data_19147 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19147 _Entry.Title ; ZINC Binding Domain ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2013-04-06 _Entry.Accession_date 2013-04-06 _Entry.Last_release_date 2015-09-01 _Entry.Original_release_date 2015-09-01 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.81 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'NMR, 1 STRUCTURE' _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 Jeremiah Frye . J. . 19147 2 Nicholas Brown . G. . 19147 3 Georg Petzold . . . 19147 4 Edmond Watson . R. . 19147 5 Grace Royappa . R. . 19147 6 Amanda Nourse . . . 19147 7 Marc Jarvis . . . 19147 8 Richard Kriwacki . W. . 19147 9 Jan-Michael Peters . . . 19147 10 Holger Stark . . . 19147 11 Brenda Schulman . A. . 19147 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 19147 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID ZBR . 19147 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19147 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 355 19147 '15N chemical shifts' 86 19147 '1H chemical shifts' 601 19147 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2015-09-01 2014-01-01 update BMRB 'update ambiguity codes' 19147 1 . . 2014-01-24 2014-01-01 original author 'original release' 19147 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2CT7 . 19147 PDB 2JMO . 19147 PDB 2M6N 'BMRB Entry Tracking System' 19147 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 19147 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; EM Structure of APC/C_CDH1-EMI1: multimodal mechanism of E3 ligase shutdown ; _Citation.Status submitted _Citation.Type journal _Citation.Journal_abbrev 'Nat. Struct. Biol.' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Jeremiah Frye . . . 19147 1 2 Nicholas Brown . . . 19147 1 3 Georg Petzold . . . 19147 1 4 Edmond Watson . . . 19147 1 5 Grace Royappa . . . 19147 1 6 Amanda Nourse . . . 19147 1 7 Marc Jarvis . . . 19147 1 8 Richard Kriwacki . . . 19147 1 9 Jan-Michael Peters . . . 19147 1 10 Holger Stark . . . 19147 1 11 Brenda Schulman . . . 19147 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19147 _Assembly.ID 1 _Assembly.Name 'APC/C_CDH1-EMI1: multimodal mechanism of E3 ligase shutdown' _Assembly.BMRB_code . _Assembly.Number_of_components 3 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 APC/C_CDH1-EMI1 1 $APC-C_CDH1-EMI1 A . yes native no no . . . 19147 1 2 'ZINC ION_1' 2 $entity_ZN B . no native no no . . . 19147 1 3 'ZINC ION_2' 2 $entity_ZN C . no native no no . . . 19147 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 coordination single . 1 APC/C_CDH1-EMI1 1 CYS 17 17 SG . 2 'ZINC ION_1' 2 ZN 1 1 ZN . APC/C_CDH1-EMI1 17 CYS SG . 'ZINC ION_1' 1 ZN ZN 19147 1 2 coordination single . 1 APC/C_CDH1-EMI1 1 CYS 20 20 SG . 2 'ZINC ION_1' 2 ZN 1 1 ZN . APC/C_CDH1-EMI1 20 CYS SG . 'ZINC ION_1' 1 ZN ZN 19147 1 3 coordination single . 1 APC/C_CDH1-EMI1 1 CYS 35 35 SG . 2 'ZINC ION_1' 2 ZN 1 1 ZN . APC/C_CDH1-EMI1 35 CYS SG . 'ZINC ION_1' 1 ZN ZN 19147 1 4 coordination single . 1 APC/C_CDH1-EMI1 1 CYS 40 40 SG . 2 'ZINC ION_1' 2 ZN 1 1 ZN . APC/C_CDH1-EMI1 40 CYS SG . 'ZINC ION_1' 1 ZN ZN 19147 1 5 coordination single . 1 APC/C_CDH1-EMI1 1 CYS 45 45 SG . 2 'ZINC ION_1' 2 ZN 1 1 ZN . APC/C_CDH1-EMI1 45 CYS SG . 'ZINC ION_1' 1 ZN ZN 19147 1 6 coordination single . 1 APC/C_CDH1-EMI1 1 CYS 48 48 SG . 2 'ZINC ION_1' 2 ZN 1 1 ZN . APC/C_CDH1-EMI1 48 CYS SG . 'ZINC ION_1' 1 ZN ZN 19147 1 7 coordination single . 1 APC/C_CDH1-EMI1 1 CYS 58 58 SG . 2 'ZINC ION_1' 2 ZN 1 1 ZN . APC/C_CDH1-EMI1 58 CYS SG . 'ZINC ION_1' 1 ZN ZN 19147 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_APC-C_CDH1-EMI1 _Entity.Sf_category entity _Entity.Sf_framecode APC-C_CDH1-EMI1 _Entity.Entry_ID 19147 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name APC/C_CDH1-EMI1 _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 ; GSEVAKTLKKNESLKACIRC NSPAKYDCYLQRATCKREGC GFDYCTKCLCNYHTTKDCSD GKLLKASCKIGPLPGTKKSK KNLRRL ; _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 86 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'other bound and free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 9605.396 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2M6N . "3d Solution Structure Of Emi1 (early Mitotic Inhibitor 1)" . . . . . 100.00 86 100.00 100.00 1.62e-52 . . . . 19147 1 2 no PDB 4UI9 . "Atomic Structure Of The Human Anaphase-promoting Complex" . . . . . 98.84 447 100.00 100.00 2.47e-50 . . . . 19147 1 3 no DBJ BAG37064 . "unnamed protein product [Homo sapiens]" . . . . . 98.84 447 100.00 100.00 2.95e-50 . . . . 19147 1 4 no DBJ BAG51487 . "unnamed protein product [Homo sapiens]" . . . . . 98.84 401 100.00 100.00 6.09e-51 . . . . 19147 1 5 no GB AAF04469 . "F-box protein Fbx5 [Homo sapiens]" . . . . . 98.84 447 100.00 100.00 2.45e-50 . . . . 19147 1 6 no GB AAH18905 . "F-box protein 5 [Homo sapiens]" . . . . . 98.84 447 100.00 100.00 2.63e-50 . . . . 19147 1 7 no GB AAL86610 . "early mitotic inhibitor [Homo sapiens]" . . . . . 98.84 447 100.00 100.00 2.45e-50 . . . . 19147 1 8 no GB ABM82848 . "F-box protein 5 [synthetic construct]" . . . . . 98.84 447 100.00 100.00 2.63e-50 . . . . 19147 1 9 no GB ABM86032 . "F-box protein 5 [synthetic construct]" . . . . . 98.84 447 100.00 100.00 2.63e-50 . . . . 19147 1 10 no REF NP_001135994 . "F-box only protein 5 isoform b [Homo sapiens]" . . . . . 98.84 401 100.00 100.00 5.72e-51 . . . . 19147 1 11 no REF NP_036309 . "F-box only protein 5 isoform a [Homo sapiens]" . . . . . 98.84 447 100.00 100.00 2.45e-50 . . . . 19147 1 12 no REF XP_001096104 . "PREDICTED: f-box only protein 5 isoform 3 [Macaca mulatta]" . . . . . 98.84 448 98.82 100.00 6.76e-50 . . . . 19147 1 13 no REF XP_001141083 . "PREDICTED: F-box only protein 5 isoform X2 [Pan troglodytes]" . . . . . 98.84 401 100.00 100.00 5.72e-51 . . . . 19147 1 14 no REF XP_002747165 . "PREDICTED: F-box only protein 5 isoform X1 [Callithrix jacchus]" . . . . . 98.84 444 97.65 98.82 2.08e-49 . . . . 19147 1 15 no SP Q9UKT4 . "RecName: Full=F-box only protein 5; AltName: Full=Early mitotic inhibitor 1" . . . . . 98.84 447 100.00 100.00 2.45e-50 . . . . 19147 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 1 GLY . 19147 1 2 2 SER . 19147 1 3 3 GLU . 19147 1 4 4 VAL . 19147 1 5 5 ALA . 19147 1 6 6 LYS . 19147 1 7 7 THR . 19147 1 8 8 LEU . 19147 1 9 9 LYS . 19147 1 10 10 LYS . 19147 1 11 11 ASN . 19147 1 12 12 GLU . 19147 1 13 13 SER . 19147 1 14 14 LEU . 19147 1 15 15 LYS . 19147 1 16 16 ALA . 19147 1 17 17 CYS . 19147 1 18 18 ILE . 19147 1 19 19 ARG . 19147 1 20 20 CYS . 19147 1 21 21 ASN . 19147 1 22 22 SER . 19147 1 23 23 PRO . 19147 1 24 24 ALA . 19147 1 25 25 LYS . 19147 1 26 26 TYR . 19147 1 27 27 ASP . 19147 1 28 28 CYS . 19147 1 29 29 TYR . 19147 1 30 30 LEU . 19147 1 31 31 GLN . 19147 1 32 32 ARG . 19147 1 33 33 ALA . 19147 1 34 34 THR . 19147 1 35 35 CYS . 19147 1 36 36 LYS . 19147 1 37 37 ARG . 19147 1 38 38 GLU . 19147 1 39 39 GLY . 19147 1 40 40 CYS . 19147 1 41 41 GLY . 19147 1 42 42 PHE . 19147 1 43 43 ASP . 19147 1 44 44 TYR . 19147 1 45 45 CYS . 19147 1 46 46 THR . 19147 1 47 47 LYS . 19147 1 48 48 CYS . 19147 1 49 49 LEU . 19147 1 50 50 CYS . 19147 1 51 51 ASN . 19147 1 52 52 TYR . 19147 1 53 53 HIS . 19147 1 54 54 THR . 19147 1 55 55 THR . 19147 1 56 56 LYS . 19147 1 57 57 ASP . 19147 1 58 58 CYS . 19147 1 59 59 SER . 19147 1 60 60 ASP . 19147 1 61 61 GLY . 19147 1 62 62 LYS . 19147 1 63 63 LEU . 19147 1 64 64 LEU . 19147 1 65 65 LYS . 19147 1 66 66 ALA . 19147 1 67 67 SER . 19147 1 68 68 CYS . 19147 1 69 69 LYS . 19147 1 70 70 ILE . 19147 1 71 71 GLY . 19147 1 72 72 PRO . 19147 1 73 73 LEU . 19147 1 74 74 PRO . 19147 1 75 75 GLY . 19147 1 76 76 THR . 19147 1 77 77 LYS . 19147 1 78 78 LYS . 19147 1 79 79 SER . 19147 1 80 80 LYS . 19147 1 81 81 LYS . 19147 1 82 82 ASN . 19147 1 83 83 LEU . 19147 1 84 84 ARG . 19147 1 85 85 ARG . 19147 1 86 86 LEU . 19147 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 19147 1 . SER 2 2 19147 1 . GLU 3 3 19147 1 . VAL 4 4 19147 1 . ALA 5 5 19147 1 . LYS 6 6 19147 1 . THR 7 7 19147 1 . LEU 8 8 19147 1 . LYS 9 9 19147 1 . LYS 10 10 19147 1 . ASN 11 11 19147 1 . GLU 12 12 19147 1 . SER 13 13 19147 1 . LEU 14 14 19147 1 . LYS 15 15 19147 1 . ALA 16 16 19147 1 . CYS 17 17 19147 1 . ILE 18 18 19147 1 . ARG 19 19 19147 1 . CYS 20 20 19147 1 . ASN 21 21 19147 1 . SER 22 22 19147 1 . PRO 23 23 19147 1 . ALA 24 24 19147 1 . LYS 25 25 19147 1 . TYR 26 26 19147 1 . ASP 27 27 19147 1 . CYS 28 28 19147 1 . TYR 29 29 19147 1 . LEU 30 30 19147 1 . GLN 31 31 19147 1 . ARG 32 32 19147 1 . ALA 33 33 19147 1 . THR 34 34 19147 1 . CYS 35 35 19147 1 . LYS 36 36 19147 1 . ARG 37 37 19147 1 . GLU 38 38 19147 1 . GLY 39 39 19147 1 . CYS 40 40 19147 1 . GLY 41 41 19147 1 . PHE 42 42 19147 1 . ASP 43 43 19147 1 . TYR 44 44 19147 1 . CYS 45 45 19147 1 . THR 46 46 19147 1 . LYS 47 47 19147 1 . CYS 48 48 19147 1 . LEU 49 49 19147 1 . CYS 50 50 19147 1 . ASN 51 51 19147 1 . TYR 52 52 19147 1 . HIS 53 53 19147 1 . THR 54 54 19147 1 . THR 55 55 19147 1 . LYS 56 56 19147 1 . ASP 57 57 19147 1 . CYS 58 58 19147 1 . SER 59 59 19147 1 . ASP 60 60 19147 1 . GLY 61 61 19147 1 . LYS 62 62 19147 1 . LEU 63 63 19147 1 . LEU 64 64 19147 1 . LYS 65 65 19147 1 . ALA 66 66 19147 1 . SER 67 67 19147 1 . CYS 68 68 19147 1 . LYS 69 69 19147 1 . ILE 70 70 19147 1 . GLY 