1 706 . 1 1 65 65 ASP CB C 13 39.958 0.037 . 1 . . . . 748 ASP CB . 16439 1 707 . 1 1 65 65 ASP N N 15 117.165 0.036 . 1 . . . . 748 ASP N . 16439 1 708 . 1 1 66 66 LYS H H 1 7.699 0.005 . 1 . . . . 749 LYS H . 16439 1 709 . 1 1 66 66 LYS HA H 1 4.308 0.008 . 1 . . . . 749 LYS HA . 16439 1 710 . 1 1 66 66 LYS HB2 H 1 1.634 0.013 . 2 . . . . 749 LYS HB2 . 16439 1 711 . 1 1 66 66 LYS HB3 H 1 1.914 0.009 . 2 . . . . 749 LYS HB3 . 16439 1 712 . 1 1 66 66 LYS HD2 H 1 1.533 0.004 . 2 . . . . 749 LYS HD2 . 16439 1 713 . 1 1 66 66 LYS HD3 H 1 1.572 0.023 . 2 . . . . 749 LYS HD3 . 16439 1 714 . 1 1 66 66 LYS HG2 H 1 1.235 0.015 . 2 . . . . 749 LYS HG2 . 16439 1 715 . 1 1 66 66 LYS HG3 H 1 1.354 0.012 . 2 . . . . 749 LYS HG3 . 16439 1 716 . 1 1 66 66 LYS C C 13 175.409 0.020 . 1 . . . . 749 LYS C . 16439 1 717 . 1 1 66 66 LYS CA C 13 54.741 0.053 . 1 . . . . 749 LYS CA . 16439 1 718 . 1 1 66 66 LYS CB C 13 32.706 0.079 . 1 . . . . 749 LYS CB . 16439 1 719 . 1 1 66 66 LYS CD C 13 28.500 0.059 . 1 . . . . 749 LYS CD . 16439 1 720 . 1 1 66 66 LYS CG C 13 24.595 0.124 . 1 . . . . 749 LYS CG . 16439 1 721 . 1 1 66 66 LYS N N 15 118.136 0.032 . 1 . . . . 749 LYS N . 16439 1 722 . 1 1 67 67 LEU H H 1 7.078 0.006 . 1 . . . . 750 LEU H . 16439 1 723 . 1 1 67 67 LEU HA H 1 4.019 0.004 . 1 . . . . 750 LEU HA . 16439 1 724 . 1 1 67 67 LEU HB2 H 1 0.974 0.011 . 2 . . . . 750 LEU HB2 . 16439 1 725 . 1 1 67 67 LEU HB3 H 1 1.546 0.015 . 2 . . . . 750 LEU HB3 . 16439 1 726 . 1 1 67 67 LEU HD11 H 1 0.154 0.006 . 2 . . . . 750 LEU HD11 . 16439 1 727 . 1 1 67 67 LEU HD12 H 1 0.154 0.006 . 2 . . . . 750 LEU HD12 . 16439 1 728 . 1 1 67 67 LEU HD13 H 1 0.154 0.006 . 2 . . . . 750 LEU HD13 . 16439 1 729 . 1 1 67 67 LEU HD21 H 1 0.596 0.007 . 2 . . . . 750 LEU HD21 . 16439 1 730 . 1 1 67 67 LEU HD22 H 1 0.596 0.007 . 2 . . . . 750 LEU HD22 . 16439 1 731 . 1 1 67 67 LEU HD23 H 1 0.596 0.007 . 2 . . . . 750 LEU HD23 . 16439 1 732 . 1 1 67 67 LEU C C 13 174.530 0.017 . 1 . . . . 750 LEU C . 16439 1 733 . 1 1 67 67 LEU CA C 13 55.249 0.038 . 1 . . . . 750 LEU CA . 16439 1 734 . 1 1 67 67 LEU CB C 13 42.791 0.058 . 1 . . . . 750 LEU CB . 16439 1 735 . 1 1 67 67 LEU CD1 C 13 22.181 0.063 . 2 . . . . 750 LEU CD1 . 16439 1 736 . 1 1 67 67 LEU CD2 C 13 25.453 0.073 . 2 . . . . 750 LEU CD2 . 16439 1 737 . 1 1 67 67 LEU N N 15 122.303 0.035 . 1 . . . . 750 LEU N . 16439 1 738 . 1 1 68 68 LYS H H 1 8.525 0.003 . 1 . . . . 751 LYS H . 16439 1 739 . 1 1 68 68 LYS HA H 1 4.115 0.007 . 1 . . . . 751 LYS HA . 16439 1 740 . 1 1 68 68 LYS HB2 H 1 1.115 0.008 . 2 . . . . 751 LYS HB2 . 16439 1 741 . 1 1 68 68 LYS HB3 H 1 1.635 0.011 . 2 . . . . 751 LYS HB3 . 16439 1 742 . 1 1 68 68 LYS HE2 H 1 2.949 0.005 . 1 . . . . 751 LYS HE2 . 16439 1 743 . 1 1 68 68 LYS C C 13 176.752 0.004 . 1 . . . . 751 LYS C . 16439 1 744 . 1 1 68 68 LYS CA C 13 56.336 0.081 . 1 . . . . 751 LYS CA . 16439 1 745 . 1 1 68 68 LYS CB C 13 33.401 0.066 . 1 . . . . 751 LYS CB . 16439 1 746 . 1 1 68 68 LYS CE C 13 42.163 0.018 . 1 . . . . 751 LYS CE . 16439 1 747 . 1 1 68 68 LYS N N 15 124.268 0.041 . 1 . . . . 751 LYS N . 16439 1 748 . 1 1 69 69 LYS H H 1 7.892 0.004 . 1 . . . . 752 LYS H . 16439 1 749 . 1 1 69 69 LYS HA H 1 4.525 0.008 . 1 . . . . 752 LYS HA . 16439 1 750 . 1 1 69 69 LYS HB2 H 1 1.426 0.006 . 2 . . . . 752 LYS HB2 . 16439 1 751 . 1 1 69 69 LYS HB3 H 1 1.618 0.005 . 2 . . . . 752 LYS HB3 . 16439 1 752 . 1 1 69 69 LYS HE2 H 1 2.911 0.012 . 1 . . . . 752 LYS HE2 . 16439 1 753 . 1 1 69 69 LYS HG2 H 1 1.339 0.002 . 1 . . . . 752 LYS HG2 . 16439 1 754 . 1 1 69 69 LYS C C 13 174.624 0.007 . 1 . . . . 752 LYS C . 16439 1 755 . 1 1 69 69 LYS CA C 13 55.611 0.046 . 1 . . . . 752 LYS CA . 16439 1 756 . 1 1 69 69 LYS CB C 13 34.170 0.093 . 1 . . . . 752 LYS CB . 16439 1 757 . 1 1 69 69 LYS CD C 13 29.516 0.000 . 1 . . . . 752 LYS CD . 16439 1 758 . 1 1 69 69 LYS CG C 13 26.112 0.102 . 1 . . . . 752 LYS CG . 16439 1 759 . 1 1 69 69 LYS N N 15 117.415 0.041 . 1 . . . . 752 LYS N . 16439 1 760 . 1 1 70 70 CYS H H 1 8.963 0.004 . 1 . . . . 753 CYS H . 16439 1 761 . 1 1 70 70 CYS HA H 1 4.394 0.007 . 1 . . . . 753 CYS HA . 16439 1 762 . 1 1 70 70 CYS HB2 H 1 1.604 0.014 . 2 . . . . 753 CYS HB2 . 16439 1 763 . 1 1 70 70 CYS HB3 H 1 1.674 0.003 . 2 . . . . 753 CYS HB3 . 16439 1 764 . 1 1 70 70 CYS C C 13 177.721 0.001 . 1 . . . . 753 CYS C . 16439 1 765 . 1 1 70 70 CYS CA C 13 56.982 0.094 . 1 . . . . 753 CYS CA . 16439 1 766 . 1 1 70 70 CYS CB C 13 42.147 0.049 . 1 . . . . 753 CYS CB . 16439 1 767 . 1 1 70 70 CYS N N 15 117.473 0.032 . 1 . . . . 753 CYS N . 16439 1 768 . 1 1 71 71 LYS H H 1 8.613 0.003 . 1 . . . . 754 LYS H . 16439 1 769 . 1 1 71 71 LYS HA H 1 4.984 0.006 . 1 . . . . 754 LYS HA . 16439 1 770 . 1 1 71 71 LYS HB2 H 1 1.829 0.004 . 2 . . . . 754 LYS HB2 . 16439 1 771 . 1 1 71 71 LYS HB3 H 1 2.081 0.008 . 2 . . . . 754 LYS HB3 . 16439 1 772 . 1 1 71 71 LYS HD2 H 1 1.726 0.006 . 1 . . . . 754 LYS HD2 . 16439 1 773 . 1 1 71 71 LYS HE2 H 1 3.004 0.004 . 1 . . . . 754 LYS HE2 . 16439 1 774 . 1 1 71 71 LYS HG2 H 1 1.572 0.006 . 1 . . . . 754 LYS HG2 . 16439 1 775 . 1 1 71 71 LYS C C 13 174.320 0.015 . 1 . . . . 754 LYS C . 16439 1 776 . 1 1 71 71 LYS CA C 13 55.898 0.091 . 1 . . . . 754 LYS CA . 16439 1 777 . 1 1 71 71 LYS CB C 13 34.499 0.060 . 1 . . . . 754 LYS CB . 16439 1 778 . 1 1 71 71 LYS CD C 13 29.072 0.071 . 1 . . . . 754 LYS CD . 16439 1 779 . 1 1 71 71 LYS CE C 13 42.184 0.047 . 1 . . . . 754 LYS CE . 16439 1 780 . 1 1 71 71 LYS CG C 13 25.207 0.066 . 1 . . . . 754 LYS CG . 16439 1 781 . 1 1 71 71 LYS N N 15 121.934 0.060 . 1 . . . . 754 LYS N . 16439 1 782 . 1 1 72 72 SER H H 1 8.400 0.003 . 1 . . . . 755 SER H . 16439 1 783 . 1 1 72 72 SER HA H 1 4.444 0.004 . 1 . . . . 755 SER HA . 16439 1 784 . 1 1 72 72 SER HB2 H 1 3.969 0.015 . 1 . . . . 755 SER HB2 . 16439 1 785 . 1 1 72 72 SER C C 13 178.513 0.015 . 1 . . . . 755 SER C . 16439 1 786 . 1 1 72 72 SER CA C 13 57.382 0.074 . 1 . . . . 755 SER CA . 16439 1 787 . 1 1 72 72 SER CB C 13 63.895 0.059 . 1 . . . . 755 SER CB . 16439 1 788 . 1 1 72 72 SER N N 15 116.907 0.033 . 1 . . . . 755 SER N . 16439 1 789 . 1 1 73 73 SER H H 1 7.641 0.002 . 1 . . . . 756 SER H . 16439 1 790 . 1 1 73 73 SER HA H 1 4.692 0.005 . 1 . . . . 756 SER HA . 16439 1 791 . 1 1 73 73 SER HB2 H 1 3.384 0.004 . 1 . . . . 756 SER HB2 . 16439 1 792 . 1 1 73 73 SER C C 13 177.284 0.000 . 