71 71 19147 1 . PRO 72 72 19147 1 . LEU 73 73 19147 1 . PRO 74 74 19147 1 . GLY 75 75 19147 1 . THR 76 76 19147 1 . LYS 77 77 19147 1 . LYS 78 78 19147 1 . SER 79 79 19147 1 . LYS 80 80 19147 1 . LYS 81 81 19147 1 . ASN 82 82 19147 1 . LEU 83 83 19147 1 . ARG 84 84 19147 1 . ARG 85 85 19147 1 . LEU 86 86 19147 1 stop_ save_ save_entity_ZN _Entity.Sf_category entity _Entity.Sf_framecode entity_ZN _Entity.Entry_ID 19147 _Entity.ID 2 _Entity.BMRB_code ZN _Entity.Name 'ZINC ION' _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID ZN _Entity.Nonpolymer_comp_label $chem_comp_ZN _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 65.409 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'ZINC ION' BMRB 19147 2 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID 'ZINC ION' BMRB 19147 2 ZN 'Three letter code' 19147 2 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 1 ZN $chem_comp_ZN 19147 2 stop_ loop_ _Entity_atom_list.ID _Entity_atom_list.Comp_index_ID _Entity_atom_list.Comp_ID _Entity_atom_list.Atom_ID _Entity_atom_list.Entry_ID _Entity_atom_list.Entity_ID 1 1 ZN ZN 19147 2 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 19147 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $APC-C_CDH1-EMI1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 19147 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 19147 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $APC-C_CDH1-EMI1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pGEX4T1 . . . 19147 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_ZN _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_ZN _Chem_comp.Entry_ID 19147 _Chem_comp.ID ZN _Chem_comp.Provenance PDB _Chem_comp.Name 'ZINC ION' _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code ZN _Chem_comp.PDB_code ZN _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2012-11-20 _Chem_comp.Modified_date 2012-11-20 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code ZN _Chem_comp.Number_atoms_all 1 _Chem_comp.Number_atoms_nh 1 _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/Zn/q+2 _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 2 _Chem_comp.Paramagnetic no _Chem_comp.Aromatic no _Chem_comp.Formula Zn _Chem_comp.Formula_weight 65.409 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID InChI=1S/Zn/q+2 InChI InChI 1.03 19147 ZN PTFCDOFLOPIGGS-UHFFFAOYSA-N InChIKey InChI 1.03 19147 ZN [Zn++] SMILES CACTVS 3.341 19147 ZN [Zn++] SMILES_CANONICAL CACTVS 3.341 19147 ZN [Zn+2] SMILES ACDLabs 10.04 19147 ZN [Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 19147 ZN [Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 19147 ZN stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID zinc 'SYSTEMATIC NAME' ACDLabs 10.04 19147 ZN 'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 19147 ZN stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID ZN ZN ZN ZN . ZN . . N 2 . . . 0 no no . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 19147 ZN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 19147 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 APC/C_CDH1-EMI1 '[U-100% 13C; U-100% 15N]' . . 1 $APC-C_CDH1-EMI1 . . 0.8 . . mM . . . . 19147 1 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 19147 1 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 19147 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 19147 _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' 50 . mM 19147 1 pH 7.0 . pH 19147 1 pressure 1 . atm 19147 1 temperature 298 . K 19147 1 stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 19147 _Software.ID 1 _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' . . 19147 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 19147 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 19147 _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 19147 _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 19147 _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 . . . 19147 1 2 spectrometer_2 Bruker Avance . 600 . . . 19147 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 19147 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19147 1 2 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19147 1 3 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19147 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19147 1 5 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19147 1 6 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19147 1 7 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19147 1 8 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19147 1 9 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19147 1 10 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19147 1 11 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19147 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 19147 _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 na indirect 0.251449530 . . . . . . . . . 19147 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 19147 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 19147 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 19147 _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' . . . 19147 1 3 '2D 1H-13C HSQC' . . . 19147 1 4 '3D HNCACB' . . . 19147 1 7 '3D HCCH-TOCSY' . . . 19147 1 8 '3D H(CCO)NH' . . . 19147 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 SER HA H 1 4.341 0.020 . 1 . . . . 2 SER HA . 19147 1 2 . 1 1 2 2 SER HB2 H 1 3.788 0.020 . 2 . . . . 2 SER QB . 19147 1 3 . 1 1 2 2 SER HB3 H 1 3.788 0.020 . 2 . . . . 2 SER QB . 19147 1 4 . 1 1 2 2 SER CA C 13 58.096 0.300 . 1 . . . . 2 SER CA . 19147 1 5 . 1 1 2 2 SER CB C 13 63.354 0.300 . 1 . . . . 2 SER CB . 19147 1 6 . 1 1 3 3 GLU H H 1 8.675 0.020 . 1 . . . . 3 GLU H . 19147 1 7 . 1 1 3 3 GLU HA H 1 4.246 0.020 . 1 . . . . 3 GLU HA . 19147 1 8 . 1 1 3 3 GLU HB2 H 1 1.958 0.020 . 2 . . . . 3 GLU HB2 . 19147 1 9 . 1 1 3 3 GLU HB3 H 1 1.854 0.020 . 2 . . . . 3 GLU HB3 . 19147 1 10 . 1 1 3 3 GLU HG2 H 1 2.110 0.020 . 2 . . . . 3 GLU QG . 19147 1 11 . 1 1 3 3 GLU HG3 H 1 2.110 0.020 . 2 . . . . 3 GLU QG . 19147 1 12 . 1 1 3 3 GLU C C 13 176.655 0.300 . 1 . . . . 3 GLU C . 19147 1 13 . 1 1 3 3 GLU CA C 13 56.160 0.300 . 1 . . . . 3 GLU CA . 19147 1 14 . 1 1 3 3 GLU CB C 13 29.450 0.300 . 1 . . . . 3 GLU CB . 19147 1 15 . 1 1 3 3 GLU CG C 13 36.237 0.300 . 1 . . . . 3 GLU CG . 19147 1 16 . 1 1 3 3 GLU N N 15 123.284 0.300 . 1 . . . . 3 GLU N . 19147 1 17 . 1 1 4 4 VAL H H 1 8.100 0.020 . 1 . . . . 4 VAL H . 19147 1 18 . 1 1 4 4 VAL HA H 1 3.963 0.020 . 1 . . . . 4 VAL HA . 19147 1 19 . 1 1 4 4 VAL HB H 1 1.971 0.020 . 1 . . . . 4 VAL HB . 19147 1 20 . 1 1 4 4 VAL HG11 H 1 0.862 0.020 . 2 . . . . 4 VAL QG1 . 19147 1 21 . 1 1 4 4 VAL HG12 H 1 0.862 0.020 . 2 . . . . 4 VAL QG1 . 19147 1 22 . 1 1 4 4 VAL HG13 H 1 0.862 0.020 . 2 . . . . 4 VAL QG1 . 19147 1 23 . 1 1 4 4 VAL HG21 H 1 0.855 0.020 . 2 . . . . 4 VAL QG2 . 19147 1 24 . 1 1 4 4 VAL HG22 H 1 0.855 0.020 . 2 . . . . 4 VAL QG2 . 19147 1 25 . 1 1 4 4 VAL HG23 H 1 0.855 0.020 . 2 . . . . 4 VAL QG2 . 19147 1 26 . 1 1 4 4 VAL C C 13 176.110 0.300 . 1 . . . . 4 VAL C . 19147 1 27 . 1 1 4 4 VAL CA C 13 62.034 0.300 . 1 . . . . 4 VAL CA . 19147 1 28 . 1 1 4 4 VAL CB C 13 32.213 0.300 . 1 . . . . 4 VAL CB . 19147 1 29 . 1 1 4 4 VAL CG1 C 13 20.212 0.300 . 1 . . . . 4 VAL CG1 . 19147 1 30 . 1 1 4 4 VAL CG2 C 13 20.678 0.300 . 1 . . . . 4 VAL CG2 . 19147 1 31 . 1 1 4 4 VAL N N 15 121.453 0.300 . 1 . . . . 4 VAL N . 19147 1 32 . 1 1 5 5 ALA H H 1 8.274 0.020 . 1 . . . . 5 ALA H . 19147 1 33 . 1 1 5 5 ALA HA H 1 4.202 0.020 . 1 . . . . 5 ALA HA . 19147 1 34 . 1 1 5 5 ALA HB1 H 1 1.299 0.020 . 1 . . . . 5 ALA QB . 19147 1 35 . 1 1 5 5 ALA HB2 H 1 1.299 0.020 . 1 . . . . 5 ALA QB . 19147 1 36 . 1 1 5 5 ALA HB3 H 1 1.299 0.020 . 1 . . . . 5 ALA QB . 19147 1 37 . 1 1 5 5 ALA C C 13 177.887 0.300 . 1 . . . . 5 ALA C . 19147 1 38 . 1 1 5 5 ALA CA C 13 52.245 0.300 . 1 . . . . 5 ALA CA . 19147 1 39 . 1 1 5 5 ALA CB C 13 18.705 0.300 . 1 . . . . 5 ALA CB . 19147 1 40 . 1 1 5 5 ALA N N 15 127.448 0.300 . 1 . . . . 5 ALA N . 19147 1 41 . 1 1 6 6 LYS H H 1 8.212 0.020 . 1 . . . . 6 LYS H . 19147 1 42 . 1 1 6 6 LYS HA H 1 4.230 0.020 . 1 . . . . 6 LYS HA . 19147 1 43 . 1 1 6 6 LYS HB2 H 1 1.746 0.020 . 2 . . . . 6 LYS HB2 . 19147 1 44 . 1 1 6 6 LYS HB3 H 1 1.673 0.020 . 2 . . . . 6 LYS HB3 . 19147 1 45 . 1 1 6 6 LYS HG2 H 1 1.358 0.020 . 2 . . . . 6 LYS QG . 19147 1 46 . 1 1 6 6 LYS HG3 H 1 1.358 0.020 . 2 . . . . 6 LYS QG . 19147 1 47 . 1 1 6 6 LYS HD2 H 1 1.714 0.020 . 2 . . . . 6 LYS QD . 19147 1 48 . 1 1 6 6 LYS HD3 H 1 1.714 0.020 . 2 . . . . 6 LYS QD . 19147 1 49 . 1 1 6 6 LYS HE2 H 1 2.903 0.020 . 2 . . . . 6 LYS QE . 19147 1 50 . 1 1 6 6 LYS HE3 H 1 2.903 0.020 . 2 . . . . 6 LYS QE . 19147 1 51 . 1 1 6 6 LYS C C 13 175.280 0.300 . 1 . . . . 6 LYS C . 19147 1 52 . 1 1 6 6 LYS CA C 13 56.123 0.300 . 1 . . . . 6 LYS CA . 19147 1 53 . 1 1 6 6 LYS CB C 13 32.499 0.300 . 1 . . . . 6 LYS CB . 19147 1 54 . 1 1 6 6 LYS CG C 13 24.370 0.300 . 1 . . . . 6 LYS CG . 19147 1 55 . 1 1 6 6 LYS CD C 13 29.064 0.300 . 1 . . . . 6 LYS CD . 19147 1 56 . 1 1 6 6 LYS CE C 13 41.747 0.300 . 1 . . . . 6 LYS CE . 19147 1 57 . 1 1 6 6 LYS N N 15 120.601 0.300 . 1 . . . . 6 LYS N . 19147 1 58 . 1 1 7 7 THR H H 1 8.000 0.020 . 1 . . . . 7 THR H . 19147 1 59 . 1 1 7 7 THR HA H 1 4.232 0.020 . 1 . . . . 7 THR HA . 19147 1 60 . 