1 . . . . 756 SER C . 16439 1 793 . 1 1 73 73 SER CA C 13 56.722 0.033 . 1 . . . . 756 SER CA . 16439 1 794 . 1 1 73 73 SER CB C 13 64.790 0.072 . 1 . . . . 756 SER CB . 16439 1 795 . 1 1 73 73 SER N N 15 113.775 0.033 . 1 . . . . 756 SER N . 16439 1 796 . 1 1 74 74 ASN HA H 1 4.729 0.030 . 1 . . . . 757 ASN HA . 16439 1 797 . 1 1 74 74 ASN HB2 H 1 2.848 0.027 . 2 . . . . 757 ASN HB2 . 16439 1 798 . 1 1 74 74 ASN HB3 H 1 2.906 0.012 . 2 . . . . 757 ASN HB3 . 16439 1 799 . 1 1 74 74 ASN HD21 H 1 6.872 0.006 . 1 . . . . 757 ASN HD21 . 16439 1 800 . 1 1 74 74 ASN HD22 H 1 7.588 0.006 . 1 . . . . 757 ASN HD22 . 16439 1 801 . 1 1 74 74 ASN CA C 13 54.122 0.061 . 1 . . . . 757 ASN CA . 16439 1 802 . 1 1 74 74 ASN CB C 13 37.686 0.061 . 1 . . . . 757 ASN CB . 16439 1 803 . 1 1 74 74 ASN ND2 N 15 112.093 0.043 . 1 . . . . 757 ASN ND2 . 16439 1 804 . 1 1 75 75 LEU H H 1 8.136 0.005 . 1 . . . . 758 LEU H . 16439 1 805 . 1 1 75 75 LEU HA H 1 4.189 0.006 . 1 . . . . 758 LEU HA . 16439 1 806 . 1 1 75 75 LEU HB2 H 1 1.475 0.014 . 1 . . . . 758 LEU HB2 . 16439 1 807 . 1 1 75 75 LEU HD11 H 1 0.742 0.024 . 2 . . . . 758 LEU HD11 . 16439 1 808 . 1 1 75 75 LEU HD12 H 1 0.742 0.024 . 2 . . . . 758 LEU HD12 . 16439 1 809 . 1 1 75 75 LEU HD13 H 1 0.742 0.024 . 2 . . . . 758 LEU HD13 . 16439 1 810 . 1 1 75 75 LEU HD21 H 1 0.792 0.010 . 2 . . . . 758 LEU HD21 . 16439 1 811 . 1 1 75 75 LEU HD22 H 1 0.792 0.010 . 2 . . . . 758 LEU HD22 . 16439 1 812 . 1 1 75 75 LEU HD23 H 1 0.792 0.010 . 2 . . . . 758 LEU HD23 . 16439 1 813 . 1 1 75 75 LEU C C 13 175.823 0.007 . 1 . . . . 758 LEU C . 16439 1 814 . 1 1 75 75 LEU CA C 13 55.646 0.049 . 1 . . . . 758 LEU CA . 16439 1 815 . 1 1 75 75 LEU CB C 13 42.923 0.063 . 1 . . . . 758 LEU CB . 16439 1 816 . 1 1 75 75 LEU CD1 C 13 22.607 0.024 . 2 . . . . 758 LEU CD1 . 16439 1 817 . 1 1 75 75 LEU CD2 C 13 25.152 0.059 . 2 . . . . 758 LEU CD2 . 16439 1 818 . 1 1 75 75 LEU N N 15 118.332 0.044 . 1 . . . . 758 LEU N . 16439 1 819 . 1 1 76 76 ILE H H 1 6.788 0.008 . 1 . . . . 759 ILE H . 16439 1 820 . 1 1 76 76 ILE HA H 1 4.882 0.006 . 1 . . . . 759 ILE HA . 16439 1 821 . 1 1 76 76 ILE HB H 1 1.716 0.004 . 1 . . . . 759 ILE HB . 16439 1 822 . 1 1 76 76 ILE HD11 H 1 0.089 0.004 . 1 . . . . 759 ILE HD11 . 16439 1 823 . 1 1 76 76 ILE HD12 H 1 0.089 0.004 . 1 . . . . 759 ILE HD12 . 16439 1 824 . 1 1 76 76 ILE HD13 H 1 0.089 0.004 . 1 . . . . 759 ILE HD13 . 16439 1 825 . 1 1 76 76 ILE HG12 H 1 1.012 0.007 . 2 . . . . 759 ILE HG12 . 16439 1 826 . 1 1 76 76 ILE HG13 H 1 1.046 0.000 . 2 . . . . 759 ILE HG13 . 16439 1 827 . 1 1 76 76 ILE HG21 H 1 0.317 0.004 . 1 . . . . 759 ILE HG21 . 16439 1 828 . 1 1 76 76 ILE HG22 H 1 0.317 0.004 . 1 . . . . 759 ILE HG22 . 16439 1 829 . 1 1 76 76 ILE HG23 H 1 0.317 0.004 . 1 . . . . 759 ILE HG23 . 16439 1 830 . 1 1 76 76 ILE C C 13 177.717 0.000 . 1 . . . . 759 ILE C . 16439 1 831 . 1 1 76 76 ILE CA C 13 59.391 0.061 . 1 . . . . 759 ILE CA . 16439 1 832 . 1 1 76 76 ILE CB C 13 40.361 0.055 . 1 . . . . 759 ILE CB . 16439 1 833 . 1 1 76 76 ILE CD1 C 13 12.389 0.044 . 1 . . . . 759 ILE CD1 . 16439 1 834 . 1 1 76 76 ILE CG1 C 13 24.108 0.047 . 1 . . . . 759 ILE CG1 . 16439 1 835 . 1 1 76 76 ILE CG2 C 13 18.862 0.059 . 1 . . . . 759 ILE CG2 . 16439 1 836 . 1 1 76 76 ILE N N 15 108.944 0.069 . 1 . . . . 759 ILE N . 16439 1 837 . 1 1 77 77 ILE H H 1 9.111 0.007 . 1 . . . . 760 ILE H . 16439 1 838 . 1 1 77 77 ILE HA H 1 4.233 0.008 . 1 . . . . 760 ILE HA . 16439 1 839 . 1 1 77 77 ILE HB H 1 1.543 0.007 . 1 . . . . 760 ILE HB . 16439 1 840 . 1 1 77 77 ILE HD11 H 1 0.704 0.005 . 1 . . . . 760 ILE HD11 . 16439 1 841 . 1 1 77 77 ILE HD12 H 1 0.704 0.005 . 1 . . . . 760 ILE HD12 . 16439 1 842 . 1 1 77 77 ILE HD13 H 1 0.704 0.005 . 1 . . . . 760 ILE HD13 . 16439 1 843 . 1 1 77 77 ILE HG21 H 1 0.893 0.007 . 1 . . . . 760 ILE HG21 . 16439 1 844 . 1 1 77 77 ILE HG22 H 1 0.893 0.007 . 1 . . . . 760 ILE HG22 . 16439 1 845 . 1 1 77 77 ILE HG23 H 1 0.893 0.007 . 1 . . . . 760 ILE HG23 . 16439 1 846 . 1 1 77 77 ILE C C 13 176.822 0.018 . 1 . . . . 760 ILE C . 16439 1 847 . 1 1 77 77 ILE CA C 13 60.551 0.074 . 1 . . . . 760 ILE CA . 16439 1 848 . 1 1 77 77 ILE CB C 13 39.233 0.068 . 1 . . . . 760 ILE CB . 16439 1 849 . 1 1 77 77 ILE CD1 C 13 13.294 0.054 . 1 . . . . 760 ILE CD1 . 16439 1 850 . 1 1 77 77 ILE CG2 C 13 17.353 0.046 . 1 . . . . 760 ILE CG2 . 16439 1 851 . 1 1 77 77 ILE N N 15 123.448 0.049 . 1 . . . . 760 ILE N . 16439 1 852 . 1 1 78 78 LEU H H 1 8.183 0.004 . 1 . . . . 761 LEU H . 16439 1 853 . 1 1 78 78 LEU HA H 1 4.889 0.007 . 1 . . . . 761 LEU HA . 16439 1 854 . 1 1 78 78 LEU HB2 H 1 1.543 0.004 . 2 . . . . 761 LEU HB2 . 16439 1 855 . 1 1 78 78 LEU HB3 H 1 1.749 0.007 . 2 . . . . 761 LEU HB3 . 16439 1 856 . 1 1 78 78 LEU HD11 H 1 0.792 0.005 . 2 . . . . 761 LEU HD11 . 16439 1 857 . 1 1 78 78 LEU HD12 H 1 0.792 0.005 . 2 . . . . 761 LEU HD12 . 16439 1 858 . 1 1 78 78 LEU HD13 H 1 0.792 0.005 . 2 . . . . 761 LEU HD13 . 16439 1 859 . 1 1 78 78 LEU HD21 H 1 1.006 0.005 . 2 . . . . 761 LEU HD21 . 16439 1 860 . 1 1 78 78 LEU HD22 H 1 1.006 0.005 . 2 . . . . 761 LEU HD22 . 16439 1 861 . 1 1 78 78 LEU HD23 H 1 1.006 0.005 . 2 . . . . 761 LEU HD23 . 16439 1 862 . 1 1 78 78 LEU HG H 1 1.591 0.003 . 1 . . . . 761 LEU HG . 16439 1 863 . 1 1 78 78 LEU C C 13 174.316 0.004 . 1 . . . . 761 LEU C . 16439 1 864 . 1 1 78 78 LEU CA C 13 53.304 0.071 . 1 . . . . 761 LEU CA . 16439 1 865 . 1 1 78 78 LEU CB C 13 44.438 0.065 . 1 . . . . 761 LEU CB . 16439 1 866 . 1 1 78 78 LEU CD1 C 13 24.119 0.052 . 2 . . . . 761 LEU CD1 . 16439 1 867 . 1 1 78 78 LEU CD2 C 13 26.535 0.065 . 2 . . . . 761 LEU CD2 . 16439 1 868 . 1 1 78 78 LEU CG C 13 26.741 0.002 . 1 . . . . 761 LEU CG . 16439 1 869 . 1 1 78 78 LEU N N 15 125.733 0.067 . 1 . . . . 761 LEU N . 16439 1 870 . 1 1 79 79 GLU H H 1 8.943 0.003 . 1 . . . . 762 GLU H . 16439 1 871 . 1 1 79 79 GLU HA H 1 4.193 0.016 . 1 . . . . 762 GLU HA . 16439 1 872 . 1 1 79 79 GLU HB2 H 1 1.769 0.013 . 2 . . . . 762 GLU HB2 . 16439 1 873 . 1 1 79 79 GLU HB3 H 1 2.198 0.009 . 2 . . . . 762 GLU HB3 . 16439 1 874 . 1 1 79 79 GLU HG2 H 1 1.953 0.008 . 2 . . . . 762 GLU HG2 . 16439 1 875 . 1 1 79 79 GLU HG3 H 1 2.328 0.011 . 2 . . . . 762 GLU HG3 . 16439 1 876 . 1 1 79 79 GLU C C 13 173.708 0.000 . 1 . . . . 762 GLU C . 16439 1 877 . 1 1 79 79 GLU CA C 13 57.836 0.050 . 1 . . . . 762 GLU CA . 16439 1 878 . 1 1 79 79 GLU CB C 13 31.602 0.084 . 1 . . . . 762 GLU CB . 16439 1 879 . 1 1 79 79 GLU CG C 13 38.628 0.049 . 1 . . . . 762 GLU CG . 16439 1 880 . 1 1 79 79 GLU N N 15 119.178 0.037 . 1 . . . . 762 GLU N . 16439 1 881 . 1 1 80 80 GLU H H 1 8.779 0.005 . 1 . . . . 763 GLU H . 16439 1 882 . 1 1 80 80 GLU HA H 1 3.904 0.005 . 1 . . . . 763 GLU HA . 16439 1 883 . 1 1 80 80 GLU HB2 H 1 2.117 0.017 . 2 . . . . 763 GLU HB2 . 16439 1 884 . 1 1 80 80 GLU HB3 H 1 2.194 0.007 . 2 . . . . 763 GLU HB3 . 16439 1 885 . 1 1 80 80 GLU HG2 H 1 2.351 0.018 . 2 . . . . 763 GLU HG2 . 16439 1 886 . 1 1 80 80 GLU HG3 H 1 2.388 0.009 . 2 . . . . 763 GLU HG3 . 16439 1 887 . 1 1 80 80 GLU C C 13 173.810 0.017 . 1 . . . . 763 GLU C . 16439 1 888 . 1 1 80 80 GLU CA C 13 60.090 0.053 . 1 . . . . 763 GLU CA . 16439 1 889 . 1 1 80 80 GLU CB C 13 30.107 0.075 . 1 . . . . 763 GLU CB . 16439 1 890 . 1 1 80 80 GLU CG C 13 35.783 0.055 . 1 . . . . 763 GLU CG . 16439 1 891 . 1 1 80 80 GLU N N 15 120.500 0.032 . 1 . . . . 763 GLU N . 16439 1 892 . 1 1 81 81 HIS H H 1 8.424 0.006 . 1 . . . . 764 HIS H . 16439 1 893 . 1 1 81 81 HIS HA H 1 4.577 0.005 . 1 . . . . 764 HIS HA . 16439 1 894 . 1 1 81 81 HIS HB2 H 1 3.010 0.006 . 2 . . . . 764 HIS HB2 . 16439 1 895 . 1 1 81 81 HIS HB3 H 1 3.298 0.005 . 2 . . . . 764 HIS HB3 . 16439 1 896 . 1 1 81 81 HIS HD2 H 1 6.978 0.003 . 1 . . . . 764 HIS HD2 . 16439 1 897 . 1 1 81 81 HIS C C 13 176.047 0.008 . 1 . . . . 764 HIS C . 16439 1 898 . 1 1 81 81 HIS CA C 13 58.175 0.053 . 1 . . . . 764 HIS CA . 16439 1 899 . 1 1 81 81 HIS CB C 13 29.403 0.091 . 1 . . . . 764 HIS CB . 16439 1 900 . 1 1 81 81 HIS CD2 C 13 118.380 0.045 . 1 . . . . 764 HIS CD2 . 16439 1 901 . 1 1 81 81 HIS N N 15 113.752 0.033 . 1 . . . . 764 HIS N . 16439 1 902 . 1 1 82 82 LEU H H 1 7.540 0.003 . 1 . . . . 765 LEU H . 16439 1 903 . 1 1 82 82 LEU HA H 1 4.505 0.005 . 1 . . . . 765 LEU HA . 16439 1 904 . 1 1 82 82 LEU HB2 H 1 1.647 0.009 . 2 . . . . 765 LEU HB2 . 16439 1 905 . 1 1 82 82 LEU HB3 H 1 1.799 0.008 . 2 . . . . 765 LEU HB3 . 16439 1 906 . 1 1 82 82 LEU HD11 H 1 0.575 0.013 . 2 . . . . 765 LEU HD11 . 16439 1 907 . 1 1 82 82 LEU HD12 H 1 0.575 0.013 . 2 . . . . 765 LEU HD12 . 16439 1 908 . 1 1 82 82 LEU HD13 H 1 0.575 0.013 . 2 . . . . 765 LEU HD13 . 16439 1 909 . 1 1 82 82 LEU HD21 H 1 0.916 0.009 . 2 . . . . 765 LEU HD21 . 16439 1 910 . 1 1 82 82 LEU HD22 H 1 0.916 0.009 . 2 . . . . 765 LEU HD22 . 16439 1 911 . 1 1 82 82 LEU HD23 H 1 0.916 0.009 . 2 . . . . 765 LEU HD23 . 16439 1 912 . 1 1 82 82 LEU HG H 1 1.062 0.010 . 1 . . . . 765 LEU HG . 16439 1 913 . 1 1 82 82 LEU C C 13 174.797 0.002 . 1 . . . . 765 LEU C . 16439 1 914 . 1 1 82 82 LEU CA C 13 54.179 0.038 . 1 . . . . 765 LEU CA . 16439 1 915 . 1 1 82 82 LEU CB C 13 43.497 0.063 . 1 . . . . 765 LEU CB . 16439 1 916 . 1 1 82 82 LEU CD1 C 13 26.198 0.061 . 2 . . . . 765 LEU CD1 . 16439 1 917 . 1 1 82 82 LEU CD2 C 13 23.395 0.075 . 2 . . . . 765 LEU CD2 . 16439 1 918 . 1 1 82 82 LEU CG C 13 26.298 0.071 . 1 . . . . 765 LEU CG . 16439 1 919 . 1 1 82 82 LEU N N 15 120.583 0.032 . 1 . . . . 765 LEU N . 16439 1 920 . 1 1 83 83 LYS H H 1 7.219 0.005 . 1 . . . . 766 LYS H . 16439 1 921 . 1 1 83 83 LYS HA H 1 3.971 0.005 . 1 . . . . 766 LYS HA . 16439 1 922 . 1 1 83 83 LYS HB2 H 1 1.764 0.005 . 2 . . . . 766 LYS HB2 . 16439 1 923 . 1 1 83 83 LYS HB3 H 1 1.913 0.006 . 2 . . . . 766 LYS HB3 . 16439 1 924 . 1 1 83 83 LYS HD2 H 1 1.710 0.011 . 1 . . . . 766 LYS HD2 . 16439 1 925 . 1 1 83 83 LYS HE2 H 1 2.987 0.010 . 1 . . . . 766 LYS HE2 . 16439 1 926 . 1 1 83 83 LYS HG2 H 1 1.359 0.009 . 2 . . . . 766 LYS HG2 . 16439 1 927 . 1 1 83 83 LYS HG3 H 1 1.487 0.002 . 2 . . . . 766 LYS HG3 . 16439 1 928 . 1 1 83 83 LYS C C 13 175.315 0.008 . 1 . . . . 766 LYS C . 16439 1 929 . 1 1 83 83 LYS CA C 13 59.181 0.040 . 1 . . . . 766 LYS CA . 16439 1 930 . 1 1 83 83 LYS CB C 13 32.546 0.051 . 1 . . . . 766 LYS CB . 16439 1 931 . 1 1 83 83 LYS CD C 13 29.468 0.074 . 1 . . . . 766 LYS CD . 16439 1 932 . 1 1 83 83 LYS CE C 13 42.220 0.059 . 1 . . . . 766 LYS CE . 16439 1 933 . 1 1 83 83 LYS CG C 13 24.185 0.146 . 1 . . . . 766 LYS CG . 16439 1 934 . 1 1 83 83 LYS N N 15 117.744 0.029 . 1 . . . . 766 LYS N . 16439 1 935 . 1 1 84 84 ASN H H 1 8.499 0.004 . 1 . . . . 767 ASN H . 16439 1 936 . 1 1 84 84 ASN HA H 1 4.722 0.004 . 1 . . . . 767 ASN HA . 16439 1 937 . 1 1 84 84 ASN HB2 H 1 2.724 0.011 . 2 . . . . 767 ASN HB2 . 16439 1 938 . 1 1 84 84 ASN HB3 H 1 2.900 0.010 . 2 . . . . 767 ASN HB3 . 16439 1 939 . 1 1 84 84 ASN HD21 H 1 6.970 0.004 . 1 . . . . 767 ASN HD21 . 16439 1 940 . 1 1 84 84 ASN HD22 H 1 7.603 0.004 . 1 . . . . 767 ASN HD22 . 16439 1 941 . 1 1 84 84 ASN C C 13 177.068 0.000 . 1 . . . . 767 ASN C . 16439 1 942 . 1 1 84 84 ASN CA C 13 53.103 0.053 . 1 . . . . 767 ASN CA . 16439 1 943 . 1 1 84 84 ASN CB C 13 38.479 0.060 . 1 . . . . 767 ASN CB . 16439 1 944 . 1 1 84 84 ASN N N 15 115.608 0.047 . 1 . . . . 767 ASN N . 16439 1 945 . 1 1 84 84 ASN ND2 N 15 113.422 0.025 . 1 . . . . 767 ASN ND2 . 16439 1 946 . 1 1 85 85 LYS H H 1 7.675 0.002 . 1 . . . . 768 LYS H . 16439 1 947 . 1 1 85 85 LYS HA H 1 4.062 0.009 . 1 . . . . 768 LYS HA . 16439 1 948 . 1 1 85 85 LYS HB2 H 1 1.380 0.004 . 2 . . . . 768 LYS HB2 . 16439 1 949 . 1 1 85 85 LYS HB3 H 1 1.586 0.006 . 2 . . . . 768 LYS HB3 . 16439 1 950 . 1 1 85 85 LYS HD2 H 1 1.424 0.000 . 2 . . . . 768 LYS HD2 . 16439 1 951 . 1 1 85 85 LYS HD3 H 1 1.492 0.000 . 2 . . . . 768 LYS HD3 . 16439 1 952 . 1 1 85 85 LYS HE2 H 1 2.750 0.011 . 2 . . . . 768 LYS HE2 . 16439 1 953 . 1 1 85 85 LYS HE3 H 1 2.834 0.014 . 2 . . . . 768 LYS HE3 . 16439 1 954 . 1 1 85 85 LYS HG2 H 1 1.205 0.011 . 1 . . . . 768 LYS HG2 . 16439 1 955 . 1 1 85 85 LYS C C 13 175.827 0.000 . 1 . . . . 768 LYS C . 16439 1 956 . 1 1 85 85 LYS CA C 13 56.753 0.071 . 1 . . . . 768 LYS CA . 16439 1 957 . 1 1 85 85 LYS CB C 13 32.760 0.052 . 1 . . . . 768 LYS CB . 16439 1 958 . 1 1 85 85 LYS CE C 13 42.004 0.064 . 1 . . . . 768 LYS CE . 16439 1 959 . 1 1 85 85 LYS CG C 13 24.611 0.057 . 1 . . . . 768 LYS CG . 16439 1 960 . 1 1 85 85 LYS N N 15 122.270 0.025 . 1 . . . . 768 LYS N . 16439 1 961 . 1 1 86 86 LYS H H 1 8.545 0.008 . 1 . . . . 769 LYS H . 16439 1 962 . 1 1 86 86 LYS HA H 1 4.390 0.010 . 1 . . . . 769 LYS HA . 16439 1 963 . 1 1 86 86 LYS HB2 H 1 1.720 0.006 . 2 . . . . 769 LYS HB2 . 16439 1 964 . 