1 1 7 7 THR HB H 1 4.129 0.020 . 1 . . . . 7 THR HB . 19147 1 61 . 1 1 7 7 THR HG21 H 1 1.111 0.020 . 1 . . . . 7 THR QG2 . 19147 1 62 . 1 1 7 7 THR HG22 H 1 1.111 0.020 . 1 . . . . 7 THR QG2 . 19147 1 63 . 1 1 7 7 THR HG23 H 1 1.111 0.020 . 1 . . . . 7 THR QG2 . 19147 1 64 . 1 1 7 7 THR C C 13 174.332 0.300 . 1 . . . . 7 THR C . 19147 1 65 . 1 1 7 7 THR CA C 13 61.555 0.300 . 1 . . . . 7 THR CA . 19147 1 66 . 1 1 7 7 THR CB C 13 69.505 0.300 . 1 . . . . 7 THR CB . 19147 1 67 . 1 1 7 7 THR CG2 C 13 21.212 0.300 . 1 . . . . 7 THR CG2 . 19147 1 68 . 1 1 7 7 THR N N 15 115.127 0.300 . 1 . . . . 7 THR N . 19147 1 69 . 1 1 8 8 LEU H H 1 8.153 0.020 . 1 . . . . 8 LEU H . 19147 1 70 . 1 1 8 8 LEU HA H 1 4.271 0.020 . 1 . . . . 8 LEU HA . 19147 1 71 . 1 1 8 8 LEU HB2 H 1 1.553 0.020 . 2 . . . . 8 LEU HB2 . 19147 1 72 . 1 1 8 8 LEU HB3 H 1 1.499 0.020 . 2 . . . . 8 LEU HB3 . 19147 1 73 . 1 1 8 8 LEU HG H 1 1.504 0.020 . 1 . . . . 8 LEU HG . 19147 1 74 . 1 1 8 8 LEU HD11 H 1 0.830 0.020 . 2 . . . . 8 LEU QD1 . 19147 1 75 . 1 1 8 8 LEU HD12 H 1 0.830 0.020 . 2 . . . . 8 LEU QD1 . 19147 1 76 . 1 1 8 8 LEU HD13 H 1 0.830 0.020 . 2 . . . . 8 LEU QD1 . 19147 1 77 . 1 1 8 8 LEU HD21 H 1 0.780 0.020 . 2 . . . . 8 LEU QD2 . 19147 1 78 . 1 1 8 8 LEU HD22 H 1 0.780 0.020 . 2 . . . . 8 LEU QD2 . 19147 1 79 . 1 1 8 8 LEU HD23 H 1 0.780 0.020 . 2 . . . . 8 LEU QD2 . 19147 1 80 . 1 1 8 8 LEU C C 13 174.474 0.300 . 1 . . . . 8 LEU C . 19147 1 81 . 1 1 8 8 LEU CA C 13 54.689 0.300 . 1 . . . . 8 LEU CA . 19147 1 82 . 1 1 8 8 LEU CB C 13 41.856 0.300 . 1 . . . . 8 LEU CB . 19147 1 83 . 1 1 8 8 LEU CG C 13 26.469 0.300 . 1 . . . . 8 LEU CG . 19147 1 84 . 1 1 8 8 LEU CD1 C 13 24.484 0.300 . 1 . . . . 8 LEU CD1 . 19147 1 85 . 1 1 8 8 LEU CD2 C 13 23.098 0.300 . 1 . . . . 8 LEU CD2 . 19147 1 86 . 1 1 8 8 LEU N N 15 124.868 0.300 . 1 . . . . 8 LEU N . 19147 1 87 . 1 1 9 9 LYS H H 1 8.099 0.020 . 1 . . . . 9 LYS H . 19147 1 88 . 1 1 9 9 LYS HA H 1 4.213 0.020 . 1 . . . . 9 LYS HA . 19147 1 89 . 1 1 9 9 LYS HB2 H 1 1.627 0.020 . 2 . . . . 9 LYS QB . 19147 1 90 . 1 1 9 9 LYS HB3 H 1 1.627 0.020 . 2 . . . . 9 LYS QB . 19147 1 91 . 1 1 9 9 LYS HG2 H 1 1.318 0.020 . 2 . . . . 9 LYS QG . 19147 1 92 . 1 1 9 9 LYS HG3 H 1 1.318 0.020 . 2 . . . . 9 LYS QG . 19147 1 93 . 1 1 9 9 LYS HD2 H 1 1.727 0.020 . 2 . . . . 9 LYS QD . 19147 1 94 . 1 1 9 9 LYS HD3 H 1 1.727 0.020 . 2 . . . . 9 LYS QD . 19147 1 95 . 1 1 9 9 LYS HE2 H 1 2.921 0.020 . 2 . . . . 9 LYS QE . 19147 1 96 . 1 1 9 9 LYS HE3 H 1 2.921 0.020 . 2 . . . . 9 LYS QE . 19147 1 97 . 1 1 9 9 LYS C C 13 176.252 0.300 . 1 . . . . 9 LYS C . 19147 1 98 . 1 1 9 9 LYS CA C 13 55.405 0.300 . 1 . . . . 9 LYS CA . 19147 1 99 . 1 1 9 9 LYS CB C 13 32.467 0.300 . 1 . . . . 9 LYS CB . 19147 1 100 . 1 1 9 9 LYS CG C 13 24.277 0.300 . 1 . . . . 9 LYS CG . 19147 1 101 . 1 1 9 9 LYS CD C 13 28.642 0.300 . 1 . . . . 9 LYS CD . 19147 1 102 . 1 1 9 9 LYS CE C 13 41.652 0.300 . 1 . . . . 9 LYS CE . 19147 1 103 . 1 1 9 9 LYS N N 15 121.871 0.300 . 1 . . . . 9 LYS N . 19147 1 104 . 1 1 10 10 LYS H H 1 8.079 0.020 . 1 . . . . 10 LYS H . 19147 1 105 . 1 1 10 10 LYS HA H 1 4.216 0.020 . 1 . . . . 10 LYS HA . 19147 1 106 . 1 1 10 10 LYS HB2 H 1 1.602 0.020 . 2 . . . . 10 LYS QB . 19147 1 107 . 1 1 10 10 LYS HB3 H 1 1.602 0.020 . 2 . . . . 10 LYS QB . 19147 1 108 . 1 1 10 10 LYS HG2 H 1 1.323 0.020 . 2 . . . . 10 LYS QG . 19147 1 109 . 1 1 10 10 LYS HG3 H 1 1.323 0.020 . 2 . . . . 10 LYS QG . 19147 1 110 . 1 1 10 10 LYS HD2 H 1 1.713 0.020 . 2 . . . . 10 LYS QD . 19147 1 111 . 1 1 10 10 LYS HD3 H 1 1.713 0.020 . 2 . . . . 10 LYS QD . 19147 1 112 . 1 1 10 10 LYS HE2 H 1 2.915 0.020 . 2 . . . . 10 LYS QE . 19147 1 113 . 1 1 10 10 LYS HE3 H 1 2.915 0.020 . 2 . . . . 10 LYS QE . 19147 1 114 . 1 1 10 10 LYS C C 13 176.394 0.300 . 1 . . . . 10 LYS C . 19147 1 115 . 1 1 10 10 LYS CA C 13 56.518 0.300 . 1 . . . . 10 LYS CA . 19147 1 116 . 1 1 10 10 LYS CB C 13 32.825 0.300 . 1 . . . . 10 LYS CB . 19147 1 117 . 1 1 10 10 LYS CG C 13 24.229 0.300 . 1 . . . . 10 LYS CG . 19147 1 118 . 1 1 10 10 LYS CD C 13 28.595 0.300 . 1 . . . . 10 LYS CD . 19147 1 119 . 1 1 10 10 LYS CE C 13 41.666 0.300 . 1 . . . . 10 LYS CE . 19147 1 120 . 1 1 10 10 LYS N N 15 122.056 0.300 . 1 . . . . 10 LYS N . 19147 1 121 . 1 1 11 11 ASN H H 1 8.455 0.020 . 1 . . . . 11 ASN H . 19147 1 122 . 1 1 11 11 ASN HA H 1 4.597 0.020 . 1 . . . . 11 ASN HA . 19147 1 123 . 1 1 11 11 ASN HB2 H 1 2.750 0.020 . 2 . . . . 11 ASN HB2 . 19147 1 124 . 1 1 11 11 ASN HB3 H 1 2.660 0.020 . 2 . . . . 11 ASN HB3 . 19147 1 125 . 1 1 11 11 ASN HD21 H 1 7.553 0.020 . 2 . . . . 11 ASN HD21 . 19147 1 126 . 1 1 11 11 ASN HD22 H 1 6.860 0.020 . 2 . . . . 11 ASN HD22 . 19147 1 127 . 1 1 11 11 ASN C C 13 175.209 0.300 . 1 . . . . 11 ASN C . 19147 1 128 . 1 1 11 11 ASN CA C 13 52.699 0.300 . 1 . . . . 11 ASN CA . 19147 1 129 . 1 1 11 11 ASN CB C 13 38.192 0.300 . 1 . . . . 11 ASN CB . 19147 1 130 . 1 1 11 11 ASN N N 15 119.458 0.300 . 1 . . . . 11 ASN N . 19147 1 131 . 1 1 11 11 ASN ND2 N 15 112.766 0.300 . 1 . . . . 11 ASN ND2 . 19147 1 132 . 1 1 12 12 GLU H H 1 8.298 0.020 . 1 . . . . 12 GLU H . 19147 1 133 . 1 1 12 12 GLU HA H 1 4.373 0.020 . 1 . . . . 12 GLU HA . 19147 1 134 . 1 1 12 12 GLU HB2 H 1 1.980 0.020 . 2 . . . . 12 GLU HB2 . 19147 1 135 . 1 1 12 12 GLU HB3 H 1 1.898 0.020 . 2 . . . . 12 GLU HB3 . 19147 1 136 . 1 1 12 12 GLU HG2 H 1 2.181 0.020 . 2 . . . . 12 GLU QG . 19147 1 137 . 1 1 12 12 GLU HG3 H 1 2.181 0.020 . 2 . . . . 12 GLU QG . 19147 1 138 . 1 1 12 12 GLU C C 13 176.252 0.300 . 1 . . . . 12 GLU C . 19147 1 139 . 1 1 12 12 GLU CA C 13 56.171 0.300 . 1 . . . . 12 GLU CA . 19147 1 140 . 1 1 12 12 GLU CB C 13 30.369 0.300 . 1 . . . . 12 GLU CB . 19147 1 141 . 1 1 12 12 GLU CG C 13 36.011 0.300 . 1 . . . . 12 GLU CG . 19147 1 142 . 1 1 12 12 GLU N N 15 121.687 0.300 . 1 . . . . 12 GLU N . 19147 1 143 . 1 1 13 13 SER H H 1 8.473 0.020 . 1 . . . A 13 SER H . 19147 1 144 . 1 1 13 13 SER HA H 1 4.532 0.020 . 1 . . . A 13 SER HA . 19147 1 145 . 1 1 13 13 SER HB2 H 1 3.903 0.020 . 2 . . . A 13 SER HB2 . 19147 1 146 . 1 1 13 13 SER HB3 H 1 3.903 0.020 . 2 . . . A 13 SER HB3 . 19147 1 147 . 1 1 13 13 SER C C 13 173.739 0.300 . 1 . . . A 13 SER C . 19147 1 148 . 1 1 13 13 SER CA C 13 57.880 0.300 . 1 . . . A 13 SER CA . 19147 1 149 . 1 1 13 13 SER CB C 13 63.498 0.300 . 1 . . . A 13 SER CB . 19147 1 150 . 1 1 13 13 SER N N 15 116.813 0.300 . 1 . . . A 13 SER N . 19147 1 151 . 1 1 14 14 LEU H H 1 8.089 0.020 . 1 . . . A 14 LEU H . 19147 1 152 . 1 1 14 14 LEU HA H 1 4.914 0.020 . 1 . . . A 14 LEU HA . 19147 1 153 . 1 1 14 14 LEU HB2 H 1 1.523 0.020 . 2 . . . A 14 LEU HB2 . 19147 1 154 . 1 1 14 14 LEU HB3 H 1 1.253 0.020 . 2 . . . A 14 LEU HB3 . 19147 1 155 . 1 1 14 14 LEU HG H 1 1.468 0.020 . 1 . . . A 14 LEU HG . 19147 1 156 . 1 1 14 14 LEU HD11 H 1 0.701 0.020 . 2 . . . A 14 LEU HD11 . 19147 1 157 . 1 1 14 14 LEU HD12 H 1 0.701 0.020 . 2 . . . A 14 LEU HD12 . 19147 1 158 . 1 1 14 14 LEU HD13 H 1 0.701 0.020 . 2 . . . A 14 LEU HD13 . 19147 1 159 . 1 1 14 14 LEU HD21 H 1 0.701 0.020 . 2 . . . A 14 LEU HD21 . 19147 1 160 . 1 1 14 14 LEU HD22 H 1 0.701 0.020 . 2 . . . A 14 LEU HD22 . 19147 1 161 . 1 1 14 14 LEU HD23 H 1 0.701 0.020 . 2 . . . A 14 LEU HD23 . 19147 1 162 . 1 1 14 14 LEU C C 13 176.963 0.300 . 1 . . . A 14 LEU C . 19147 1 163 . 1 1 14 14 LEU CA C 13 54.055 0.300 . 1 . . . A 14 LEU CA . 19147 1 164 . 1 1 14 14 LEU CB C 13 44.013 0.300 . 1 . . . A 14 LEU CB . 19147 1 165 . 1 1 14 14 LEU CG C 13 26.498 0.300 . 1 . . . A 14 LEU CG . 19147 1 166 . 1 1 14 14 LEU CD1 C 13 23.068 0.300 . 1 . . . A 14 LEU CD1 . 19147 1 167 . 1 1 14 14 LEU N N 15 123.914 0.300 . 1 . . . A 14 LEU N . 19147 1 168 . 1 1 15 15 LYS H H 1 8.548 0.020 . 1 . . . A 15 LYS H . 19147 1 169 . 1 1 15 15 LYS HA H 1 4.323 0.020 . 1 . . . A 15 LYS HA . 19147 1 170 . 1 1 15 15 LYS HB2 H 1 1.646 0.020 . 2 . . . A 15 LYS HB2 . 19147 1 171 . 1 1 15 15 LYS HB3 H 1 1.193 0.020 . 2 . . . A 15 LYS HB3 . 19147 1 172 . 1 1 15 15 LYS HG2 H 1 0.973 0.020 . 2 . . . A 15 LYS HG2 . 19147 1 173 . 1 1 15 15 LYS HG3 H 1 0.973 0.020 . 2 . . . A 15 LYS HG3 . 19147 1 174 . 1 1 15 15 LYS HD2 H 1 1.317 0.020 . 2 . . . A 15 LYS HD2 . 19147 1 175 . 1 1 15 15 LYS HD3 H 1 1.010 0.020 . 2 . . . A 15 LYS HD3 . 19147 1 176 . 1 1 15 15 LYS HE2 H 1 2.278 0.020 . 2 . . . A 15 LYS HE2 . 19147 1 177 . 1 1 15 15 LYS HE3 H 1 1.932 0.020 . 2 . . . A 15 LYS HE3 . 19147 1 178 . 1 1 15 15 LYS HZ1 H 1 6.737 0.020 . 1 . . . A 15 LYS HZ1 . 19147 1 179 . 1 1 15 15 LYS HZ2 H 1 6.737 0.020 . 1 . . . A 15 LYS HZ2 . 19147 1 180 . 1 1 15 15 LYS HZ3 H 1 6.737 0.020 . 1 . . . A 15 LYS HZ3 . 19147 1 181 . 1 1 15 15 LYS C C 13 174.711 0.300 . 1 . . . A 15 LYS C . 19147 1 182 . 1 1 15 15 LYS CA C 13 53.956 0.300 . 1 . . . A 15 LYS CA . 19147 1 183 . 1 1 15 15 LYS CB C 13 35.171 0.300 . 1 . . . A 15 LYS CB . 19147 1 184 . 1 1 15 15 LYS CG C 13 24.820 0.300 . 1 . . . A 15 LYS CG . 19147 1 185 . 1 1 15 15 LYS CD C 13 28.278 0.300 . 1 . . . A 15 LYS CD . 19147 1 186 . 1 1 15 15 LYS CE C 13 40.995 0.300 . 1 . . . A 15 LYS CE . 19147 1 187 . 1 1 15 15 LYS N N 15 121.013 0.300 . 1 . . . A 15 LYS N . 19147 1 188 . 1 1 16 16 ALA H H 1 8.119 0.020 . 1 . . . A 16 ALA H . 19147 1 189 . 1 1 16 16 ALA HA H 1 4.424 0.020 . 1 . . . A 16 ALA HA . 19147 1 190 . 1 1 16 16 ALA HB1 H 1 1.070 0.020 . 1 . . . A 16 ALA HB1 . 19147 1 191 . 