1 1 86 86 LYS HB3 H 1 1.887 0.006 . 2 . . . . 769 LYS HB3 . 16439 1 965 . 1 1 86 86 LYS HD2 H 1 1.643 0.010 . 1 . . . . 769 LYS HD2 . 16439 1 966 . 1 1 86 86 LYS HE2 H 1 2.948 0.003 . 1 . . . . 769 LYS HE2 . 16439 1 967 . 1 1 86 86 LYS HG2 H 1 1.402 0.017 . 2 . . . . 769 LYS HG2 . 16439 1 968 . 1 1 86 86 LYS HG3 H 1 1.448 0.005 . 2 . . . . 769 LYS HG3 . 16439 1 969 . 1 1 86 86 LYS C C 13 175.407 0.004 . 1 . . . . 769 LYS C . 16439 1 970 . 1 1 86 86 LYS CA C 13 56.740 0.070 . 1 . . . . 769 LYS CA . 16439 1 971 . 1 1 86 86 LYS CB C 13 33.813 0.075 . 1 . . . . 769 LYS CB . 16439 1 972 . 1 1 86 86 LYS CD C 13 28.740 0.053 . 1 . . . . 769 LYS CD . 16439 1 973 . 1 1 86 86 LYS CE C 13 42.210 0.082 . 1 . . . . 769 LYS CE . 16439 1 974 . 1 1 86 86 LYS CG C 13 24.797 0.088 . 1 . . . . 769 LYS CG . 16439 1 975 . 1 1 86 86 LYS N N 15 121.929 0.063 . 1 . . . . 769 LYS N . 16439 1 976 . 1 1 87 87 GLU H H 1 7.293 0.003 . 1 . . . . 770 GLU H . 16439 1 977 . 1 1 87 87 GLU HA H 1 5.107 0.006 . 1 . . . . 770 GLU HA . 16439 1 978 . 1 1 87 87 GLU HB2 H 1 1.644 0.004 . 2 . . . . 770 GLU HB2 . 16439 1 979 . 1 1 87 87 GLU HB3 H 1 1.873 0.005 . 2 . . . . 770 GLU HB3 . 16439 1 980 . 1 1 87 87 GLU HG2 H 1 1.978 0.009 . 1 . . . . 770 GLU HG2 . 16439 1 981 . 1 1 87 87 GLU C C 13 178.111 0.056 . 1 . . . . 770 GLU C . 16439 1 982 . 1 1 87 87 GLU CA C 13 54.460 0.044 . 1 . . . . 770 GLU CA . 16439 1 983 . 1 1 87 87 GLU CB C 13 33.205 0.070 . 1 . . . . 770 GLU CB . 16439 1 984 . 1 1 87 87 GLU CG C 13 35.880 0.071 . 1 . . . . 770 GLU CG . 16439 1 985 . 1 1 87 87 GLU N N 15 116.066 0.033 . 1 . . . . 770 GLU N . 16439 1 986 . 1 1 88 88 PHE H H 1 8.989 0.004 . 1 . . . . 771 PHE H . 16439 1 987 . 1 1 88 88 PHE HA H 1 4.598 0.006 . 1 . . . . 771 PHE HA . 16439 1 988 . 1 1 88 88 PHE HB2 H 1 2.594 0.005 . 2 . . . . 771 PHE HB2 . 16439 1 989 . 1 1 88 88 PHE HB3 H 1 3.108 0.008 . 2 . . . . 771 PHE HB3 . 16439 1 990 . 1 1 88 88 PHE HD1 H 1 7.273 0.003 . 3 . . . . 771 PHE HD1 . 16439 1 991 . 1 1 88 88 PHE HD2 H 1 7.273 0.003 . 3 . . . . 771 PHE HD2 . 16439 1 992 . 1 1 88 88 PHE HE1 H 1 7.272 0.004 . 3 . . . . 771 PHE HE1 . 16439 1 993 . 1 1 88 88 PHE HE2 H 1 7.272 0.004 . 3 . . . . 771 PHE HE2 . 16439 1 994 . 1 1 88 88 PHE C C 13 178.028 0.076 . 1 . . . . 771 PHE C . 16439 1 995 . 1 1 88 88 PHE CA C 13 57.010 0.058 . 1 . . . . 771 PHE CA . 16439 1 996 . 1 1 88 88 PHE CB C 13 42.733 0.069 . 1 . . . . 771 PHE CB . 16439 1 997 . 1 1 88 88 PHE CD1 C 13 132.164 0.000 . 3 . . . . 771 PHE CD1 . 16439 1 998 . 1 1 88 88 PHE CD2 C 13 132.164 0.000 . 3 . . . . 771 PHE CD2 . 16439 1 999 . 1 1 88 88 PHE CE1 C 13 131.557 0.104 . 3 . . . . 771 PHE CE1 . 16439 1 1000 . 1 1 88 88 PHE CE2 C 13 131.557 0.104 . 3 . . . . 771 PHE CE2 . 16439 1 1001 . 1 1 88 88 PHE N N 15 119.588 0.024 . 1 . . . . 771 PHE N . 16439 1 1002 . 1 1 89 89 ASP H H 1 8.568 0.002 . 1 . . . . 772 ASP H . 16439 1 1003 . 1 1 89 89 ASP HA H 1 4.491 0.014 . 1 . . . . 772 ASP HA . 16439 1 1004 . 1 1 89 89 ASP HB2 H 1 2.436 0.012 . 2 . . . . 772 ASP HB2 . 16439 1 1005 . 1 1 89 89 ASP HB3 H 1 2.649 0.019 . 2 . . . . 772 ASP HB3 . 16439 1 1006 . 1 1 89 89 ASP C C 13 174.433 0.001 . 1 . . . . 772 ASP C . 16439 1 1007 . 1 1 89 89 ASP CA C 13 54.546 0.053 . 1 . . . . 772 ASP CA . 16439 1 1008 . 1 1 89 89 ASP CB C 13 41.831 0.062 . 1 . . . . 772 ASP CB . 16439 1 1009 . 1 1 89 89 ASP N N 15 119.841 0.035 . 1 . . . . 772 ASP N . 16439 1 1010 . 1 1 90 90 HIS H H 1 9.078 0.006 . 1 . . . . 773 HIS H . 16439 1 1011 . 1 1 90 90 HIS HA H 1 4.015 0.006 . 1 . . . . 773 HIS HA . 16439 1 1012 . 1 1 90 90 HIS HB2 H 1 2.801 0.008 . 2 . . . . 773 HIS HB2 . 16439 1 1013 . 1 1 90 90 HIS HB3 H 1 3.021 0.010 . 2 . . . . 773 HIS HB3 . 16439 1 1014 . 1 1 90 90 HIS HD2 H 1 6.901 0.003 . 1 . . . . 773 HIS HD2 . 16439 1 1015 . 1 1 90 90 HIS C C 13 176.084 0.001 . 1 . . . . 773 HIS C . 16439 1 1016 . 1 1 90 90 HIS CA C 13 59.310 0.041 . 1 . . . . 773 HIS CA . 16439 1 1017 . 1 1 90 90 HIS CB C 13 31.846 0.052 . 1 . . . . 773 HIS CB . 16439 1 1018 . 1 1 90 90 HIS CD2 C 13 118.941 0.051 . 1 . . . . 773 HIS CD2 . 16439 1 1019 . 1 1 90 90 HIS N N 15 122.373 0.052 . 1 . . . . 773 HIS N . 16439 1 1020 . 1 1 91 91 ASN H H 1 9.275 0.005 . 1 . . . . 774 ASN H . 16439 1 1021 . 1 1 91 91 ASN HA H 1 4.054 0.007 . 1 . . . . 774 ASN HA . 16439 1 1022 . 1 1 91 91 ASN HB2 H 1 2.611 0.006 . 2 . . . . 774 ASN HB2 . 16439 1 1023 . 1 1 91 91 ASN HB3 H 1 2.971 0.007 . 2 . . . . 774 ASN HB3 . 16439 1 1024 . 1 1 91 91 ASN HD21 H 1 6.654 0.005 . 1 . . . . 774 ASN HD21 . 16439 1 1025 . 1 1 91 91 ASN HD22 H 1 7.467 0.005 . 1 . . . . 774 ASN HD22 . 16439 1 1026 . 1 1 91 91 ASN C C 13 176.278 0.043 . 1 . . . . 774 ASN C . 16439 1 1027 . 1 1 91 91 ASN CA C 13 54.096 0.050 . 1 . . . . 774 ASN CA . 16439 1 1028 . 1 1 91 91 ASN CB C 13 37.051 0.066 . 1 . . . . 774 ASN CB . 16439 1 1029 . 1 1 91 91 ASN N N 15 122.912 0.051 . 1 . . . . 774 ASN N . 16439 1 1030 . 1 1 91 91 ASN ND2 N 15 109.715 0.013 . 1 . . . . 774 ASN ND2 . 16439 1 1031 . 1 1 92 92 SER H H 1 7.983 0.004 . 1 . . . . 775 SER H . 16439 1 1032 . 1 1 92 92 SER HA H 1 4.477 0.002 . 1 . . . . 775 SER HA . 16439 1 1033 . 1 1 92 92 SER HB2 H 1 3.975 0.009 . 1 . . . . 775 SER HB2 . 16439 1 1034 . 1 1 92 92 SER C C 13 179.768 0.009 . 1 . . . . 775 SER C . 16439 1 1035 . 1 1 92 92 SER CA C 13 60.660 0.080 . 1 . . . . 775 SER CA . 16439 1 1036 . 1 1 92 92 SER CB C 13 63.898 0.053 . 1 . . . . 775 SER CB . 16439 1 1037 . 1 1 92 92 SER N N 15 115.444 0.034 . 1 . . . . 775 SER N . 16439 1 1038 . 1 1 93 93 ASN H H 1 8.842 0.004 . 1 . . . . 776 ASN H . 16439 1 1039 . 1 1 93 93 ASN HA H 1 5.466 0.005 . 1 . . . . 776 ASN HA . 16439 1 1040 . 1 1 93 93 ASN HB2 H 1 2.741 0.015 . 2 . . . . 776 ASN HB2 . 16439 1 1041 . 1 1 93 93 ASN HB3 H 1 2.789 0.013 . 2 . . . . 776 ASN HB3 . 16439 1 1042 . 1 1 93 93 ASN HD21 H 1 7.031 0.006 . 1 . . . . 776 ASN HD21 . 16439 1 1043 . 1 1 93 93 ASN HD22 H 1 7.452 0.003 . 1 . . . . 776 ASN HD22 . 16439 1 1044 . 1 1 93 93 ASN C C 13 177.140 0.003 . 1 . . . . 776 ASN C . 16439 1 1045 . 1 1 93 93 ASN CA C 13 52.435 0.045 . 1 . . . . 776 ASN CA . 16439 1 1046 . 1 1 93 93 ASN CB C 13 40.891 0.073 . 1 . . . . 776 ASN CB . 16439 1 1047 . 1 1 93 93 ASN N N 15 123.037 0.056 . 1 . . . . 776 ASN N . 16439 1 1048 . 1 1 93 93 ASN ND2 N 15 113.403 0.039 . 1 . . . . 776 ASN ND2 . 16439 1 1049 . 1 1 94 94 ILE H H 1 8.691 0.008 . 1 . . . . 777 ILE H . 16439 1 1050 . 1 1 94 94 ILE HA H 1 4.711 0.009 . 1 . . . . 777 ILE HA . 16439 1 1051 . 1 1 94 94 ILE HB H 1 1.483 0.008 . 1 . . . . 777 ILE HB . 16439 1 1052 . 1 1 94 94 ILE HD11 H 1 -0.531 0.005 . 1 . . . . 777 ILE HD11 . 16439 1 1053 . 1 1 94 94 ILE HD12 H 1 -0.531 0.005 . 1 . . . . 777 ILE HD12 . 16439 1 1054 . 1 1 94 94 ILE HD13 H 1 -0.531 0.005 . 1 . . . . 777 ILE HD13 . 16439 1 1055 . 1 1 94 94 ILE HG12 H 1 0.320 0.008 . 2 . . . . 777 ILE HG12 . 16439 1 1056 . 1 1 94 94 ILE HG13 H 1 0.681 0.008 . 2 . . . . 777 ILE HG13 . 16439 1 1057 . 1 1 94 94 ILE HG21 H 1 0.370 0.004 . 1 . . . . 777 ILE HG21 . 16439 1 1058 . 1 1 94 94 ILE HG22 H 1 0.370 0.004 . 1 . . . . 777 ILE HG22 . 16439 1 1059 . 1 1 94 94 ILE HG23 H 1 0.370 0.004 . 1 . . . . 777 ILE HG23 . 16439 1 1060 . 1 1 94 94 ILE C C 13 177.903 0.003 . 1 . . . . 777 ILE C . 16439 1 1061 . 1 1 94 94 ILE CA C 13 59.530 0.050 . 1 . . . . 777 ILE CA . 16439 1 1062 . 1 1 94 94 ILE CB C 13 42.574 0.059 . 1 . . . . 777 ILE CB . 16439 1 1063 . 1 1 94 94 ILE CD1 C 13 12.432 0.060 . 1 . . . . 777 ILE CD1 . 16439 1 1064 . 1 1 94 94 ILE CG1 C 13 25.920 0.062 . 1 . . . . 777 ILE CG1 . 16439 1 1065 . 1 1 94 94 ILE CG2 C 13 17.735 0.041 . 1 . . . . 777 ILE CG2 . 16439 1 1066 . 1 1 94 94 ILE N N 15 116.481 0.037 . 1 . . . . 777 ILE N . 16439 1 1067 . 1 1 95 95 ARG H H 1 7.580 0.007 . 1 . . . . 778 ARG H . 16439 1 1068 . 1 1 95 95 ARG HA H 1 5.400 0.005 . 1 . . . . 778 ARG HA . 16439 1 1069 . 1 1 95 95 ARG HB2 H 1 1.234 0.011 . 1 . . . . 778 ARG HB2 . 16439 1 1070 . 1 1 95 95 ARG HD2 H 1 2.356 0.005 . 2 . . . . 778 ARG HD2 . 16439 1 1071 . 1 1 95 95 ARG HD3 H 1 2.678 0.007 . 2 . . . . 778 ARG HD3 . 16439 1 1072 . 1 1 95 95 ARG HG2 H 1 1.148 0.008 . 1 . . . . 778 ARG HG2 . 16439 1 1073 . 1 1 95 95 ARG C C 13 177.792 0.016 . 1 . . . . 778 ARG C . 16439 1 1074 . 1 1 95 95 ARG CA C 13 53.662 0.045 . 1 . . . . 778 ARG CA . 16439 1 1075 . 1 1 95 95 ARG CB C 13 33.025 0.049 . 1 . . . . 778 ARG CB . 16439 1 1076 . 1 1 95 95 ARG CD C 13 43.655 0.101 . 1 . . . . 778 ARG CD . 16439 1 1077 . 1 1 95 95 ARG CG C 13 26.226 0.056 . 1 . . . . 778 ARG CG . 16439 1 1078 . 1 1 95 95 ARG N N 15 118.258 0.048 . 1 . . . . 778 ARG N . 16439 1 1079 . 1 1 96 96 TYR H H 1 9.283 0.004 . 1 . . . . 779 TYR H . 16439 1 1080 . 1 1 96 96 TYR HA H 1 5.676 0.006 . 1 . . . . 779 TYR HA . 16439 1 1081 . 1 1 96 96 TYR HB2 H 1 2.340 0.009 . 2 . . . . 779 TYR HB2 . 16439 1 1082 . 1 1 96 96 TYR HB3 H 1 2.821 0.008 . 2 . . . . 779 TYR HB3 . 16439 1 1083 . 1 1 96 96 TYR HD1 H 1 6.372 0.003 . 3 . . . . 779 TYR HD1 . 16439 1 1084 . 1 1 96 96 TYR HD2 H 1 6.372 0.003 . 3 . . . . 779 TYR HD2 . 16439 1 1085 . 1 1 96 96 TYR HE1 H 1 6.289 0.004 . 3 . . . . 779 TYR HE1 . 16439 1 1086 . 1 1 96 96 TYR HE2 H 1 6.289 0.004 . 3 . . . . 779 TYR HE2 . 16439 1 1087 . 1 1 96 96 TYR C C 13 179.691 0.004 . 1 . . . . 779 TYR C . 16439 1 1088 . 1 1 96 96 TYR CA C 13 55.593 0.046 . 1 . . . . 779 TYR CA . 16439 1 1089 . 1 1 96 96 TYR CB C 13 43.159 0.114 . 1 . . . . 779 TYR CB . 16439 1 1090 . 1 1 96 96 TYR CD1 C 13 133.228 0.051 . 3 . . . . 779 TYR CD1 . 16439 1 1091 . 1 1 96 96 TYR CD2 C 13 133.228 0.051 . 3 . . . . 779 TYR CD2 . 16439 1 1092 . 1 1 96 96 TYR CE1 C 13 118.026 0.083 . 3 . . . . 779 TYR CE1 . 16439 1 1093 . 1 1 96 96 TYR CE2 C 13 118.026 0.083 . 3 . . . . 779 TYR CE2 . 16439 1 1094 . 1 1 96 96 TYR N N 15 119.766 0.040 . 1 . . . . 779 TYR N . 16439 1 1095 . 1 1 97 97 ARG H H 1 8.703 0.004 . 1 . . . . 780 ARG H . 16439 1 1096 . 1 1 97 97 ARG HA H 1 4.585 0.005 . 1 . . . . 780 ARG HA . 16439 1 1097 . 1 1 97 97 ARG HB2 H 1 0.849 0.006 . 2 . . . . 780 ARG HB2 . 16439 1 1098 . 1 1 97 97 ARG HB3 H 1 1.028 0.008 . 2 . . . . 780 ARG HB3 . 16439 1 1099 . 1 1 97 97 ARG HD2 H 1 1.744 0.008 . 2 . . . . 780 ARG HD2 . 16439 1 1100 . 1 1 97 97 ARG HD3 H 1 2.352 0.006 . 2 . . . . 780 ARG HD3 . 16439 1 1101 . 1 1 97 97 ARG HG2 H 1 0.344 0.009 . 2 . . . . 780 ARG HG2 . 16439 1 1102 . 1 1 97 97 ARG HG3 H 1 0.607 0.007 . 2 . . . . 780 ARG HG3 . 16439 1 1103 . 1 1 97 97 ARG C C 13 175.514 0.004 . 1 . . . . 780 ARG C . 16439 1 1104 . 1 1 97 97 ARG CA C 13 53.580 0.061 . 1 . . . . 780 ARG CA . 16439 1 1105 . 1 1 97 97 ARG CB C 13 33.507 0.052 . 1 . . . . 780 ARG CB . 16439 1 1106 . 1 1 97 97 ARG CD C 13 43.435 0.075 . 1 . . . . 780 ARG CD . 16439 1 1107 . 1 1 97 97 ARG CG C 13 26.092 0.089 . 1 . . . . 780 ARG CG . 16439 1 1108 . 1 1 97 97 ARG N N 15 116.863 0.038 . 1 . . . . 780 ARG N . 16439 1 1109 . 1 1 98 98 CYS H H 1 8.972 0.005 . 1 . . . . 781 CYS H . 16439 1 1110 . 1 1 98 98 CYS HA H 1 4.934 0.009 . 1 . . . . 781 CYS HA . 16439 1 1111 . 1 1 98 98 CYS HB2 H 1 2.434 0.007 . 2 . . . . 781 CYS HB2 . 16439 1 1112 . 1 1 98 98 CYS HB3 H 1 3.287 0.005 . 2 . . . . 781 CYS HB3 . 16439 1 1113 . 1 1 98 98 CYS C C 13 176.776 0.003 . 1 . . . . 781 CYS C . 16439 1 1114 . 1 1 98 98 CYS CA C 13 54.147 0.054 . 1 . . . . 781 CYS CA . 16439 1 1115 . 1 1 98 98 CYS CB C 13 38.857 0.073 . 1 . . . . 781 CYS CB . 16439 1 1116 . 1 1 98 98 CYS N N 15 120.670 0.040 . 1 . . . . 781 CYS N . 16439 1 1117 . 1 1 99 99 ARG H H 1 8.599 0.009 . 1 . . . . 782 ARG H . 16439 1 1118 . 1 1 99 99 ARG HA H 1 3.798 0.009 . 1 . . . . 782 ARG HA . 16439 1 1119 . 1 1 99 99 ARG HB2 H 1 1.672 0.008 . 1 . . . . 782 ARG HB2 . 16439 1 1120 . 1 1 99 99 ARG HD2 H 1 3.123 0.003 . 1 . . . . 782 ARG HD2 . 16439 1 1121 . 1 1 99 99 ARG HG2 H 1 1.554 0.006 . 1 . . . . 782 ARG HG2 . 16439 1 1122 . 1 1 99 99 ARG C C 13 174.459 0.006 . 1 . . . . 782 ARG C . 16439 1 1123 . 1 1 99 99 ARG CA C 13 58.480 0.073 . 1 . . . . 782 ARG CA . 16439 1 1124 . 1 1 99 99 ARG CB C 13 29.493 0.056 . 1 . . . . 782 ARG CB . 16439 1 1125 . 1 1 99 99 ARG CD C 13 43.415 0.073 . 1 . . . . 782 ARG CD . 16439 1 1126 . 1 1 99 99 ARG CG C 13 27.247 0.057 . 1 . . . . 782 ARG CG . 16439 1 1127 . 1 1 99 99 ARG N N 15 122.346 0.056 . 1 . . . . 782 ARG N . 16439 1 1128 . 1 1 100 100 GLY H H 1 8.688 0.012 . 1 . . . . 783 GLY H . 16439 1 1129 . 1 1 100 100 GLY HA2 H 1 3.692 0.006 . 2 . . . . 783 GLY HA2 . 16439 1 1130 . 1 1 100 100 GLY HA3 H 1 4.029 0.006 . 2 . . . . 783 GLY HA3 . 16439 1 1131 . 1 1 100 100 GLY C C 13 178.498 0.000 . 1 . . . . 783 GLY C . 16439 1 1132 . 1 1 100 100 GLY CA C 13 45.398 0.091 . 1 . . . . 783 GLY CA . 16439 1 1133 . 1 1 100 100 GLY N N 15 112.051 0.049 . 1 . . . . 783 GLY N . 16439 1 1134 . 