1 1 16 16 ALA HB2 H 1 1.070 0.020 . 1 . . . A 16 ALA HB2 . 19147 1 192 . 1 1 16 16 ALA HB3 H 1 1.070 0.020 . 1 . . . A 16 ALA HB3 . 19147 1 193 . 1 1 16 16 ALA C C 13 176.513 0.300 . 1 . . . A 16 ALA C . 19147 1 194 . 1 1 16 16 ALA CA C 13 50.701 0.300 . 1 . . . A 16 ALA CA . 19147 1 195 . 1 1 16 16 ALA CB C 13 19.404 0.300 . 1 . . . A 16 ALA CB . 19147 1 196 . 1 1 16 16 ALA N N 15 124.835 0.300 . 1 . . . A 16 ALA N . 19147 1 197 . 1 1 17 17 CYS H H 1 9.517 0.020 . 1 . . . A 17 CYS H . 19147 1 198 . 1 1 17 17 CYS HA H 1 4.530 0.020 . 1 . . . A 17 CYS HA . 19147 1 199 . 1 1 17 17 CYS HB2 H 1 2.866 0.020 . 2 . . . A 17 CYS HB2 . 19147 1 200 . 1 1 17 17 CYS HB3 H 1 3.183 0.020 . 2 . . . A 17 CYS HB3 . 19147 1 201 . 1 1 17 17 CYS C C 13 179.428 0.300 . 1 . . . A 17 CYS C . 19147 1 202 . 1 1 17 17 CYS CA C 13 59.687 0.300 . 1 . . . A 17 CYS CA . 19147 1 203 . 1 1 17 17 CYS CB C 13 31.087 0.300 . 1 . . . A 17 CYS CB . 19147 1 204 . 1 1 17 17 CYS N N 15 125.963 0.300 . 1 . . . A 17 CYS N . 19147 1 205 . 1 1 18 18 ILE H H 1 7.244 0.020 . 1 . . . A 18 ILE H . 19147 1 206 . 1 1 18 18 ILE HA H 1 4.039 0.020 . 1 . . . A 18 ILE HA . 19147 1 207 . 1 1 18 18 ILE HB H 1 1.821 0.020 . 1 . . . A 18 ILE HB . 19147 1 208 . 1 1 18 18 ILE HG12 H 1 0.673 0.020 . 2 . . . A 18 ILE HG12 . 19147 1 209 . 1 1 18 18 ILE HG13 H 1 1.098 0.020 . 2 . . . A 18 ILE HG13 . 19147 1 210 . 1 1 18 18 ILE HG21 H 1 0.768 0.020 . 1 . . . A 18 ILE HG21 . 19147 1 211 . 1 1 18 18 ILE HG22 H 1 0.768 0.020 . 1 . . . A 18 ILE HG22 . 19147 1 212 . 1 1 18 18 ILE HG23 H 1 0.768 0.020 . 1 . . . A 18 ILE HG23 . 19147 1 213 . 1 1 18 18 ILE HD11 H 1 0.726 0.020 . 1 . . . A 18 ILE HD11 . 19147 1 214 . 1 1 18 18 ILE HD12 H 1 0.726 0.020 . 1 . . . A 18 ILE HD12 . 19147 1 215 . 1 1 18 18 ILE HD13 H 1 0.726 0.020 . 1 . . . A 18 ILE HD13 . 19147 1 216 . 1 1 18 18 ILE C C 13 175.825 0.300 . 1 . . . A 18 ILE C . 19147 1 217 . 1 1 18 18 ILE CA C 13 62.353 0.300 . 1 . . . A 18 ILE CA . 19147 1 218 . 1 1 18 18 ILE CB C 13 37.671 0.300 . 1 . . . A 18 ILE CB . 19147 1 219 . 1 1 18 18 ILE CG1 C 13 26.118 0.300 . 1 . . . A 18 ILE CG1 . 19147 1 220 . 1 1 18 18 ILE CG2 C 13 17.899 0.300 . 1 . . . A 18 ILE CG2 . 19147 1 221 . 1 1 18 18 ILE CD1 C 13 14.686 0.300 . 1 . . . A 18 ILE CD1 . 19147 1 222 . 1 1 18 18 ILE N N 15 124.917 0.300 . 1 . . . A 18 ILE N . 19147 1 223 . 1 1 19 19 ARG H H 1 9.392 0.020 . 1 . . . A 19 ARG H . 19147 1 224 . 1 1 19 19 ARG HA H 1 4.235 0.020 . 1 . . . A 19 ARG HA . 19147 1 225 . 1 1 19 19 ARG HB2 H 1 1.478 0.020 . 2 . . . A 19 ARG HB2 . 19147 1 226 . 1 1 19 19 ARG HB3 H 1 1.576 0.020 . 2 . . . A 19 ARG HB3 . 19147 1 227 . 1 1 19 19 ARG HG2 H 1 1.139 0.020 . 2 . . . A 19 ARG HG2 . 19147 1 228 . 1 1 19 19 ARG HG3 H 1 1.088 0.020 . 2 . . . A 19 ARG HG3 . 19147 1 229 . 1 1 19 19 ARG HD2 H 1 2.673 0.020 . 2 . . . A 19 ARG HD2 . 19147 1 230 . 1 1 19 19 ARG HD3 H 1 2.290 0.020 . 2 . . . A 19 ARG HD3 . 19147 1 231 . 1 1 19 19 ARG HE H 1 7.085 0.020 . 1 . . . A 19 ARG HE . 19147 1 232 . 1 1 19 19 ARG C C 13 177.413 0.300 . 1 . . . A 19 ARG C . 19147 1 233 . 1 1 19 19 ARG CA C 13 57.820 0.300 . 1 . . . A 19 ARG CA . 19147 1 234 . 1 1 19 19 ARG CB C 13 31.496 0.300 . 1 . . . A 19 ARG CB . 19147 1 235 . 1 1 19 19 ARG CG C 13 27.093 0.300 . 1 . . . A 19 ARG CG . 19147 1 236 . 1 1 19 19 ARG CD C 13 42.856 0.300 . 1 . . . A 19 ARG CD . 19147 1 237 . 1 1 19 19 ARG N N 15 124.247 0.300 . 1 . . . A 19 ARG N . 19147 1 238 . 1 1 20 20 CYS H H 1 8.541 0.020 . 1 . . . A 20 CYS H . 19147 1 239 . 1 1 20 20 CYS HA H 1 4.933 0.020 . 1 . . . A 20 CYS HA . 19147 1 240 . 1 1 20 20 CYS HB2 H 1 3.122 0.020 . 2 . . . A 20 CYS HB2 . 19147 1 241 . 1 1 20 20 CYS HB3 H 1 2.558 0.020 . 2 . . . A 20 CYS HB3 . 19147 1 242 . 1 1 20 20 CYS C C 13 178.409 0.300 . 1 . . . A 20 CYS C . 19147 1 243 . 1 1 20 20 CYS CA C 13 58.663 0.300 . 1 . . . A 20 CYS CA . 19147 1 244 . 1 1 20 20 CYS CB C 13 32.067 0.300 . 1 . . . A 20 CYS CB . 19147 1 245 . 1 1 20 20 CYS N N 15 118.959 0.300 . 1 . . . A 20 CYS N . 19147 1 246 . 1 1 21 21 ASN H H 1 8.533 0.020 . 1 . . . A 21 ASN H . 19147 1 247 . 1 1 21 21 ASN HA H 1 4.422 0.020 . 1 . . . A 21 ASN HA . 19147 1 248 . 1 1 21 21 ASN HB2 H 1 3.065 0.020 . 2 . . . A 21 ASN HB2 . 19147 1 249 . 1 1 21 21 ASN HB3 H 1 2.792 0.020 . 2 . . . A 21 ASN HB3 . 19147 1 250 . 1 1 21 21 ASN HD21 H 1 6.684 0.020 . 2 . . . A 21 ASN HD21 . 19147 1 251 . 1 1 21 21 ASN HD22 H 1 7.413 0.020 . 2 . . . A 21 ASN HD22 . 19147 1 252 . 1 1 21 21 ASN C C 13 174.237 0.300 . 1 . . . A 21 ASN C . 19147 1 253 . 1 1 21 21 ASN CA C 13 55.172 0.300 . 1 . . . A 21 ASN CA . 19147 1 254 . 1 1 21 21 ASN CB C 13 38.545 0.300 . 1 . . . A 21 ASN CB . 19147 1 255 . 1 1 21 21 ASN N N 15 120.450 0.300 . 1 . . . A 21 ASN N . 19147 1 256 . 1 1 21 21 ASN ND2 N 15 112.110 0.300 . 1 . . . A 21 ASN ND2 . 19147 1 257 . 1 1 22 22 SER H H 1 8.742 0.020 . 1 . . . A 22 SER H . 19147 1 258 . 1 1 22 22 SER HA H 1 4.643 0.020 . 1 . . . A 22 SER HA . 19147 1 259 . 1 1 22 22 SER HB2 H 1 4.006 0.020 . 2 . . . A 22 SER HB2 . 19147 1 260 . 1 1 22 22 SER HB3 H 1 4.006 0.020 . 2 . . . A 22 SER HB3 . 19147 1 261 . 1 1 22 22 SER CA C 13 58.269 0.300 . 1 . . . A 22 SER CA . 19147 1 262 . 1 1 22 22 SER CB C 13 61.998 0.300 . 1 . . . A 22 SER CB . 19147 1 263 . 1 1 22 22 SER N N 15 119.717 0.300 . 1 . . . A 22 SER N . 19147 1 264 . 1 1 23 23 PRO HA H 1 4.375 0.020 . 1 . . . A 23 PRO HA . 19147 1 265 . 1 1 23 23 PRO HB2 H 1 1.742 0.020 . 2 . . . A 23 PRO HB2 . 19147 1 266 . 1 1 23 23 PRO HB3 H 1 2.198 0.020 . 2 . . . A 23 PRO HB3 . 19147 1 267 . 1 1 23 23 PRO HG2 H 1 1.921 0.020 . 2 . . . A 23 PRO HG2 . 19147 1 268 . 1 1 23 23 PRO HG3 H 1 2.051 0.020 . 2 . . . A 23 PRO HG3 . 19147 1 269 . 1 1 23 23 PRO HD2 H 1 3.791 0.020 . 2 . . . A 23 PRO HD2 . 19147 1 270 . 1 1 23 23 PRO HD3 H 1 3.605 0.020 . 2 . . . A 23 PRO HD3 . 19147 1 271 . 1 1 23 23 PRO CA C 13 64.211 0.300 . 1 . . . A 23 PRO CA . 19147 1 272 . 1 1 23 23 PRO CB C 13 31.883 0.300 . 1 . . . A 23 PRO CB . 19147 1 273 . 1 1 23 23 PRO CG C 13 27.740 0.300 . 1 . . . A 23 PRO CG . 19147 1 274 . 1 1 23 23 PRO CD C 13 50.001 0.300 . 1 . . . A 23 PRO CD . 19147 1 275 . 1 1 24 24 ALA H H 1 8.732 0.020 . 1 . . . A 24 ALA H . 19147 1 276 . 1 1 24 24 ALA HA H 1 4.756 0.020 . 1 . . . A 24 ALA HA . 19147 1 277 . 1 1 24 24 ALA HB1 H 1 0.958 0.020 . 1 . . . A 24 ALA HB1 . 19147 1 278 . 1 1 24 24 ALA HB2 H 1 0.958 0.020 . 1 . . . A 24 ALA HB2 . 19147 1 279 . 1 1 24 24 ALA HB3 H 1 0.958 0.020 . 1 . . . A 24 ALA HB3 . 19147 1 280 . 1 1 24 24 ALA C C 13 176.157 0.300 . 1 . . . A 24 ALA C . 19147 1 281 . 1 1 24 24 ALA CA C 13 49.817 0.300 . 1 . . . A 24 ALA CA . 19147 1 282 . 1 1 24 24 ALA CB C 13 19.920 0.300 . 1 . . . A 24 ALA CB . 19147 1 283 . 1 1 24 24 ALA N N 15 126.670 0.300 . 1 . . . A 24 ALA N . 19147 1 284 . 1 1 25 25 LYS H H 1 8.045 0.020 . 1 . . . A 25 LYS H . 19147 1 285 . 1 1 25 25 LYS HA H 1 4.260 0.020 . 1 . . . A 25 LYS HA . 19147 1 286 . 1 1 25 25 LYS HB2 H 1 1.609 0.020 . 2 . . . A 25 LYS HB2 . 19147 1 287 . 1 1 25 25 LYS HB3 H 1 1.609 0.020 . 2 . . . A 25 LYS HB3 . 19147 1 288 . 1 1 25 25 LYS HG2 H 1 1.179 0.020 . 2 . . . A 25 LYS HG2 . 19147 1 289 . 1 1 25 25 LYS HG3 H 1 1.179 0.020 . 2 . . . A 25 LYS HG3 . 19147 1 290 . 1 1 25 25 LYS HD2 H 1 1.375 0.020 . 2 . . . A 25 LYS HD2 . 19147 1 291 . 1 1 25 25 LYS HD3 H 1 1.375 0.020 . 2 . . . A 25 LYS HD3 . 19147 1 292 . 1 1 25 25 LYS HE2 H 1 2.843 0.020 . 2 . . . A 25 LYS HE2 . 19147 1 293 . 1 1 25 25 LYS HE3 H 1 2.843 0.020 . 2 . . . A 25 LYS HE3 . 19147 1 294 . 1 1 25 25 LYS HZ1 H 1 6.456 0.020 . 1 . . . A 25 LYS HZ1 . 19147 1 295 . 1 1 25 25 LYS HZ2 H 1 6.456 0.020 . 1 . . . A 25 LYS HZ2 . 19147 1 296 . 1 1 25 25 LYS HZ3 H 1 6.456 0.020 . 1 . . . A 25 LYS HZ3 . 19147 1 297 . 1 1 25 25 LYS C C 13 175.612 0.300 . 1 . . . A 25 LYS C . 19147 1 298 . 1 1 25 25 LYS CA C 13 56.269 0.300 . 1 . . . A 25 LYS CA . 19147 1 299 . 1 1 25 25 LYS CB C 13 32.912 0.300 . 1 . . . A 25 LYS CB . 19147 1 300 . 1 1 25 25 LYS CG C 13 24.416 0.300 . 1 . . . A 25 LYS CG . 19147 1 301 . 1 1 25 25 LYS CD C 13 28.598 0.300 . 1 . . . A 25 LYS CD . 19147 1 302 . 1 1 25 25 LYS CE C 13 41.548 0.300 . 1 . . . A 25 LYS CE . 19147 1 303 . 1 1 25 25 LYS N N 15 122.456 0.300 . 1 . . . A 25 LYS N . 19147 1 304 . 1 1 26 26 TYR H H 1 8.734 0.020 . 1 . . . A 26 TYR H . 19147 1 305 . 1 1 26 26 TYR HA H 1 5.275 0.020 . 1 . . . A 26 TYR HA . 19147 1 306 . 1 1 26 26 TYR HB2 H 1 2.644 0.020 . 2 . . . A 26 TYR HB2 . 19147 1 307 . 1 1 26 26 TYR HB3 H 1 2.571 0.020 . 2 . . . A 26 TYR HB3 . 19147 1 308 . 1 1 26 26 TYR HD1 H 1 6.853 0.020 . 1 . . . A 26 TYR HD1 . 19147 1 309 . 1 1 26 26 TYR HD2 H 1 6.853 0.020 . 1 . . . A 26 TYR HD2 . 19147 1 310 . 1 1 26 26 TYR HE1 H 1 6.678 0.020 . 1 . . . A 26 TYR HE1 . 19147 1 311 . 1 1 26 26 TYR HE2 H 1 6.678 0.020 . 1 . . . A 26 TYR HE2 . 19147 1 312 . 1 1 26 26 TYR C C 13 173.550 0.300 . 1 . . . A 26 TYR C . 19147 1 313 . 1 1 26 26 TYR CA C 13 54.572 0.300 . 1 . . . A 26 TYR CA . 19147 1 314 . 1 1 26 26 TYR CB C 13 40.463 0.300 . 1 . . . A 26 TYR CB . 19147 1 315 . 1 1 26 26 TYR CD2 C 13 133.136 0.300 . 1 . . . A 26 TYR CD2 . 19147 1 316 . 1 1 26 26 TYR CE2 C 13 118.365 0.300 . 1 . . . A 26 TYR CE2 . 19147 1 317 . 1 1 26 26 TYR N N 15 128.452 0.300 . 1 . . . A 26 TYR N . 19147 1 318 . 1 1 27 27 ASP H H 1 8.714 0.020 . 1 . . . A 27 ASP H . 19147 1 319 . 1 1 27 27 ASP HA H 1 4.525 0.020 . 1 . . . A 27 ASP HA . 19147 1 320 . 