1 1 101 101 LYS H H 1 7.705 0.004 . 1 . . . . 784 LYS H . 16439 1 1135 . 1 1 101 101 LYS HA H 1 4.630 0.006 . 1 . . . . 784 LYS HA . 16439 1 1136 . 1 1 101 101 LYS HB2 H 1 1.640 0.017 . 2 . . . . 784 LYS HB2 . 16439 1 1137 . 1 1 101 101 LYS HB3 H 1 1.714 0.022 . 2 . . . . 784 LYS HB3 . 16439 1 1138 . 1 1 101 101 LYS HD2 H 1 1.216 0.004 . 2 . . . . 784 LYS HD2 . 16439 1 1139 . 1 1 101 101 LYS HD3 H 1 1.275 0.011 . 2 . . . . 784 LYS HD3 . 16439 1 1140 . 1 1 101 101 LYS HE2 H 1 2.919 0.008 . 1 . . . . 784 LYS HE2 . 16439 1 1141 . 1 1 101 101 LYS C C 13 175.865 0.007 . 1 . . . . 784 LYS C . 16439 1 1142 . 1 1 101 101 LYS CA C 13 54.352 0.031 . 1 . . . . 784 LYS CA . 16439 1 1143 . 1 1 101 101 LYS CB C 13 35.005 0.056 . 1 . . . . 784 LYS CB . 16439 1 1144 . 1 1 101 101 LYS CD C 13 24.498 0.068 . 1 . . . . 784 LYS CD . 16439 1 1145 . 1 1 101 101 LYS CE C 13 42.303 0.032 . 1 . . . . 784 LYS CE . 16439 1 1146 . 1 1 101 101 LYS CG C 13 24.465 0.000 . 1 . . . . 784 LYS CG . 16439 1 1147 . 1 1 101 101 LYS N N 15 119.113 0.028 . 1 . . . . 784 LYS N . 16439 1 1148 . 1 1 102 102 GLU H H 1 8.546 0.005 . 1 . . . . 785 GLU H . 16439 1 1149 . 1 1 102 102 GLU HA H 1 4.031 0.005 . 1 . . . . 785 GLU HA . 16439 1 1150 . 1 1 102 102 GLU HB2 H 1 1.806 0.006 . 2 . . . . 785 GLU HB2 . 16439 1 1151 . 1 1 102 102 GLU HB3 H 1 1.899 0.007 . 2 . . . . 785 GLU HB3 . 16439 1 1152 . 1 1 102 102 GLU HG2 H 1 2.158 0.002 . 1 . . . . 785 GLU HG2 . 16439 1 1153 . 1 1 102 102 GLU C C 13 175.153 0.005 . 1 . . . . 785 GLU C . 16439 1 1154 . 1 1 102 102 GLU CA C 13 56.586 0.041 . 1 . . . . 785 GLU CA . 16439 1 1155 . 1 1 102 102 GLU CB C 13 30.844 0.014 . 1 . . . . 785 GLU CB . 16439 1 1156 . 1 1 102 102 GLU CG C 13 36.095 0.054 . 1 . . . . 785 GLU CG . 16439 1 1157 . 1 1 102 102 GLU N N 15 122.320 0.049 . 1 . . . . 785 GLU N . 16439 1 1158 . 1 1 103 103 GLY H H 1 8.011 0.003 . 1 . . . . 786 GLY H . 16439 1 1159 . 1 1 103 103 GLY HA2 H 1 3.624 0.009 . 2 . . . . 786 GLY HA2 . 16439 1 1160 . 1 1 103 103 GLY HA3 H 1 3.977 0.016 . 2 . . . . 786 GLY HA3 . 16439 1 1161 . 1 1 103 103 GLY C C 13 179.584 0.002 . 1 . . . . 786 GLY C . 16439 1 1162 . 1 1 103 103 GLY CA C 13 44.898 0.098 . 1 . . . . 786 GLY CA . 16439 1 1163 . 1 1 103 103 GLY N N 15 110.148 0.045 . 1 . . . . 786 GLY N . 16439 1 1164 . 1 1 104 104 TRP H H 1 8.216 0.002 . 1 . . . . 787 TRP H . 16439 1 1165 . 1 1 104 104 TRP HA H 1 4.585 0.004 . 1 . . . . 787 TRP HA . 16439 1 1166 . 1 1 104 104 TRP HB2 H 1 2.680 0.011 . 2 . . . . 787 TRP HB2 . 16439 1 1167 . 1 1 104 104 TRP HB3 H 1 2.914 0.007 . 2 . . . . 787 TRP HB3 . 16439 1 1168 . 1 1 104 104 TRP HD1 H 1 7.223 0.002 . 1 . . . . 787 TRP HD1 . 16439 1 1169 . 1 1 104 104 TRP HE1 H 1 10.099 0.002 . 1 . . . . 787 TRP HE1 . 16439 1 1170 . 1 1 104 104 TRP HE3 H 1 6.988 0.003 . 1 . . . . 787 TRP HE3 . 16439 1 1171 . 1 1 104 104 TRP HH2 H 1 6.942 0.005 . 1 . . . . 787 TRP HH2 . 16439 1 1172 . 1 1 104 104 TRP HZ2 H 1 7.439 0.005 . 1 . . . . 787 TRP HZ2 . 16439 1 1173 . 1 1 104 104 TRP C C 13 175.469 0.003 . 1 . . . . 787 TRP C . 16439 1 1174 . 1 1 104 104 TRP CA C 13 56.583 0.101 . 1 . . . . 787 TRP CA . 16439 1 1175 . 1 1 104 104 TRP CB C 13 31.107 0.059 . 1 . . . . 787 TRP CB . 16439 1 1176 . 1 1 104 104 TRP CD1 C 13 127.796 0.021 . 1 . . . . 787 TRP CD1 . 16439 1 1177 . 1 1 104 104 TRP CE3 C 13 122.361 0.057 . 1 . . . . 787 TRP CE3 . 16439 1 1178 . 1 1 104 104 TRP CH2 C 13 124.203 0.069 . 1 . . . . 787 TRP CH2 . 16439 1 1179 . 1 1 104 104 TRP CZ2 C 13 114.339 0.072 . 1 . . . . 787 TRP CZ2 . 16439 1 1180 . 1 1 104 104 TRP N N 15 122.547 0.022 . 1 . . . . 787 TRP N . 16439 1 1181 . 1 1 104 104 TRP NE1 N 15 128.945 0.036 . 1 . . . . 787 TRP NE1 . 16439 1 1182 . 1 1 105 105 ILE H H 1 9.415 0.004 . 1 . . . . 788 ILE H . 16439 1 1183 . 1 1 105 105 ILE HA H 1 4.027 0.005 . 1 . . . . 788 ILE HA . 16439 1 1184 . 1 1 105 105 ILE HB H 1 0.359 0.009 . 1 . . . . 788 ILE HB . 16439 1 1185 . 1 1 105 105 ILE HD11 H 1 0.616 0.004 . 1 . . . . 788 ILE HD11 . 16439 1 1186 . 1 1 105 105 ILE HD12 H 1 0.616 0.004 . 1 . . . . 788 ILE HD12 . 16439 1 1187 . 1 1 105 105 ILE HD13 H 1 0.616 0.004 . 1 . . . . 788 ILE HD13 . 16439 1 1188 . 1 1 105 105 ILE HG12 H 1 1.128 0.002 . 1 . . . . 788 ILE HG12 . 16439 1 1189 . 1 1 105 105 ILE HG21 H 1 0.731 0.005 . 1 . . . . 788 ILE HG21 . 16439 1 1190 . 1 1 105 105 ILE HG22 H 1 0.731 0.005 . 1 . . . . 788 ILE HG22 . 16439 1 1191 . 1 1 105 105 ILE HG23 H 1 0.731 0.005 . 1 . . . . 788 ILE HG23 . 16439 1 1192 . 1 1 105 105 ILE C C 13 177.874 0.005 . 1 . . . . 788 ILE C . 16439 1 1193 . 1 1 105 105 ILE CA C 13 60.664 0.049 . 1 . . . . 788 ILE CA . 16439 1 1194 . 1 1 105 105 ILE CB C 13 39.456 0.068 . 1 . . . . 788 ILE CB . 16439 1 1195 . 1 1 105 105 ILE CD1 C 13 13.510 0.036 . 1 . . . . 788 ILE CD1 . 16439 1 1196 . 1 1 105 105 ILE CG1 C 13 26.854 0.007 . 1 . . . . 788 ILE CG1 . 16439 1 1197 . 1 1 105 105 ILE CG2 C 13 18.662 0.050 . 1 . . . . 788 ILE CG2 . 16439 1 1198 . 1 1 105 105 ILE N N 15 126.657 0.045 . 1 . . . . 788 ILE N . 16439 1 1199 . 1 1 106 106 HIS H H 1 8.176 0.005 . 1 . . . . 789 HIS H . 16439 1 1200 . 1 1 106 106 HIS HA H 1 5.332 0.007 . 1 . . . . 789 HIS HA . 16439 1 1201 . 1 1 106 106 HIS HB2 H 1 2.958 0.024 . 2 . . . . 789 HIS HB2 . 16439 1 1202 . 1 1 106 106 HIS HB3 H 1 3.043 0.007 . 2 . . . . 789 HIS HB3 . 16439 1 1203 . 1 1 106 106 HIS HD2 H 1 6.897 0.004 . 1 . . . . 789 HIS HD2 . 16439 1 1204 . 1 1 106 106 HIS C C 13 176.865 0.002 . 1 . . . . 789 HIS C . 16439 1 1205 . 1 1 106 106 HIS CA C 13 55.551 0.060 . 1 . . . . 789 HIS CA . 16439 1 1206 . 1 1 106 106 HIS CB C 13 31.970 0.073 . 1 . . . . 789 HIS CB . 16439 1 1207 . 1 1 106 106 HIS CD2 C 13 121.351 0.078 . 1 . . . . 789 HIS CD2 . 16439 1 1208 . 1 1 106 106 HIS N N 15 123.728 0.056 . 1 . . . . 789 HIS N . 16439 1 1209 . 1 1 107 107 THR H H 1 8.544 0.003 . 1 . . . . 790 THR H . 16439 1 1210 . 1 1 107 107 THR HA H 1 4.743 0.005 . 1 . . . . 790 THR HA . 16439 1 1211 . 1 1 107 107 THR HB H 1 4.235 0.011 . 1 . . . . 790 THR HB . 16439 1 1212 . 1 1 107 107 THR HG21 H 1 0.539 0.004 . 1 . . . . 790 THR HG21 . 16439 1 1213 . 1 1 107 107 THR HG22 H 1 0.539 0.004 . 1 . . . . 790 THR HG22 . 16439 1 1214 . 1 1 107 107 THR HG23 H 1 0.539 0.004 . 1 . . . . 790 THR HG23 . 16439 1 1215 . 1 1 107 107 THR C C 13 181.273 0.001 . 1 . . . . 790 THR C . 16439 1 1216 . 1 1 107 107 THR CA C 13 61.137 0.070 . 1 . . . . 790 THR CA . 16439 1 1217 . 1 1 107 107 THR CB C 13 67.905 0.070 . 1 . . . . 790 THR CB . 16439 1 1218 . 1 1 107 107 THR CG2 C 13 21.298 0.070 . 1 . . . . 790 THR CG2 . 16439 1 1219 . 1 1 107 107 THR N N 15 118.691 0.045 . 1 . . . . 790 THR N . 16439 1 1220 . 1 1 108 108 VAL H H 1 8.181 0.005 . 1 . . . . 791 VAL H . 16439 1 1221 . 1 1 108 108 VAL HA H 1 5.258 0.006 . 1 . . . . 791 VAL HA . 16439 1 1222 . 1 1 108 108 VAL HB H 1 2.041 0.007 . 1 . . . . 791 VAL HB . 16439 1 1223 . 1 1 108 108 VAL HG11 H 1 0.872 0.010 . 2 . . . . 791 VAL HG11 . 16439 1 1224 . 1 1 108 108 VAL HG12 H 1 0.872 0.010 . 2 . . . . 791 VAL HG12 . 16439 1 1225 . 1 1 108 108 VAL HG13 H 1 0.872 0.010 . 2 . . . . 791 VAL HG13 . 16439 1 1226 . 1 1 108 108 VAL HG21 H 1 0.889 0.004 . 2 . . . . 791 VAL HG21 . 16439 1 1227 . 1 1 108 108 VAL HG22 H 1 0.889 0.004 . 2 . . . . 791 VAL HG22 . 16439 1 1228 . 1 1 108 108 VAL HG23 H 1 0.889 0.004 . 2 . . . . 791 VAL HG23 . 16439 1 1229 . 1 1 108 108 VAL C C 13 177.517 0.006 . 1 . . . . 791 VAL C . 16439 1 1230 . 1 1 108 108 VAL CA C 13 59.765 0.038 . 1 . . . . 791 VAL CA . 16439 1 1231 . 1 1 108 108 VAL CB C 13 35.871 0.066 . 1 . . . . 791 VAL CB . 16439 1 1232 . 1 1 108 108 VAL CG1 C 13 21.041 0.000 . 2 . . . . 791 VAL CG1 . 16439 1 1233 . 1 1 108 108 VAL CG2 C 13 21.830 0.051 . 2 . . . . 791 VAL CG2 . 16439 1 1234 . 1 1 108 108 VAL N N 15 125.234 0.039 . 1 . . . . 791 VAL N . 16439 1 1235 . 1 1 109 109 CYS H H 1 8.489 0.003 . 1 . . . . 792 CYS H . 16439 1 1236 . 1 1 109 109 CYS HA H 1 4.135 0.006 . 1 . . . . 792 CYS HA . 16439 1 1237 . 1 1 109 109 CYS HB2 H 1 2.102 0.006 . 2 . . . . 792 CYS HB2 . 16439 1 1238 . 1 1 109 109 CYS HB3 H 1 2.636 0.008 . 2 . . . . 792 CYS HB3 . 16439 1 1239 . 1 1 109 109 CYS C C 13 178.724 0.010 . 1 . . . . 792 CYS C . 16439 1 1240 . 1 1 109 109 CYS CA C 13 54.175 0.064 . 1 . . . . 792 CYS CA . 16439 1 1241 . 1 1 109 109 CYS CB C 13 38.319 0.080 . 1 . . . . 792 CYS CB . 16439 1 1242 . 1 1 109 109 CYS N N 15 124.839 0.031 . 1 . . . . 792 CYS N . 16439 1 1243 . 1 1 110 110 ILE H H 1 9.210 0.010 . 1 . . . . 793 ILE H . 16439 1 1244 . 1 1 110 110 ILE HA H 1 4.671 0.005 . 1 . . . . 793 ILE HA . 16439 1 1245 . 1 1 110 110 ILE HB H 1 2.050 0.008 . 1 . . . . 793 ILE HB . 16439 1 1246 . 1 1 110 110 ILE HD11 H 1 0.797 0.005 . 1 . . . . 793 ILE HD11 . 16439 1 1247 . 1 1 110 110 ILE HD12 H 1 0.797 0.005 . 1 . . . . 793 ILE HD12 . 16439 1 1248 . 1 1 110 110 ILE HD13 H 1 0.797 0.005 . 1 . . . . 793 ILE HD13 . 16439 1 1249 . 1 1 110 110 ILE HG12 H 1 1.264 0.005 . 2 . . . . 793 ILE HG12 . 16439 1 1250 . 1 1 110 110 ILE HG13 H 1 1.531 0.003 . 2 . . . . 793 ILE HG13 . 16439 1 1251 . 1 1 110 110 ILE HG21 H 1 0.947 0.004 . 1 . . . . 793 ILE HG21 . 16439 1 1252 . 1 1 110 110 ILE HG22 H 1 0.947 0.004 . 1 . . . . 793 ILE HG22 . 16439 1 1253 . 1 1 110 110 ILE HG23 H 1 0.947 0.004 . 1 . . . . 793 ILE HG23 . 16439 1 1254 . 1 1 110 110 ILE C C 13 175.251 0.012 . 1 . . . . 793 ILE C . 16439 1 1255 . 1 1 110 110 ILE CA C 13 58.680 0.072 . 1 . . . . 793 ILE CA . 16439 1 1256 . 1 1 110 110 ILE CB C 13 36.923 0.081 . 1 . . . . 793 ILE CB . 16439 1 1257 . 1 1 110 110 ILE CD1 C 13 11.553 0.041 . 1 . . . . 793 ILE CD1 . 16439 1 1258 . 1 1 110 110 ILE CG1 C 13 25.915 0.040 . 1 . . . . 793 ILE CG1 . 16439 1 1259 . 1 1 110 110 ILE CG2 C 13 17.732 0.110 . 1 . . . . 793 ILE CG2 . 16439 1 1260 . 1 1 110 110 ILE N N 15 132.815 0.050 . 1 . . . . 793 ILE N . 16439 1 1261 . 1 1 111 111 ASN H H 1 12.138 0.010 . 1 . . . . 794 ASN H . 16439 1 1262 . 1 1 111 111 ASN HA H 1 4.405 0.006 . 1 . . . . 794 ASN HA . 16439 1 1263 . 1 1 111 111 ASN HB2 H 1 2.000 0.006 . 2 . . . . 794 ASN HB2 . 16439 1 1264 . 1 1 111 111 ASN HB3 H 1 3.062 0.008 . 2 . . . . 794 ASN HB3 . 16439 1 1265 . 1 1 111 111 ASN HD21 H 1 6.717 0.003 . 1 . . . . 794 ASN HD21 . 16439 1 1266 . 1 1 111 111 ASN HD22 H 1 7.469 0.006 . 1 . . . . 794 ASN HD22 . 16439 1 1267 . 1 1 111 111 ASN C C 13 176.781 0.017 . 1 . . . . 794 ASN C . 16439 1 1268 . 1 1 111 111 ASN CA C 13 53.394 0.058 . 1 . . . . 794 ASN CA . 16439 1 1269 . 1 1 111 111 ASN CB C 13 38.540 0.059 . 1 . . . . 794 ASN CB . 16439 1 1270 . 1 1 111 111 ASN N N 15 131.555 0.043 . 1 . . . . 794 ASN N . 16439 1 1271 . 1 1 111 111 ASN ND2 N 15 108.941 0.068 . 1 . . . . 794 ASN ND2 . 16439 1 1272 . 1 1 112 112 GLY H H 1 6.227 0.005 . 1 . . . . 795 GLY H . 16439 1 1273 . 1 1 112 112 GLY HA2 H 1 3.213 0.006 . 2 . . . . 795 GLY HA2 . 16439 1 1274 . 1 1 112 112 GLY HA3 H 1 3.904 0.007 . 2 . . . . 795 GLY HA3 . 16439 1 1275 . 1 1 112 112 GLY C C 13 178.549 0.005 . 1 . . . . 795 GLY C . 16439 1 1276 . 1 1 112 112 GLY CA C 13 45.868 0.073 . 1 . . . . 795 GLY CA . 16439 1 1277 . 1 1 112 112 GLY N N 15 102.098 0.048 . 1 . . . . 795 GLY N . 16439 1 1278 . 1 1 113 113 ARG H H 1 7.753 0.005 . 1 . . . . 796 ARG H . 16439 1 1279 . 1 1 113 113 ARG HA H 1 4.563 0.006 . 1 . . . . 796 ARG HA . 16439 1 1280 . 1 1 113 113 ARG HB2 H 1 1.668 0.015 . 2 . . . . 796 ARG HB2 . 16439 1 1281 . 1 1 113 113 ARG HB3 H 1 1.764 0.007 . 2 . . . . 796 ARG HB3 . 16439 1 1282 . 1 1 113 113 ARG HD2 H 1 3.157 0.008 . 2 . . . . 796 ARG HD2 . 16439 1 1283 . 1 1 113 113 ARG HD3 H 1 3.203 0.009 . 2 . . . . 796 ARG HD3 . 16439 1 1284 . 1 1 113 113 ARG HG2 H 1 1.544 0.007 . 2 . . . . 796 ARG HG2 . 16439 1 1285 . 1 1 113 113 ARG HG3 H 1 1.599 0.006 . 2 . . . . 796 ARG HG3 . 16439 1 1286 . 1 1 113 113 ARG C C 13 177.904 0.006 . 1 . . . . 796 ARG C . 16439 1 1287 . 1 1 113 113 ARG CA C 13 53.623 0.077 . 1 . . . . 796 ARG CA . 16439 1 1288 . 1 1 113 113 ARG CB C 13 33.008 0.042 . 1 . . . . 796 ARG CB . 16439 1 1289 . 1 1 113 113 ARG CD C 13 43.495 0.051 . 1 . . . . 796 ARG CD . 16439 1 1290 . 1 1 113 113 ARG CG C 13 26.847 0.085 . 1 . . . . 796 ARG CG . 16439 1 1291 . 1 1 113 113 ARG N N 15 123.338 0.047 . 1 . . . . 796 ARG N . 16439 1 1292 . 1 1 114 114 TRP H H 1 8.130 0.004 . 1 . . . . 797 TRP H . 16439 1 1293 . 1 1 114 114 TRP HA H 1 4.877 0.007 . 1 . . . . 797 TRP HA . 16439 1 1294 . 1 1 114 114 TRP HB2 H 1 2.780 0.004 . 2 . . . . 797 TRP HB2 . 16439 1 1295 . 1 1 114 114 TRP HB3 H 1 3.489 0.007 . 2 . . . . 797 TRP HB3 . 16439 1 1296 . 1 1 114 114 TRP HD1 H 1 7.171 0.005 . 1 . . . . 797 TRP HD1 . 16439 1 1297 . 1 1 114 114 TRP HE1 H 1 9.545 0.002 . 1 . . . . 797 TRP HE1 . 16439 1 1298 . 1 1 114 114 TRP HE3 H 1 7.256 0.004 . 1 . . . . 797 TRP HE3 . 16439 1 1299 . 1 1 114 114 TRP HH2 H 1 6.051 0.005 . 