1 1 27 27 ASP HB2 H 1 2.599 0.020 . 2 . . . A 27 ASP HB2 . 19147 1 321 . 1 1 27 27 ASP HB3 H 1 2.120 0.020 . 2 . . . A 27 ASP HB3 . 19147 1 322 . 1 1 27 27 ASP C C 13 175.920 0.300 . 1 . . . A 27 ASP C . 19147 1 323 . 1 1 27 27 ASP CA C 13 51.470 0.300 . 1 . . . A 27 ASP CA . 19147 1 324 . 1 1 27 27 ASP CB C 13 42.426 0.300 . 1 . . . A 27 ASP CB . 19147 1 325 . 1 1 27 27 ASP N N 15 129.563 0.300 . 1 . . . A 27 ASP N . 19147 1 326 . 1 1 28 28 CYS H H 1 8.226 0.020 . 1 . . . A 28 CYS H . 19147 1 327 . 1 1 28 28 CYS HA H 1 3.753 0.020 . 1 . . . A 28 CYS HA . 19147 1 328 . 1 1 28 28 CYS HB2 H 1 2.856 0.020 . 2 . . . A 28 CYS HB2 . 19147 1 329 . 1 1 28 28 CYS HB3 H 1 2.478 0.020 . 2 . . . A 28 CYS HB3 . 19147 1 330 . 1 1 28 28 CYS C C 13 175.043 0.300 . 1 . . . A 28 CYS C . 19147 1 331 . 1 1 28 28 CYS CA C 13 58.504 0.300 . 1 . . . A 28 CYS CA . 19147 1 332 . 1 1 28 28 CYS CB C 13 26.501 0.300 . 1 . . . A 28 CYS CB . 19147 1 333 . 1 1 28 28 CYS N N 15 122.534 0.300 . 1 . . . A 28 CYS N . 19147 1 334 . 1 1 29 29 TYR H H 1 8.206 0.020 . 1 . . . A 29 TYR H . 19147 1 335 . 1 1 29 29 TYR HA H 1 4.319 0.020 . 1 . . . A 29 TYR HA . 19147 1 336 . 1 1 29 29 TYR HB2 H 1 3.039 0.020 . 2 . . . A 29 TYR HB2 . 19147 1 337 . 1 1 29 29 TYR HB3 H 1 3.039 0.020 . 2 . . . A 29 TYR HB3 . 19147 1 338 . 1 1 29 29 TYR HD1 H 1 7.094 0.020 . 1 . . . A 29 TYR HD1 . 19147 1 339 . 1 1 29 29 TYR HD2 H 1 7.094 0.020 . 1 . . . A 29 TYR HD2 . 19147 1 340 . 1 1 29 29 TYR HE1 H 1 6.734 0.020 . 1 . . . A 29 TYR HE1 . 19147 1 341 . 1 1 29 29 TYR HE2 H 1 6.734 0.020 . 1 . . . A 29 TYR HE2 . 19147 1 342 . 1 1 29 29 TYR C C 13 177.722 0.300 . 1 . . . A 29 TYR C . 19147 1 343 . 1 1 29 29 TYR CA C 13 59.695 0.300 . 1 . . . A 29 TYR CA . 19147 1 344 . 1 1 29 29 TYR CB C 13 37.305 0.300 . 1 . . . A 29 TYR CB . 19147 1 345 . 1 1 29 29 TYR CD1 C 13 133.350 0.300 . 1 . . . A 29 TYR CD1 . 19147 1 346 . 1 1 29 29 TYR CE1 C 13 118.365 0.300 . 1 . . . A 29 TYR CE1 . 19147 1 347 . 1 1 29 29 TYR N N 15 123.853 0.300 . 1 . . . A 29 TYR N . 19147 1 348 . 1 1 30 30 LEU H H 1 7.681 0.020 . 1 . . . A 30 LEU H . 19147 1 349 . 1 1 30 30 LEU HA H 1 4.068 0.020 . 1 . . . A 30 LEU HA . 19147 1 350 . 1 1 30 30 LEU HB2 H 1 1.145 0.020 . 2 . . . A 30 LEU HB2 . 19147 1 351 . 1 1 30 30 LEU HB3 H 1 1.433 0.020 . 2 . . . A 30 LEU HB3 . 19147 1 352 . 1 1 30 30 LEU HG H 1 1.583 0.020 . 1 . . . A 30 LEU HG . 19147 1 353 . 1 1 30 30 LEU HD11 H 1 0.690 0.020 . 2 . . . A 30 LEU HD11 . 19147 1 354 . 1 1 30 30 LEU HD12 H 1 0.690 0.020 . 2 . . . A 30 LEU HD12 . 19147 1 355 . 1 1 30 30 LEU HD13 H 1 0.690 0.020 . 2 . . . A 30 LEU HD13 . 19147 1 356 . 1 1 30 30 LEU HD21 H 1 0.715 0.020 . 2 . . . A 30 LEU HD21 . 19147 1 357 . 1 1 30 30 LEU HD22 H 1 0.715 0.020 . 2 . . . A 30 LEU HD22 . 19147 1 358 . 1 1 30 30 LEU HD23 H 1 0.715 0.020 . 2 . . . A 30 LEU HD23 . 19147 1 359 . 1 1 30 30 LEU C C 13 177.058 0.300 . 1 . . . A 30 LEU C . 19147 1 360 . 1 1 30 30 LEU CA C 13 53.970 0.300 . 1 . . . A 30 LEU CA . 19147 1 361 . 1 1 30 30 LEU CB C 13 42.216 0.300 . 1 . . . A 30 LEU CB . 19147 1 362 . 1 1 30 30 LEU CG C 13 26.444 0.300 . 1 . . . A 30 LEU CG . 19147 1 363 . 1 1 30 30 LEU CD1 C 13 25.105 0.300 . 1 . . . A 30 LEU CD1 . 19147 1 364 . 1 1 30 30 LEU CD2 C 13 21.315 0.300 . 1 . . . A 30 LEU CD2 . 19147 1 365 . 1 1 30 30 LEU N N 15 117.184 0.300 . 1 . . . A 30 LEU N . 19147 1 366 . 1 1 31 31 GLN H H 1 7.740 0.020 . 1 . . . A 31 GLN H . 19147 1 367 . 1 1 31 31 GLN HA H 1 3.551 0.020 . 1 . . . A 31 GLN HA . 19147 1 368 . 1 1 31 31 GLN HB2 H 1 2.172 0.020 . 2 . . . A 31 GLN HB2 . 19147 1 369 . 1 1 31 31 GLN HB3 H 1 2.341 0.020 . 2 . . . A 31 GLN HB3 . 19147 1 370 . 1 1 31 31 GLN HG2 H 1 2.112 0.020 . 2 . . . A 31 GLN HG2 . 19147 1 371 . 1 1 31 31 GLN HG3 H 1 2.112 0.020 . 2 . . . A 31 GLN HG3 . 19147 1 372 . 1 1 31 31 GLN HE21 H 1 6.789 0.020 . 2 . . . A 31 GLN HE21 . 19147 1 373 . 1 1 31 31 GLN HE22 H 1 7.653 0.020 . 2 . . . A 31 GLN HE22 . 19147 1 374 . 1 1 31 31 GLN C C 13 173.739 0.300 . 1 . . . A 31 GLN C . 19147 1 375 . 1 1 31 31 GLN CA C 13 57.133 0.300 . 1 . . . A 31 GLN CA . 19147 1 376 . 1 1 31 31 GLN CB C 13 25.119 0.300 . 1 . . . A 31 GLN CB . 19147 1 377 . 1 1 31 31 GLN CG C 13 34.253 0.300 . 1 . . . A 31 GLN CG . 19147 1 378 . 1 1 31 31 GLN N N 15 115.267 0.300 . 1 . . . A 31 GLN N . 19147 1 379 . 1 1 31 31 GLN NE2 N 15 114.002 0.300 . 1 . . . A 31 GLN NE2 . 19147 1 380 . 1 1 32 32 ARG H H 1 7.213 0.020 . 1 . . . A 32 ARG H . 19147 1 381 . 1 1 32 32 ARG HA H 1 5.053 0.020 . 1 . . . A 32 ARG HA . 19147 1 382 . 1 1 32 32 ARG HB2 H 1 1.014 0.020 . 2 . . . A 32 ARG HB2 . 19147 1 383 . 1 1 32 32 ARG HB3 H 1 0.924 0.020 . 2 . . . A 32 ARG HB3 . 19147 1 384 . 1 1 32 32 ARG HG2 H 1 0.449 0.020 . 2 . . . A 32 ARG HG2 . 19147 1 385 . 1 1 32 32 ARG HG3 H 1 0.449 0.020 . 2 . . . A 32 ARG HG3 . 19147 1 386 . 1 1 32 32 ARG HD2 H 1 2.284 0.020 . 2 . . . A 32 ARG HD2 . 19147 1 387 . 1 1 32 32 ARG HD3 H 1 1.086 0.020 . 2 . . . A 32 ARG HD3 . 19147 1 388 . 1 1 32 32 ARG HE H 1 8.395 0.020 . 1 . . . A 32 ARG HE . 19147 1 389 . 1 1 32 32 ARG C C 13 173.384 0.300 . 1 . . . A 32 ARG C . 19147 1 390 . 1 1 32 32 ARG CA C 13 52.928 0.300 . 1 . . . A 32 ARG CA . 19147 1 391 . 1 1 32 32 ARG CB C 13 36.499 0.300 . 1 . . . A 32 ARG CB . 19147 1 392 . 1 1 32 32 ARG CG C 13 25.113 0.300 . 1 . . . A 32 ARG CG . 19147 1 393 . 1 1 32 32 ARG CD C 13 43.071 0.300 . 1 . . . A 32 ARG CD . 19147 1 394 . 1 1 32 32 ARG N N 15 120.485 0.300 . 1 . . . A 32 ARG N . 19147 1 395 . 1 1 33 33 ALA H H 1 8.763 0.020 . 1 . . . A 33 ALA H . 19147 1 396 . 1 1 33 33 ALA HA H 1 5.295 0.020 . 1 . . . A 33 ALA HA . 19147 1 397 . 1 1 33 33 ALA HB1 H 1 0.205 0.020 . 1 . . . A 33 ALA HB1 . 19147 1 398 . 1 1 33 33 ALA HB2 H 1 0.205 0.020 . 1 . . . A 33 ALA HB2 . 19147 1 399 . 1 1 33 33 ALA HB3 H 1 0.205 0.020 . 1 . . . A 33 ALA HB3 . 19147 1 400 . 1 1 33 33 ALA C C 13 174.522 0.300 . 1 . . . A 33 ALA C . 19147 1 401 . 1 1 33 33 ALA CA C 13 49.099 0.300 . 1 . . . A 33 ALA CA . 19147 1 402 . 1 1 33 33 ALA CB C 13 20.309 0.300 . 1 . . . A 33 ALA CB . 19147 1 403 . 1 1 33 33 ALA N N 15 130.237 0.300 . 1 . . . A 33 ALA N . 19147 1 404 . 1 1 34 34 THR H H 1 8.269 0.020 . 1 . . . A 34 THR H . 19147 1 405 . 1 1 34 34 THR HA H 1 4.904 0.020 . 1 . . . A 34 THR HA . 19147 1 406 . 1 1 34 34 THR HB H 1 3.446 0.020 . 1 . . . A 34 THR HB . 19147 1 407 . 1 1 34 34 THR HG21 H 1 0.971 0.020 . 1 . . . A 34 THR HG21 . 19147 1 408 . 1 1 34 34 THR HG22 H 1 0.971 0.020 . 1 . . . A 34 THR HG22 . 19147 1 409 . 1 1 34 34 THR HG23 H 1 0.971 0.020 . 1 . . . A 34 THR HG23 . 19147 1 410 . 1 1 34 34 THR C C 13 173.597 0.300 . 1 . . . A 34 THR C . 19147 1 411 . 1 1 34 34 THR CA C 13 60.450 0.300 . 1 . . . A 34 THR CA . 19147 1 412 . 1 1 34 34 THR CB C 13 70.553 0.300 . 1 . . . A 34 THR CB . 19147 1 413 . 1 1 34 34 THR CG2 C 13 21.948 0.300 . 1 . . . A 34 THR CG2 . 19147 1 414 . 1 1 34 34 THR N N 15 114.351 0.300 . 1 . . . A 34 THR N . 19147 1 415 . 1 1 35 35 CYS H H 1 9.133 0.020 . 1 . . . A 35 CYS H . 19147 1 416 . 1 1 35 35 CYS HA H 1 3.909 0.020 . 1 . . . A 35 CYS HA . 19147 1 417 . 1 1 35 35 CYS HB2 H 1 3.480 0.020 . 2 . . . A 35 CYS HB2 . 19147 1 418 . 1 1 35 35 CYS HB3 H 1 3.114 0.020 . 2 . . . A 35 CYS HB3 . 19147 1 419 . 1 1 35 35 CYS C C 13 175.825 0.300 . 1 . . . A 35 CYS C . 19147 1 420 . 1 1 35 35 CYS CA C 13 61.216 0.300 . 1 . . . A 35 CYS CA . 19147 1 421 . 1 1 35 35 CYS CB C 13 31.563 0.300 . 1 . . . A 35 CYS CB . 19147 1 422 . 1 1 35 35 CYS N N 15 133.180 0.300 . 1 . . . A 35 CYS N . 19147 1 423 . 1 1 36 36 LYS H H 1 8.343 0.020 . 1 . . . A 36 LYS H . 19147 1 424 . 1 1 36 36 LYS HA H 1 4.324 0.020 . 1 . . . A 36 LYS HA . 19147 1 425 . 1 1 36 36 LYS HB2 H 1 2.001 0.020 . 2 . . . A 36 LYS HB2 . 19147 1 426 . 1 1 36 36 LYS HB3 H 1 1.605 0.020 . 2 . . . A 36 LYS HB3 . 19147 1 427 . 1 1 36 36 LYS HG2 H 1 1.444 0.020 . 2 . . . A 36 LYS HG2 . 19147 1 428 . 1 1 36 36 LYS HG3 H 1 1.444 0.020 . 2 . . . A 36 LYS HG3 . 19147 1 429 . 1 1 36 36 LYS HD2 H 1 1.606 0.020 . 2 . . . A 36 LYS HD2 . 19147 1 430 . 1 1 36 36 LYS HD3 H 1 1.606 0.020 . 2 . . . A 36 LYS HD3 . 19147 1 431 . 1 1 36 36 LYS HE2 H 1 2.831 0.020 . 2 . . . A 36 LYS HE2 . 19147 1 432 . 1 1 36 36 LYS HE3 H 1 2.831 0.020 . 2 . . . A 36 LYS HE3 . 19147 1 433 . 1 1 36 36 LYS C C 13 176.323 0.300 . 1 . . . A 36 LYS C . 19147 1 434 . 1 1 36 36 LYS CA C 13 55.921 0.300 . 1 . . . A 36 LYS CA . 19147 1 435 . 1 1 36 36 LYS CB C 13 32.422 0.300 . 1 . . . A 36 LYS CB . 19147 1 436 . 1 1 36 36 LYS CG C 13 24.738 0.300 . 1 . . . A 36 LYS CG . 19147 1 437 . 1 1 36 36 LYS CD C 13 28.633 0.300 . 1 . . . A 36 LYS CD . 19147 1 438 . 1 1 36 36 LYS CE C 13 41.662 0.300 . 1 . . . A 36 LYS CE . 19147 1 439 . 1 1 36 36 LYS N N 15 125.753 0.300 . 1 . . . A 36 LYS N . 19147 1 440 . 1 1 37 37 ARG H H 1 9.381 0.020 . 1 . . . A 37 ARG H . 19147 1 441 . 1 1 37 37 ARG HA H 1 4.133 0.020 . 1 . . . A 37 ARG HA . 19147 1 442 . 1 1 37 37 ARG HB2 H 1 1.699 0.020 . 2 . . . A 37 ARG HB2 . 19147 1 443 . 1 1 37 37 ARG HB3 H 1 1.978 0.020 . 2 . . . A 37 ARG HB3 . 19147 1 444 . 1 1 37 37 ARG HG2 H 1 1.642 0.020 . 2 . . . A 37 ARG HG2 . 19147 1 445 . 1 1 37 37 ARG HG3 H 1 1.511 0.020 . 2 . . . A 37 ARG HG3 . 19147 1 446 . 1 1 37 37 ARG HD2 H 1 3.271 0.020 . 2 . . . A 37 ARG HD2 . 19147 1 447 . 1 1 37 37 ARG HD3 H 1 3.183 0.020 . 2 . . . A 37 ARG HD3 . 19147 1 448 . 1 1 37 37 ARG C C 13 177.650 0.300 . 1 . . . A 37 ARG C . 19147 1 449 . 1 1 37 37 ARG CA C 13 56.595 0.300 . 1 . . . A 37 ARG CA . 19147 1 450 . 1 1 37 37 ARG CB C 13 30.759 0.300 . 1 . . . A 37 ARG CB . 19147 1 451 . 1 1 37 37 ARG CG C 13 26.693 0.300 . 1 . . . A 37 ARG CG . 19147 1 452 . 1 1 37 37 ARG CD C 13 43.120 0.300 . 1 . . . A 37 ARG CD . 19147 1 453 . 1 1 37 37 ARG N N 15 127.726 0.300 . 1 . . . A 37 ARG N . 19147 1 454 . 1 1 38 38 GLU H H 1 9.079 0.020 . 1 . . . A 38 GLU H . 19147 1 455 . 1 1 38 38 GLU HA H 1 3.933 0.020 . 1 . . . A 38 GLU HA . 19147 1 456 . 1 1 38 38 GLU HB2 H 1 1.949 0.020 . 2 . . . A 38 GLU HB2 . 19147 1 457 . 1 1 38 38 GLU HB3 H 1 1.886 0.020 . 2 . . . A 38 GLU HB3 . 19147 1 458 . 1 1 38 38 GLU HG2 H 1 2.205 0.020 . 2 . . . A 38 GLU HG2 . 19147 1 459 . 1 1 38 38 GLU HG3 H 1 2.205 0.020 . 2 . . . A 38 GLU HG3 . 19147 1 460 . 1 1 38 38 GLU C C 13 177.342 0.300 . 1 . . . A 38 GLU C . 19147 1 461 . 1 1 38 38 GLU CA C 13 58.288 0.300 . 1 . . . A 38 GLU CA . 19147 1 462 . 1 1 38 38 GLU CB C 13 28.628 0.300 . 1 . . . A 38 GLU CB . 19147 1 463 . 1 1 38 38 GLU CG C 13 35.622 0.300 . 1 . . . A 38 GLU CG . 19147 1 464 . 1 1 38 38 GLU N N 15 131.710 0.300 . 1 . . . A 38 GLU N . 19147 1 465 . 1 1 39 39 GLY H H 1 8.693 0.020 . 1 . . . A 39 GLY H . 19147 1 466 . 1 1 39 39 GLY HA2 H 1 4.085 0.020 . 1 . . . A 39 GLY HA2 . 19147 1 467 . 1 1 39 39 GLY HA3 H 1 3.663 0.020 . 1 . . . A 39 GLY HA3 . 19147 1 468 . 1 1 39 39 GLY C C 13 173.431 0.300 . 1 . . . A 39 GLY C . 19147 1 469 . 1 1 39 39 GLY CA C 13 44.725 0.300 . 1 . . . A 39 GLY CA . 19147 1 470 . 1 1 39 39 GLY N N 15 112.546 0.300 . 1 . . . A 39 GLY N . 19147 1 471 . 1 1 40 40 CYS H H 1 7.838 0.020 . 1 . . . A 40 CYS H . 19147 1 472 . 1 1 40 40 CYS HA H 1 4.492 0.020 . 1 . . . A 40 CYS HA . 19147 1 473 . 1 1 40 40 CYS HB2 H 1 2.595 0.020 . 2 . . . A 40 CYS HB2 . 19147 1 474 . 1 1 40 40 CYS HB3 H 1 2.969 0.020 . 2 . . . A 40 CYS HB3 . 19147 1 475 . 1 1 40 40 CYS C C 13 175.659 0.300 . 1 . . . A 40 CYS C . 19147 1 476 . 1 1 40 40 CYS CA C 13 59.558 0.300 . 1 . . . A 40 CYS CA . 19147 1 477 . 1 1 40 40 CYS CB C 13 30.181 0.300 . 1 . . . A 40 CYS CB . 19147 1 478 . 1 1 40 40 CYS N N 15 123.383 0.300 . 1 . . . A 40 CYS N . 19147 1 479 . 1 1 41 41 GLY H H 1 8.109 0.020 . 1 . . . A 41 GLY H . 19147 1 480 . 1 1 41 41 GLY HA2 H 1 3.977 0.020 . 1 . . . A 41 GLY HA2 . 19147 1 481 . 1 1 41 41 GLY HA3 H 1 3.873 0.020 . 1 . . . A 41 GLY HA3 . 19147 1 482 . 1 1 41 41 GLY C C 13 174.261 0.300 . 1 . . . A 41 GLY C . 19147 1 483 . 1 1 41 41 GLY CA C 13 46.283 0.300 . 1 . . . A 41 GLY CA . 19147 1 484 . 1 1 41 41 GLY N N 15 108.697 0.300 . 1 . . . A 41 GLY N . 19147 1 485 . 1 1 42 42 PHE H H 1 8.140 0.020 . 1 . . . A 42 PHE H . 19147 1 486 . 1 1 42 42 PHE HA H 1 4.579 0.020 . 1 . . . A 42 PHE HA . 19147 1 487 . 1 1 42 42 PHE HB2 H 1 3.164 0.020 . 2 . . . A 42 PHE HB2 . 19147 1 488 . 1 1 42 42 PHE HB3 H 1 3.203 0.020 . 2 . . . A 42 PHE HB3 . 19147 1 489 . 1 1 42 42 PHE HD1 H 1 7.078 0.020 . 1 . . . A 42 PHE HD1 . 19147 1 490 . 1 1 42 42 PHE HD2 H 1 7.078 0.020 . 1 . . . A 42 PHE HD2 . 19147 1 491 . 1 1 42 42 PHE HE1 H 1 6.892 0.020 . 1 . . . A 42 PHE HE1 . 19147 1 492 . 1 1 42 42 PHE HE2 H 1 6.892 0.020 . 1 . . . A 42 PHE HE2 . 19147 1 493 . 1 1 42 42 PHE HZ H 1 7.070 0.020 . 1 . . . A 42 PHE HZ . 19147 1 494 . 1 1 42 42 PHE C C 13 172.886 0.300 . 1 . . . A 42 PHE C . 19147 1 495 . 1 1 42 42 PHE CA C 13 58.164 0.300 . 1 . . . A 42 PHE CA . 19147 1 496 . 1 1 42 42 PHE CB C 13 38.872 0.300 . 1 . . . A 42 PHE CB . 19147 1 497 . 1 1 42 42 PHE CD1 C 13 131.531 0.300 . 1 . . . A 42 PHE CD1 . 19147 1 498 . 1 1 42 42 PHE CE1 C 13 131.495 0.300 . 1 . . . A 42 PHE CE1 . 19147 1 499 . 1 1 42 42 PHE CZ C 13 129.767 0.300 . 1 . . . A 42 PHE CZ . 19147 1 500 . 1 1 42 42 PHE N N 15 124.198 0.300 . 1 . . . A 42 PHE N . 19147 1 501 . 1 1 43 43 ASP H H 1 7.830 0.020 . 1 . . . A 43 ASP H . 19147 1 502 . 1 1 43 43 ASP HA H 1 5.377 0.020 . 1 . . . A 43 ASP HA . 19147 1 503 . 1 1 43 43 ASP HB2 H 1 2.909 0.020 . 2 . . . A 43 ASP HB2 . 19147 1 504 . 1 1 43 43 ASP HB3 H 1 2.414 0.020 . 2 . . . A 43 ASP HB3 . 19147 1 505 . 1 1 43 43 ASP C C 13 175.493 0.300 . 1 . . . A 43 ASP C . 19147 1 506 . 1 1 43 43 ASP CA C 13 51.991 0.300 . 1 . . . A 43 ASP CA . 19147 1 507 . 1 1 43 43 ASP CB C 13 42.089 0.300 . 1 . . . A 43 ASP CB . 19147 1 508 . 1 1 43 43 ASP N N 15 129.158 0.300 . 1 . . . A 43 ASP N . 19147 1 509 . 1 1 44 44 TYR H H 1 9.264 0.020 . 1 . . . A 44 TYR H . 19147 1 510 . 1 1 44 44 TYR HA H 1 5.072 0.020 . 1 . . . A 44 TYR HA . 19147 1 511 . 1 1 44 44 TYR HB2 H 1 2.253 0.020 . 2 . . . A 44 TYR HB2 . 19147 1 512 . 1 1 44 44 TYR HB3 H 1 1.294 0.020 . 2 . . . A 44 TYR HB3 . 19147 1 513 . 1 1 44 44 TYR HD1 H 1 6.400 0.020 . 1 . . . A 44 TYR HD1 . 19147 1 514 . 1 1 44 44 TYR HD2 H 1 6.400 0.020 . 1 . . . A 44 TYR HD2 . 19147 1 515 . 1 1 44 44 TYR HE1 H 1 6.496 0.020 . 1 . . . A 44 TYR HE1 . 19147 1 516 . 1 1 44 44 TYR HE2 H 1 6.496 0.020 . 1 . . . A 44 TYR HE2 . 19147 1 517 . 1 1 44 44 TYR C C 13 173.882 0.300 . 1 . . . A 44 TYR C . 19147 1 518 . 1 1 44 44 TYR CA C 13 54.551 0.300 . 1 . . . A 44 TYR CA . 19147 1 519 . 1 1 44 44 TYR CB C 13 41.061 0.300 . 1 . . . A 44 TYR CB . 19147 1 520 . 1 1 44 44 TYR CD1 C 13 135.848 0.300 . 1 . . . A 44 TYR CD1 . 19147 1 521 . 1 1 44 44 TYR CE1 C 13 117.188 0.300 . 1 . . . A 44 TYR CE1 . 19147 1 522 . 1 1 44 44 TYR N N 15 121.015 0.300 . 1 . . . A 44 TYR N . 19147 1 523 . 1 1 45 45 CYS H H 1 8.420 0.020 . 1 . . . A 45 CYS H . 19147 1 524 . 1 1 45 45 CYS HA H 1 5.157 0.020 . 1 . . . A 45 CYS HA . 19147 1 525 . 1 1 45 45 CYS HB2 H 1 3.504 0.020 . 2 . . . A 45 CYS HB2 . 19147 1 526 . 1 1 45 45 CYS HB3 H 1 2.632 0.020 . 2 . . . A 45 CYS HB3 . 19147 1 527 . 1 1 45 45 CYS C C 13 178.385 0.300 . 1 . . . A 45 CYS C . 19147 1 528 . 1 1 45 45 CYS CA C 13 56.934 0.300 . 1 . . . A 45 CYS CA . 19147 1 529 . 1 1 45 45 CYS CB C 13 31.953 0.300 . 1 . . . A 45 CYS CB . 19147 1 530 . 1 1 45 45 CYS N N 15 121.008 0.300 . 1 . . . A 45 CYS N . 19147 1 531 . 1 1 46 46 THR H H 1 8.518 0.020 . 1 . . . A 46 THR H . 19147 1 532 . 1 1 46 46 THR HA H 1 4.090 0.020 . 1 . . . A 46 THR HA . 19147 1 533 . 1 1 46 46 THR HB H 1 4.379 0.020 . 1 . . . A 46 THR HB . 19147 1 534 . 1 1 46 46 THR HG21 H 1 0.822 0.020 . 1 . . . A 46 THR HG21 . 19147 1 535 . 1 1 46 46 THR HG22 H 1 0.822 0.020 . 1 . . . A 46 THR HG22 . 19147 1 536 . 1 1 46 46 THR HG23 H 1 0.822 0.020 . 1 . . . A 46 THR HG23 . 19147 1 537 . 1 1 46 46 THR C C 13 174.593 0.300 . 1 . . . A 46 THR C . 19147 1 538 . 1 1 46 46 THR CA C 13 64.084 0.300 . 1 . . . A 46 THR CA . 19147 1 539 . 1 1 46 46 THR CB C 13 66.577 0.300 . 1 . . . A 46 THR CB . 19147 1 540 . 1 1 46 46 THR CG2 C 13 23.637 0.300 . 1 . . . A 46 THR CG2 . 19147 1 541 . 1 1 46 46 THR N N 15 120.657 0.300 . 1 . . . A 46 THR N . 19147 1 542 . 1 1 47 47 LYS H H 1 9.452 0.020 . 1 . . . A 47 LYS H . 19147 1 543 . 1 1 47 47 LYS HA H 1 4.377 0.020 . 1 . . . A 47 LYS HA . 19147 1 544 . 1 1 47 47 LYS HB2 H 1 1.853 0.020 . 2 . . . A 47 LYS HB2 . 19147 1 545 . 1 1 47 47 LYS HB3 H 1 1.853 0.020 . 2 . . . A 47 LYS HB3 . 19147 1 546 . 1 1 47 47 LYS HG2 H 1 1.402 0.020 . 2 . . . A 47 LYS HG2 . 19147 1 547 . 1 1 47 47 LYS HG3 H 1 1.402 0.020 . 2 . . . A 47 LYS HG3 . 19147 1 548 . 1 1 47 47 LYS HD2 H 1 1.722 0.020 . 2 . . . A 47 LYS HD2 . 19147 1 549 . 1 1 47 47 LYS HD3 H 1 1.722 0.020 . 2 . . . A 47 LYS HD3 . 19147 1 550 . 1 1 47 47 LYS HE2 H 1 2.909 0.020 . 2 . . . A 47 LYS HE2 . 19147 1 551 . 1 1 47 47 LYS HE3 H 1 2.909 0.020 . 2 . . . A 47 LYS HE3 . 19147 1 552 . 1 1 47 47 LYS C C 13 177.319 0.300 . 1 . . . A 47 LYS C . 19147 1 553 . 1 1 47 47 LYS CA C 13 58.163 0.300 . 1 . . . A 47 LYS CA . 19147 1 554 . 1 1 47 47 LYS CB C 13 32.753 0.300 . 1 . . . A 47 LYS CB . 19147 1 555 . 1 1 47 47 LYS CG C 13 24.441 0.300 . 1 . . . A 47 LYS CG . 19147 1 556 . 1 1 47 47 LYS CD C 13 28.878 0.300 . 1 . . . A 47 LYS CD . 19147 1 557 . 1 1 47 47 LYS CE C 13 41.611 0.300 . 1 . . . A 47 LYS CE . 19147 1 558 . 1 1 47 47 LYS N N 15 124.516 0.300 . 1 . . . A 47 LYS N . 19147 1 559 . 1 1 48 48 CYS H H 1 8.244 0.020 . 1 . . . A 48 CYS H . 19147 1 560 . 1 1 48 48 CYS HA H 1 4.817 0.020 . 1 . . . A 48 CYS HA . 19147 1 561 . 1 1 48 48 CYS HB2 H 1 3.013 0.020 . 2 . . . A 48 CYS HB2 . 19147 1 562 . 1 1 48 48 CYS HB3 H 1 3.362 0.020 . 2 . . . A 48 CYS HB3 . 19147 1 563 . 1 1 48 48 CYS C C 13 175.920 0.300 . 1 . . . A 48 CYS C . 19147 1 564 . 1 1 48 48 CYS CA C 13 57.997 0.300 . 1 . . . A 48 CYS CA . 19147 1 565 . 1 1 48 48 CYS CB C 13 32.109 0.300 . 1 . . . A 48 CYS CB . 19147 1 566 . 1 1 48 48 CYS N N 15 116.543 0.300 . 1 . . . A 48 CYS N . 19147 1 567 . 1 1 49 49 LEU H H 1 8.181 0.020 . 1 . . . A 49 LEU H . 19147 1 568 . 1 1 49 49 LEU HA H 1 4.247 0.020 . 1 . . . A 49 LEU HA . 19147 1 569 . 1 1 49 49 LEU HB2 H 1 1.533 0.020 . 2 . . . A 49 LEU HB2 . 19147 1 570 . 1 1 49 49 LEU HB3 H 1 2.185 0.020 . 2 . . . A 49 LEU HB3 . 19147 1 571 . 1 1 49 49 LEU HG H 1 1.379 0.020 . 1 . . . A 49 LEU HG . 19147 1 572 . 1 1 49 49 LEU HD11 H 1 0.887 0.020 . 2 . . . A 49 LEU HD11 . 19147 1 573 . 1 1 49 49 LEU HD12 H 1 0.887 0.020 . 2 . . . A 49 LEU HD12 . 19147 1 574 . 1 1 49 49 LEU HD13 H 1 0.887 0.020 . 2 . . . A 49 LEU HD13 . 19147 1 575 . 1 1 49 49 LEU HD21 H 1 0.887 0.020 . 2 . . . A 49 LEU HD21 . 19147 1 576 . 1 1 49 49 LEU HD22 H 1 0.887 0.020 . 2 . . . A 49 LEU HD22 . 19147 1 577 . 1 1 49 49 LEU HD23 H 1 0.887 0.020 . 2 . . . A 49 LEU HD23 . 