1 . . . . 797 TRP HH2 . 16439 1 1300 . 1 1 114 114 TRP HZ2 H 1 6.537 0.003 . 1 . . . . 797 TRP HZ2 . 16439 1 1301 . 1 1 114 114 TRP HZ3 H 1 6.546 0.004 . 1 . . . . 797 TRP HZ3 . 16439 1 1302 . 1 1 114 114 TRP C C 13 176.136 0.007 . 1 . . . . 797 TRP C . 16439 1 1303 . 1 1 114 114 TRP CA C 13 56.658 0.051 . 1 . . . . 797 TRP CA . 16439 1 1304 . 1 1 114 114 TRP CB C 13 29.696 0.063 . 1 . . . . 797 TRP CB . 16439 1 1305 . 1 1 114 114 TRP CD1 C 13 126.667 0.066 . 1 . . . . 797 TRP CD1 . 16439 1 1306 . 1 1 114 114 TRP CE3 C 13 122.776 0.048 . 1 . . . . 797 TRP CE3 . 16439 1 1307 . 1 1 114 114 TRP CH2 C 13 123.550 0.073 . 1 . . . . 797 TRP CH2 . 16439 1 1308 . 1 1 114 114 TRP CZ2 C 13 112.629 0.074 . 1 . . . . 797 TRP CZ2 . 16439 1 1309 . 1 1 114 114 TRP CZ3 C 13 121.488 0.061 . 1 . . . . 797 TRP CZ3 . 16439 1 1310 . 1 1 114 114 TRP N N 15 126.641 0.031 . 1 . . . . 797 TRP N . 16439 1 1311 . 1 1 114 114 TRP NE1 N 15 124.975 0.041 . 1 . . . . 797 TRP NE1 . 16439 1 1312 . 1 1 115 115 ASP H H 1 9.340 0.005 . 1 . . . . 798 ASP H . 16439 1 1313 . 1 1 115 115 ASP HA H 1 4.850 0.005 . 1 . . . . 798 ASP HA . 16439 1 1314 . 1 1 115 115 ASP HB2 H 1 2.258 0.005 . 2 . . . . 798 ASP HB2 . 16439 1 1315 . 1 1 115 115 ASP HB3 H 1 2.982 0.012 . 2 . . . . 798 ASP HB3 . 16439 1 1316 . 1 1 115 115 ASP C C 13 177.801 0.000 . 1 . . . . 798 ASP C . 16439 1 1317 . 1 1 115 115 ASP CA C 13 50.948 0.041 . 1 . . . . 798 ASP CA . 16439 1 1318 . 1 1 115 115 ASP CB C 13 44.436 0.052 . 1 . . . . 798 ASP CB . 16439 1 1319 . 1 1 115 115 ASP N N 15 124.394 0.036 . 1 . . . . 798 ASP N . 16439 1 1320 . 1 1 116 116 PRO HA H 1 4.960 0.007 . 1 . . . . 799 PRO HA . 16439 1 1321 . 1 1 116 116 PRO HB2 H 1 2.120 0.009 . 2 . . . . 799 PRO HB2 . 16439 1 1322 . 1 1 116 116 PRO HB3 H 1 2.528 0.005 . 2 . . . . 799 PRO HB3 . 16439 1 1323 . 1 1 116 116 PRO HD2 H 1 3.699 0.010 . 2 . . . . 799 PRO HD2 . 16439 1 1324 . 1 1 116 116 PRO HD3 H 1 3.900 0.011 . 2 . . . . 799 PRO HD3 . 16439 1 1325 . 1 1 116 116 PRO HG2 H 1 1.960 0.009 . 2 . . . . 799 PRO HG2 . 16439 1 1326 . 1 1 116 116 PRO HG3 H 1 2.078 0.004 . 2 . . . . 799 PRO HG3 . 16439 1 1327 . 1 1 116 116 PRO C C 13 175.094 0.000 . 1 . . . . 799 PRO C . 16439 1 1328 . 1 1 116 116 PRO CA C 13 63.000 0.064 . 1 . . . . 799 PRO CA . 16439 1 1329 . 1 1 116 116 PRO CB C 13 34.755 0.055 . 1 . . . . 799 PRO CB . 16439 1 1330 . 1 1 116 116 PRO CD C 13 50.346 0.082 . 1 . . . . 799 PRO CD . 16439 1 1331 . 1 1 116 116 PRO CG C 13 25.928 0.092 . 1 . . . . 799 PRO CG . 16439 1 1332 . 1 1 117 117 GLU H H 1 8.564 0.003 . 1 . . . . 800 GLU H . 16439 1 1333 . 1 1 117 117 GLU HA H 1 4.085 0.009 . 1 . . . . 800 GLU HA . 16439 1 1334 . 1 1 117 117 GLU HB2 H 1 1.968 0.014 . 1 . . . . 800 GLU HB2 . 16439 1 1335 . 1 1 117 117 GLU HG2 H 1 2.401 0.006 . 1 . . . . 800 GLU HG2 . 16439 1 1336 . 1 1 117 117 GLU C C 13 175.107 0.005 . 1 . . . . 800 GLU C . 16439 1 1337 . 1 1 117 117 GLU CA C 13 57.005 0.045 . 1 . . . . 800 GLU CA . 16439 1 1338 . 1 1 117 117 GLU CB C 13 30.297 0.071 . 1 . . . . 800 GLU CB . 16439 1 1339 . 1 1 117 117 GLU CG C 13 36.289 0.100 . 1 . . . . 800 GLU CG . 16439 1 1340 . 1 1 117 117 GLU N N 15 120.463 0.038 . 1 . . . . 800 GLU N . 16439 1 1341 . 1 1 118 118 VAL H H 1 8.460 0.005 . 1 . . . . 801 VAL H . 16439 1 1342 . 1 1 118 118 VAL HA H 1 3.635 0.007 . 1 . . . . 801 VAL HA . 16439 1 1343 . 1 1 118 118 VAL HB H 1 1.618 0.008 . 1 . . . . 801 VAL HB . 16439 1 1344 . 1 1 118 118 VAL HG11 H 1 0.179 0.006 . 2 . . . . 801 VAL HG11 . 16439 1 1345 . 1 1 118 118 VAL HG12 H 1 0.179 0.006 . 2 . . . . 801 VAL HG12 . 16439 1 1346 . 1 1 118 118 VAL HG13 H 1 0.179 0.006 . 2 . . . . 801 VAL HG13 . 16439 1 1347 . 1 1 118 118 VAL HG21 H 1 0.291 0.004 . 2 . . . . 801 VAL HG21 . 16439 1 1348 . 1 1 118 118 VAL HG22 H 1 0.291 0.004 . 2 . . . . 801 VAL HG22 . 16439 1 1349 . 1 1 118 118 VAL HG23 H 1 0.291 0.004 . 2 . . . . 801 VAL HG23 . 16439 1 1350 . 1 1 118 118 VAL C C 13 175.856 0.009 . 1 . . . . 801 VAL C . 16439 1 1351 . 1 1 118 118 VAL CA C 13 63.032 0.075 . 1 . . . . 801 VAL CA . 16439 1 1352 . 1 1 118 118 VAL CB C 13 31.402 0.058 . 1 . . . . 801 VAL CB . 16439 1 1353 . 1 1 118 118 VAL CG1 C 13 20.065 0.075 . 2 . . . . 801 VAL CG1 . 16439 1 1354 . 1 1 118 118 VAL CG2 C 13 21.176 0.066 . 2 . . . . 801 VAL CG2 . 16439 1 1355 . 1 1 118 118 VAL N N 15 124.626 0.031 . 1 . . . . 801 VAL N . 16439 1 1356 . 1 1 119 119 ASN H H 1 8.166 0.008 . 1 . . . . 802 ASN H . 16439 1 1357 . 1 1 119 119 ASN HA H 1 4.811 0.012 . 1 . . . . 802 ASN HA . 16439 1 1358 . 1 1 119 119 ASN HB2 H 1 2.597 0.008 . 2 . . . . 802 ASN HB2 . 16439 1 1359 . 1 1 119 119 ASN HB3 H 1 2.777 0.013 . 2 . . . . 802 ASN HB3 . 16439 1 1360 . 1 1 119 119 ASN HD21 H 1 6.863 0.004 . 1 . . . . 802 ASN HD21 . 16439 1 1361 . 1 1 119 119 ASN HD22 H 1 7.542 0.004 . 1 . . . . 802 ASN HD22 . 16439 1 1362 . 1 1 119 119 ASN C C 13 177.677 0.013 . 1 . . . . 802 ASN C . 16439 1 1363 . 1 1 119 119 ASN CA C 13 52.835 0.079 . 1 . . . . 802 ASN CA . 16439 1 1364 . 1 1 119 119 ASN CB C 13 40.009 0.076 . 1 . . . . 802 ASN CB . 16439 1 1365 . 1 1 119 119 ASN N N 15 125.602 0.030 . 1 . . . . 802 ASN N . 16439 1 1366 . 1 1 119 119 ASN ND2 N 15 112.280 0.018 . 1 . . . . 802 ASN ND2 . 16439 1 1367 . 1 1 120 120 CYS H H 1 8.409 0.007 . 1 . . . . 803 CYS H . 16439 1 1368 . 1 1 120 120 CYS HA H 1 5.032 0.007 . 1 . . . . 803 CYS HA . 16439 1 1369 . 1 1 120 120 CYS HB2 H 1 2.420 0.006 . 2 . . . . 803 CYS HB2 . 16439 1 1370 . 1 1 120 120 CYS HB3 H 1 3.447 0.008 . 2 . . . . 803 CYS HB3 . 16439 1 1371 . 1 1 120 120 CYS C C 13 177.903 0.026 . 1 . . . . 803 CYS C . 16439 1 1372 . 1 1 120 120 CYS CA C 13 53.225 0.069 . 1 . . . . 803 CYS CA . 16439 1 1373 . 1 1 120 120 CYS CB C 13 39.087 0.098 . 1 . . . . 803 CYS CB . 16439 1 1374 . 1 1 120 120 CYS N N 15 121.474 0.053 . 1 . . . . 803 CYS N . 16439 1 1375 . 1 1 121 121 SER H H 1 8.049 0.004 . 1 . . . . 804 SER H . 16439 1 1376 . 1 1 121 121 SER HA H 1 4.235 0.008 . 1 . . . . 804 SER HA . 16439 1 1377 . 1 1 121 121 SER HB2 H 1 3.835 0.004 . 1 . . . . 804 SER HB2 . 16439 1 1378 . 1 1 121 121 SER C C 13 173.362 0.000 . 1 . . . . 804 SER C . 16439 1 1379 . 1 1 121 121 SER CA C 13 60.377 0.052 . 1 . . . . 804 SER CA . 16439 1 1380 . 1 1 121 121 SER CB C 13 64.824 0.022 . 1 . . . . 804 SER CB . 16439 1 1381 . 1 1 121 121 SER N N 15 123.015 0.061 . 1 . . . . 804 SER N . 16439 1 stop_ save_