19147 1 578 . 1 1 49 49 LEU C C 13 176.916 0.300 . 1 . . . A 49 LEU C . 19147 1 579 . 1 1 49 49 LEU CA C 13 56.333 0.300 . 1 . . . A 49 LEU CA . 19147 1 580 . 1 1 49 49 LEU CB C 13 36.861 0.300 . 1 . . . A 49 LEU CB . 19147 1 581 . 1 1 49 49 LEU CG C 13 26.905 0.300 . 1 . . . A 49 LEU CG . 19147 1 582 . 1 1 49 49 LEU CD1 C 13 22.144 0.300 . 1 . . . A 49 LEU CD1 . 19147 1 583 . 1 1 49 49 LEU N N 15 118.590 0.300 . 1 . . . A 49 LEU N . 19147 1 584 . 1 1 50 50 CYS H H 1 8.001 0.020 . 1 . . . A 50 CYS H . 19147 1 585 . 1 1 50 50 CYS HA H 1 4.938 0.020 . 1 . . . A 50 CYS HA . 19147 1 586 . 1 1 50 50 CYS HB2 H 1 3.344 0.020 . 2 . . . A 50 CYS HB2 . 19147 1 587 . 1 1 50 50 CYS HB3 H 1 3.085 0.020 . 2 . . . A 50 CYS HB3 . 19147 1 588 . 1 1 50 50 CYS C C 13 173.194 0.300 . 1 . . . A 50 CYS C . 19147 1 589 . 1 1 50 50 CYS CA C 13 57.589 0.300 . 1 . . . A 50 CYS CA . 19147 1 590 . 1 1 50 50 CYS CB C 13 30.662 0.300 . 1 . . . A 50 CYS CB . 19147 1 591 . 1 1 50 50 CYS N N 15 115.484 0.300 . 1 . . . A 50 CYS N . 19147 1 592 . 1 1 51 51 ASN H H 1 8.453 0.020 . 1 . . . A 51 ASN H . 19147 1 593 . 1 1 51 51 ASN HA H 1 4.427 0.020 . 1 . . . A 51 ASN HA . 19147 1 594 . 1 1 51 51 ASN HB2 H 1 2.674 0.020 . 2 . . . A 51 ASN HB2 . 19147 1 595 . 1 1 51 51 ASN HB3 H 1 2.884 0.020 . 2 . . . A 51 ASN HB3 . 19147 1 596 . 1 1 51 51 ASN HD21 H 1 7.083 0.020 . 2 . . . A 51 ASN HD21 . 19147 1 597 . 1 1 51 51 ASN HD22 H 1 7.845 0.020 . 2 . . . A 51 ASN HD22 . 19147 1 598 . 1 1 51 51 ASN C C 13 174.640 0.300 . 1 . . . A 51 ASN C . 19147 1 599 . 1 1 51 51 ASN CA C 13 54.190 0.300 . 1 . . . A 51 ASN CA . 19147 1 600 . 1 1 51 51 ASN CB C 13 38.421 0.300 . 1 . . . A 51 ASN CB . 19147 1 601 . 1 1 51 51 ASN N N 15 116.975 0.300 . 1 . . . A 51 ASN N . 19147 1 602 . 1 1 51 51 ASN ND2 N 15 113.204 0.300 . 1 . . . A 51 ASN ND2 . 19147 1 603 . 1 1 52 52 TYR H H 1 8.903 0.020 . 1 . . . A 52 TYR H . 19147 1 604 . 1 1 52 52 TYR HA H 1 3.628 0.020 . 1 . . . A 52 TYR HA . 19147 1 605 . 1 1 52 52 TYR HB2 H 1 2.380 0.020 . 2 . . . A 52 TYR HB2 . 19147 1 606 . 1 1 52 52 TYR HB3 H 1 2.380 0.020 . 2 . . . A 52 TYR HB3 . 19147 1 607 . 1 1 52 52 TYR HD1 H 1 6.673 0.020 . 1 . . . A 52 TYR HD1 . 19147 1 608 . 1 1 52 52 TYR HD2 H 1 6.673 0.020 . 1 . . . A 52 TYR HD2 . 19147 1 609 . 1 1 52 52 TYR HE1 H 1 6.629 0.020 . 1 . . . A 52 TYR HE1 . 19147 1 610 . 1 1 52 52 TYR HE2 H 1 6.629 0.020 . 1 . . . A 52 TYR HE2 . 19147 1 611 . 1 1 52 52 TYR C C 13 173.953 0.300 . 1 . . . A 52 TYR C . 19147 1 612 . 1 1 52 52 TYR CA C 13 61.742 0.300 . 1 . . . A 52 TYR CA . 19147 1 613 . 1 1 52 52 TYR CB C 13 37.030 0.300 . 1 . . . A 52 TYR CB . 19147 1 614 . 1 1 52 52 TYR CD1 C 13 132.316 0.300 . 1 . . . A 52 TYR CD1 . 19147 1 615 . 1 1 52 52 TYR CE1 C 13 118.793 0.300 . 1 . . . A 52 TYR CE1 . 19147 1 616 . 1 1 52 52 TYR N N 15 123.645 0.300 . 1 . . . A 52 TYR N . 19147 1 617 . 1 1 53 53 HIS H H 1 5.918 0.020 . 1 . . . A 53 HIS H . 19147 1 618 . 1 1 53 53 HIS HA H 1 4.673 0.020 . 1 . . . A 53 HIS HA . 19147 1 619 . 1 1 53 53 HIS HB2 H 1 2.976 0.020 . 2 . . . A 53 HIS HB2 . 19147 1 620 . 1 1 53 53 HIS HB3 H 1 2.913 0.020 . 2 . . . A 53 HIS HB3 . 19147 1 621 . 1 1 53 53 HIS HD2 H 1 6.745 0.020 . 1 . . . A 53 HIS HD2 . 19147 1 622 . 1 1 53 53 HIS HE1 H 1 7.881 0.020 . 1 . . . A 53 HIS HE1 . 19147 1 623 . 1 1 53 53 HIS C C 13 173.360 0.300 . 1 . . . A 53 HIS C . 19147 1 624 . 1 1 53 53 HIS CA C 13 51.116 0.300 . 1 . . . A 53 HIS CA . 19147 1 625 . 1 1 53 53 HIS CB C 13 29.297 0.300 . 1 . . . A 53 HIS CB . 19147 1 626 . 1 1 53 53 HIS CD2 C 13 127.677 0.300 . 1 . . . A 53 HIS CD2 . 19147 1 627 . 1 1 53 53 HIS CE1 C 13 140.771 0.300 . 1 . . . A 53 HIS CE1 . 19147 1 628 . 1 1 53 53 HIS N N 15 123.135 0.300 . 1 . . . A 53 HIS N . 19147 1 629 . 1 1 54 54 THR H H 1 7.632 0.020 . 1 . . . A 54 THR H . 19147 1 630 . 1 1 54 54 THR HA H 1 3.786 0.020 . 1 . . . A 54 THR HA . 19147 1 631 . 1 1 54 54 THR HB H 1 4.248 0.020 . 1 . . . A 54 THR HB . 19147 1 632 . 1 1 54 54 THR HG21 H 1 1.160 0.020 . 1 . . . A 54 THR HG21 . 19147 1 633 . 1 1 54 54 THR HG22 H 1 1.160 0.020 . 1 . . . A 54 THR HG22 . 19147 1 634 . 1 1 54 54 THR HG23 H 1 1.160 0.020 . 1 . . . A 54 THR HG23 . 19147 1 635 . 1 1 54 54 THR C C 13 175.778 0.300 . 1 . . . A 54 THR C . 19147 1 636 . 1 1 54 54 THR CA C 13 62.088 0.300 . 1 . . . A 54 THR CA . 19147 1 637 . 1 1 54 54 THR CB C 13 68.634 0.300 . 1 . . . A 54 THR CB . 19147 1 638 . 1 1 54 54 THR CG2 C 13 21.417 0.300 . 1 . . . A 54 THR CG2 . 19147 1 639 . 1 1 54 54 THR N N 15 110.786 0.300 . 1 . . . A 54 THR N . 19147 1 640 . 1 1 55 55 THR H H 1 7.746 0.020 . 1 . . . A 55 THR H . 19147 1 641 . 1 1 55 55 THR HA H 1 4.656 0.020 . 1 . . . A 55 THR HA . 19147 1 642 . 1 1 55 55 THR HB H 1 4.362 0.020 . 1 . . . A 55 THR HB . 19147 1 643 . 1 1 55 55 THR HG21 H 1 1.170 0.020 . 1 . . . A 55 THR HG21 . 19147 1 644 . 1 1 55 55 THR HG22 H 1 1.170 0.020 . 1 . . . A 55 THR HG22 . 19147 1 645 . 1 1 55 55 THR HG23 H 1 1.170 0.020 . 1 . . . A 55 THR HG23 . 19147 1 646 . 1 1 55 55 THR C C 13 175.209 0.300 . 1 . . . A 55 THR C . 19147 1 647 . 1 1 55 55 THR CA C 13 60.909 0.300 . 1 . . . A 55 THR CA . 19147 1 648 . 1 1 55 55 THR CB C 13 68.720 0.300 . 1 . . . A 55 THR CB . 19147 1 649 . 1 1 55 55 THR CG2 C 13 21.744 0.300 . 1 . . . A 55 THR CG2 . 19147 1 650 . 1 1 55 55 THR N N 15 113.157 0.300 . 1 . . . A 55 THR N . 19147 1 651 . 1 1 56 56 LYS H H 1 8.344 0.020 . 1 . . . A 56 LYS H . 19147 1 652 . 1 1 56 56 LYS HA H 1 4.247 0.020 . 1 . . . A 56 LYS HA . 19147 1 653 . 1 1 56 56 LYS HB2 H 1 1.789 0.020 . 2 . . . A 56 LYS HB2 . 19147 1 654 . 1 1 56 56 LYS HB3 H 1 1.789 0.020 . 2 . . . A 56 LYS HB3 . 19147 1 655 . 1 1 56 56 LYS HG2 H 1 1.401 0.020 . 2 . . . A 56 LYS HG2 . 19147 1 656 . 1 1 56 56 LYS HG3 H 1 1.401 0.020 . 2 . . . A 56 LYS HG3 . 19147 1 657 . 1 1 56 56 LYS HD2 H 1 1.528 0.020 . 2 . . . A 56 LYS HD2 . 19147 1 658 . 1 1 56 56 LYS HD3 H 1 1.528 0.020 . 2 . . . A 56 LYS HD3 . 19147 1 659 . 1 1 56 56 LYS HE2 H 1 2.797 0.020 . 2 . . . A 56 LYS HE2 . 19147 1 660 . 1 1 56 56 LYS HE3 H 1 2.797 0.020 . 2 . . . A 56 LYS HE3 . 19147 1 661 . 1 1 56 56 LYS C C 13 176.726 0.300 . 1 . . . A 56 LYS C . 19147 1 662 . 1 1 56 56 LYS CA C 13 56.714 0.300 . 1 . . . A 56 LYS CA . 19147 1 663 . 1 1 56 56 LYS CB C 13 32.279 0.300 . 1 . . . A 56 LYS CB . 19147 1 664 . 1 1 56 56 LYS CG C 13 24.311 0.300 . 1 . . . A 56 LYS CG . 19147 1 665 . 1 1 56 56 LYS CD C 13 28.653 0.300 . 1 . . . A 56 LYS CD . 19147 1 666 . 1 1 56 56 LYS CE C 13 41.355 0.300 . 1 . . . A 56 LYS CE . 19147 1 667 . 1 1 56 56 LYS N N 15 122.548 0.300 . 1 . . . A 56 LYS N . 19147 1 668 . 1 1 57 57 ASP H H 1 8.201 0.020 . 1 . . . A 57 ASP H . 19147 1 669 . 1 1 57 57 ASP HA H 1 4.684 0.020 . 1 . . . A 57 ASP HA . 19147 1 670 . 1 1 57 57 ASP HB2 H 1 2.585 0.020 . 2 . . . A 57 ASP HB2 . 19147 1 671 . 1 1 57 57 ASP HB3 H 1 2.462 0.020 . 2 . . . A 57 ASP HB3 . 19147 1 672 . 1 1 57 57 ASP C C 13 176.323 0.300 . 1 . . . A 57 ASP C . 19147 1 673 . 1 1 57 57 ASP CA C 13 53.331 0.300 . 1 . . . A 57 ASP CA . 19147 1 674 . 1 1 57 57 ASP CB C 13 41.168 0.300 . 1 . . . A 57 ASP CB . 19147 1 675 . 1 1 57 57 ASP N N 15 119.260 0.300 . 1 . . . A 57 ASP N . 19147 1 676 . 1 1 58 58 CYS H H 1 8.196 0.020 . 1 . . . A 58 CYS H . 19147 1 677 . 1 1 58 58 CYS HA H 1 3.633 0.020 . 1 . . . A 58 CYS HA . 19147 1 678 . 1 1 58 58 CYS HB2 H 1 2.704 0.020 . 2 . . . A 58 CYS HB2 . 19147 1 679 . 1 1 58 58 CYS HB3 H 1 2.639 0.020 . 2 . . . A 58 CYS HB3 . 19147 1 680 . 1 1 58 58 CYS C C 13 176.086 0.300 . 1 . . . A 58 CYS C . 19147 1 681 . 1 1 58 58 CYS CA C 13 59.671 0.300 . 1 . . . A 58 CYS CA . 19147 1 682 . 1 1 58 58 CYS CB C 13 30.620 0.300 . 1 . . . A 58 CYS CB . 19147 1 683 . 1 1 58 58 CYS N N 15 122.633 0.300 . 1 . . . A 58 CYS N . 19147 1 684 . 1 1 59 59 SER H H 1 8.293 0.020 . 1 . . . . 59 SER H . 19147 1 685 . 1 1 59 59 SER HA H 1 4.250 0.020 . 1 . . . . 59 SER HA . 19147 1 686 . 1 1 59 59 SER HB2 H 1 3.759 0.020 . 2 . . . . 59 SER QB . 19147 1 687 . 1 1 59 59 SER HB3 H 1 3.759 0.020 . 2 . . . . 59 SER QB . 19147 1 688 . 1 1 59 59 SER C C 13 174.356 0.300 . 1 . . . . 59 SER C . 19147 1 689 . 1 1 59 59 SER CA C 13 58.168 0.300 . 1 . . . . 59 SER CA . 19147 1 690 . 1 1 59 59 SER CB C 13 63.177 0.300 . 1 . . . . 59 SER CB . 19147 1 691 . 1 1 59 59 SER N N 15 115.879 0.300 . 1 . . . . 59 SER N . 19147 1 692 . 1 1 60 60 ASP H H 1 8.086 0.020 . 1 . . . . 60 ASP H . 19147 1 693 . 1 1 60 60 ASP HA H 1 4.433 0.020 . 1 . . . . 60 ASP HA . 19147 1 694 . 1 1 60 60 ASP HB2 H 1 2.600 0.020 . 2 . . . . 60 ASP QB . 19147 1 695 . 1 1 60 60 ASP HB3 H 1 2.600 0.020 . 2 . . . . 60 ASP QB . 19147 1 696 . 1 1 60 60 ASP C C 13 177.176 0.300 . 1 . . . . 60 ASP C . 19147 1 697 . 1 1 60 60 ASP CA C 13 54.262 0.300 . 1 . . . . 60 ASP CA . 19147 1 698 . 1 1 60 60 ASP CB C 13 40.840 0.300 . 1 . . . . 60 ASP CB . 19147 1 699 . 1 1 60 60 ASP N N 15 122.154 0.300 . 1 . . . . 60 ASP N . 19147 1 700 . 1 1 61 61 GLY H H 1 8.323 0.020 . 1 . . . . 61 GLY H . 19147 1 701 . 1 1 61 61 GLY HA2 H 1 3.805 0.020 . 2 . . . . 61 GLY QA . 19147 1 702 . 1 1 61 61 GLY HA3 H 1 3.805 0.020 . 2 . . . . 61 GLY QA . 19147 1 703 . 1 1 61 61 GLY C C 13 174.830 0.300 . 1 . . . . 61 GLY C . 19147 1 704 . 1 1 61 61 GLY CA C 13 45.597 0.300 . 1 . . . . 61 GLY CA . 19147 1 705 . 1 1 61 61 GLY N N 15 109.614 0.300 . 1 . . . . 61 GLY N . 19147 1 706 . 1 1 62 62 LYS H H 1 8.014 0.020 . 1 . . . . 62 LYS H . 19147 1 707 . 1 1 62 62 LYS HA H 1 4.156 0.020 . 1 . . . . 62 LYS HA . 19147 1 708 . 1 1 62 62 LYS HB2 H 1 1.744 0.020 . 2 . . . . 62 LYS QB . 19147 1 709 . 1 1 62 62 LYS HB3 H 1 1.744 0.020 . 2 . . . . 62 LYS QB . 19147 1 710 . 1 1 62 62 LYS HG2 H 1 1.346 0.020 . 2 . . . . 62 LYS QG . 19147 1 711 . 1 1 62 62 LYS HG3 H 1 1.346 0.020 . 2 . . . . 62 LYS QG . 19147 1 712 . 1 1 62 62 LYS HD2 H 1 1.590 0.020 . 2 . . . . 62 LYS QD . 19147 1 713 . 1 1 62 62 LYS HD3 H 1 1.590 0.020 . 2 . . . . 62 LYS QD . 19147 1 714 . 1 1 62 62 LYS HE2 H 1 2.900 0.020 . 2 . . . . 62 LYS QE . 19147 1 715 . 1 1 62 62 LYS HE3 H 1 2.900 0.020 . 2 . . . . 62 LYS QE . 19147 1 716 . 1 1 62 62 LYS C C 13 177.010 0.300 . 1 . . . . 62 LYS C . 19147 1 717 . 1 1 62 62 LYS CA C 13 56.560 0.300 . 1 . . . . 62 LYS CA . 19147 1 718 . 1 1 62 62 LYS CB C 13 32.351 0.300 . 1 . . . . 62 LYS CB . 19147 1 719 . 1 1 62 62 LYS CG C 13 24.157 0.300 . 1 . . . . 62 LYS CG . 19147 1 720 . 1 1 62 62 LYS CD C 13 28.420 0.300 . 1 . . . . 62 LYS CD . 19147 1 721 . 1 1 62 62 LYS CE C 13 41.487 0.300 . 1 . . . . 62 LYS CE . 19147 1 722 . 1 1 62 62 LYS N N 15 120.306 0.300 . 1 . . . . 62 LYS N . 19147 1 723 . 1 1 63 63 LEU H H 1 8.012 0.020 . 1 . . . . 63 LEU H . 19147 1 724 . 1 1 63 63 LEU HA H 1 4.212 0.020 . 1 . . . . 63 LEU HA . 19147 1 725 . 1 1 63 63 LEU HB2 H 1 1.496 0.020 . 2 . . . . 63 LEU QB . 19147 1 726 . 1 1 63 63 LEU HB3 H 1 1.496 0.020 . 2 . . . . 63 LEU QB . 19147 1 727 . 1 1 63 63 LEU HG H 1 1.527 0.020 . 1 . . . . 63 LEU HG . 19147 1 728 . 1 1 63 63 LEU HD11 H 1 0.826 0.020 . 2 . . . . 63 LEU QQD . 19147 1 729 . 1 1 63 63 LEU HD12 H 1 0.826 0.020 . 2 . . . . 63 LEU QQD . 19147 1 730 . 1 1 63 63 LEU HD13 H 1 0.826 0.020 . 2 . . . . 63 LEU QQD . 19147 1 731 . 1 1 63 63 LEU HD21 H 1 0.826 0.020 . 2 . . . . 63 LEU QQD . 19147 1 732 . 1 1 63 63 LEU HD22 H 1 0.826 0.020 . 2 . . . . 63 LEU QQD . 19147 1 733 . 1 1 63 63 LEU HD23 H 1 0.826 0.020 . 2 . . . . 63 LEU QQD . 19147 1 734 . 1 1 63 63 LEU C C 13 177.461 0.300 . 1 . . . . 63 LEU C . 19147 1 735 . 1 1 63 63 LEU CA C 13 55.168 0.300 . 1 . . . . 63 LEU CA . 19147 1 736 . 1 1 63 63 LEU CB C 13 41.675 0.300 . 1 . . . . 63 LEU CB . 19147 1 737 . 1 1 63 63 LEU CG C 13 26.473 0.300 . 1 . . . . 63 LEU CG . 19147 1 738 . 1 1 63 63 LEU CD1 C 13 24.200 0.300 . 1 . . . . 63 LEU CD1 . 19147 1 739 . 1 1 63 63 LEU N N 15 121.439 0.300 . 1 . . . . 63 LEU N . 19147 1 740 . 1 1 64 64 LEU H H 1 7.988 0.020 . 1 . . . . 64 LEU H . 19147 1 741 . 1 1 64 64 LEU HA H 1 4.243 0.020 . 1 . . . . 64 LEU HA . 19147 1 742 . 1 1 64 64 LEU HB2 H 1 1.572 0.020 . 2 . . . . 64 LEU QB . 19147 1 743 . 1 1 64 64 LEU HB3 H 1 1.572 0.020 . 2 . . . . 64 LEU QB . 19147 1 744 . 1 1 64 64 LEU HG H 1 1.500 0.020 . 1 . . . . 64 LEU HG . 19147 1 745 . 1 1 64 64 LEU HD11 H 1 0.815 0.020 . 2 . . . . 64 LEU QQD . 19147 1 746 . 1 1 64 64 LEU HD12 H 1 0.815 0.020 . 2 . . . . 64 LEU QQD . 19147 1 747 . 1 1 64 64 LEU HD13 H 1 0.815 0.020 . 2 . . . . 64 LEU QQD . 19147 1 748 . 1 1 64 64 LEU HD21 H 1 0.815 0.020 . 2 . . . . 64 LEU QQD . 19147 1 749 . 1 1 64 64 LEU HD22 H 1 0.815 0.020 . 2 . . . . 64 LEU QQD . 19147 1 750 . 1 1 64 64 LEU HD23 H 1 0.815 0.020 . 2 . . . . 64 LEU QQD . 19147 1 751 . 1 1 64 64 LEU C C 13 177.176 0.300 . 1 . . . . 64 LEU C . 19147 1 752 . 1 1 64 64 LEU CA C 13 54.840 0.300 . 1 . . . . 64 LEU CA . 19147 1 753 . 1 1 64 64 LEU CB C 13 41.681 0.300 . 1 . . . . 64 LEU CB . 19147 1 754 . 1 1 64 64 LEU CG C 13 26.411 0.300 . 1 . . . . 64 LEU CG . 19147 1 755 . 1 1 64 64 LEU CD1 C 13 24.753 0.300 . 1 . . . . 64 LEU CD1 . 19147 1 756 . 1 1 64 64 LEU N N 15 122.593 0.300 . 1 . . . . 64 LEU N . 19147 1 757 . 1 1 65 65 LYS H H 1 8.270 0.020 . 1 . . . . 65 LYS H . 19147 1 758 . 1 1 65 65 LYS HA H 1 4.226 0.020 . 1 . . . . 65 LYS HA . 19147 1 759 . 1 1 65 65 LYS HB2 H 1 1.635 0.020 . 2 . . . . 65 LYS QB . 19147 1 760 . 1 1 65 65 LYS HB3 H 1 1.635 0.020 . 2 . . . . 65 LYS QB . 19147 1 761 . 1 1 65 65 LYS HG2 H 1 1.376 0.020 . 2 . . . . 65 LYS QG . 19147 1 762 . 1 1 65 65 LYS HG3 H 1 1.376 0.020 . 2 . . . . 65 LYS QG . 19147 1 763 . 1 1 65 65 LYS HD2 H 1 1.721 0.020 . 2 . . . . 65 LYS QD . 19147 1 764 . 1 1 65 65 LYS HD3 H 1 1.721 0.020 . 2 . . . . 65 LYS QD . 19147 1 765 . 1 1 65 65 LYS HE2 H 1 2.913 0.020 . 2 . . . . 65 LYS QE . 19147 1 766 . 1 1 65 65 LYS HE3 H 1 2.913 0.020 . 2 . . . . 65 LYS QE . 19147 1 767 . 1 1 65 65 LYS C C 13 176.489 0.300 . 1 . . . . 65 LYS C . 19147 1 768 . 1 1 65 65 LYS CA C 13 55.965 0.300 . 1 . . . . 65 LYS CA . 19147 1 769 . 1 1 65 65 LYS CB C 13 32.443 0.300 . 1 . . . . 65 LYS CB . 19147 1 770 . 1 1 65 65 LYS CG C 13 24.302 0.300 . 1 . . . . 65 LYS CG . 19147 1 771 . 1 1 65 65 LYS CD C 13 28.583 0.300 . 1 . . . . 65 LYS CD . 19147 1 772 . 1 1 65 65 LYS CE C 13 41.606 0.300 . 1 . . . . 65 LYS CE . 19147 1 773 . 1 1 65 65 LYS N N 15 122.764 0.300 . 1 . . . . 65 LYS N . 19147 1 774 . 1 1 66 66 ALA H H 1 8.184 0.020 . 1 . . . . 66 ALA H . 19147 1 775 . 1 1 66 66 ALA HA H 1 4.222 0.020 . 1 . . . . 66 ALA HA . 19147 1 776 . 1 1 66 66 ALA HB1 H 1 1.328 0.020 . 1 . . . . 66 ALA QB . 19147 1 777 . 1 1 66 66 ALA HB2 H 1 1.328 0.020 . 1 . . . . 66 ALA QB . 19147 1 778 . 1 1 66 66 ALA HB3 H 1 1.328 0.020 . 1 . . . . 66 ALA QB . 19147 1 779 . 1 1 66 66 ALA C C 13 177.959 0.300 . 1 . . . . 66 ALA C . 19147 1 780 . 1 1 66 66 ALA CA C 13 52.199 0.300 . 1 . . . . 66 ALA CA . 19147 1 781 . 1 1 66 66 ALA CB C 13 18.837 0.300 . 1 . . . . 66 ALA CB . 19147 1 782 . 1 1 66 66 ALA N N 15 124.736 0.300 . 1 . . . . 66 ALA N . 19147 1 783 . 1 1 67 67 SER H H 1 8.201 0.020 . 1 . . . . 67 SER H . 19147 1 784 . 1 1 67 67 SER HA H 1 4.377 0.020 . 1 . . . . 67 SER HA . 19147 1 785 . 1 1 67 67 SER HB2 H 1 3.754 0.020 . 2 . . . . 67 SER QB . 19147 1 786 . 1 1 67 67 SER HB3 H 1 3.754 0.020 . 2 . . . . 67 SER QB . 19147 1 787 . 1 1 67 67 SER C C 13 177.129 0.300 . 1 . . . . 67 SER C . 19147 1 788 . 1 1 67 67 SER CA C 13 58.266 0.300 . 1 . . . . 67 SER CA . 19147 1 789 . 1 1 67 67 SER CB C 13 63.615 0.300 . 1 . . . . 67 SER CB . 19147 1 790 . 1 1 67 67 SER N N 15 114.679 0.300 . 1 . . . . 67 SER N . 19147 1 791 . 1 1 68 68 CYS H H 1 8.195 0.020 . 1 . . . . 68 CYS H . 19147 1 792 . 1 1 68 68 CYS HA H 1 4.432 0.020 . 1 . . . . 68 CYS HA . 19147 1 793 . 1 1 68 68 CYS HB2 H 1 2.856 0.020 . 2 . . . . 68 CYS QB . 19147 1 794 . 1 1 68 68 CYS HB3 H 1 2.856 0.020 . 2 . . . . 68 CYS QB . 19147 1 795 . 1 1 68 68 CYS C C 13 174.427 0.300 . 1 . . . . 68 CYS C . 19147 1 796 . 1 1 68 68 CYS CA C 13 58.153 0.300 . 1 . . . . 68 CYS CA . 19147 1 797 . 1 1 68 68 CYS CB C 13 27.648 0.300 . 1 . . . . 68 CYS CB . 19147 1 798 . 1 1 68 68 CYS N N 15 121.407 0.300 . 1 . . . . 68 CYS N . 19147 1 799 . 1 1 69 69 LYS H H 1 8.302 0.020 . 1 . . . . 69 LYS H . 19147 1 800 . 1 1 69 69 LYS HA H 1 4.268 0.020 . 1 . . . . 69 LYS HA . 19147 1 801 . 1 1 69 69 LYS HB2 H 1 1.621 0.020 . 2 . . . . 69 LYS QB . 19147 1 802 . 1 1 69 69 LYS HB3 H 1 1.621 0.020 . 2 . . . . 69 LYS QB . 19147 1 803 . 1 1 69 69 LYS HG2 H 1 1.325 0.020 . 2 . . . . 69 LYS QG . 19147 1 804 . 1 1 69 69 LYS HG3 H 1 1.325 0.020 . 2 . . . . 69 LYS QG . 19147 1 805 . 1 1 69 69 LYS HD2 H 1 1.726 0.020 . 2 . . . . 69 LYS QD . 19147 1 806 . 1 1 69 69 LYS HD3 H 1 1.726 0.020 . 2 . . . . 69 LYS QD . 19147 1 807 . 1 1 69 69 LYS HE2 H 1 2.921 0.020 . 2 . . . . 69 LYS QE . 19147 1 808 . 1 1 69 69 LYS HE3 H 1 2.921 0.020 . 2 . . . . 69 LYS QE . 19147 1 809 . 1 1 69 69 LYS C C 13 176.821 0.300 . 1 . . . . 69 LYS C . 19147 1 810 . 1 1 69 69 LYS CA C 13 56.059 0.300 . 1 . . . . 69 LYS CA . 19147 1 811 . 1 1 69 69 LYS CB C 13 32.494 0.300 . 1 . . . . 69 LYS CB . 19147 1 812 . 1 1 69 69 LYS CG C 13 24.242 0.300 . 1 . . . . 69 LYS CG . 19147 1 813 . 1 1 69 69 LYS CD C 13 28.583 0.300 . 1 . . . . 69 LYS CD . 19147 1 814 . 1 1 69 69 LYS CE C 13 41.666 0.300 . 1 . . . . 69 LYS CE . 19147 1 815 . 1 1 69 69 LYS N N 15 123.832 0.300 . 1 . . . . 69 LYS N . 19147 1 816 . 1 1 70 70 ILE H H 1 8.080 0.020 . 1 . . . . 70 ILE H . 19147 1 817 . 1 1 70 70 ILE HA H 1 4.122 0.020 . 1 . . . . 70 ILE HA . 19147 1 818 . 1 1 70 70 ILE HB H 1 1.778 0.020 . 1 . . . . 70 ILE HB . 19147 1 819 . 1 1 70 70 ILE HG12 H 1 1.397 0.020 . 2 . . . . 70 ILE HG12 . 19147 1 820 . 1 1 70 70 ILE HG13 H 1 1.094 0.020 . 2 . . . . 70 ILE HG13 . 19147 1 821 . 1 1 70 70 ILE HG21 H 1 0.839 0.020 . 1 . . . . 70 ILE QG2 . 19147 1 822 . 1 1 70 70 ILE HG22 H 1 0.839 0.020 . 1 . . . . 70 ILE QG2 . 19147 1 823 . 1 1 70 70 ILE HG23 H 1 0.839 0.020 . 1 . . . . 70 ILE QG2 . 19147 1 824 . 1 1 70 70 ILE HD11 H 1 0.766 0.020 . 1 . . . . 70 ILE QD1 . 19147 1 825 . 1 1 70 70 ILE HD12 H 1 0.766 0.020 . 1 . . . . 70 ILE QD1 . 19147 1 826 . 1 1 70 70 ILE HD13 H 1 0.766 0.020 . 1 . . . . 70 ILE QD1 . 19147 1 827 . 1 1 70 70 ILE C C 13 176.299 0.300 . 1 . . . . 70 ILE C . 19147 1 828 . 1 1 70 70 ILE CA C 13 60.619 0.300 . 1 . . . . 70 ILE CA . 19147 1 829 . 1 1 70 70 ILE CB C 13 38.407 0.300 . 1 . . . . 70 ILE CB . 19147 1 830 . 1 1 70 70 ILE CG1 C 13 26.513 0.300 . 11 . . . . 70 ILE CG1 . 19147 1 831 . 1 1 70 70 ILE CG2 C 13 17.046 0.300 . 1 . . . . 70 ILE CG2 . 19147 1 832 . 1 1 70 70 ILE CD1 C 13 12.431 0.300 . 1 . . . . 70 ILE CD1 . 19147 1 833 . 1 1 70 70 ILE N N 15 122.258 0.300 . 1 . . . . 70 ILE N . 19147 1 834 . 1 1 71 71 GLY H H 1 8.214 0.020 . 1 . . . . 71 GLY H . 19147 1 835 . 1 1 71 71 GLY HA2 H 1 4.077 0.020 . 1 . . . . 71 GLY HA2 . 19147 1 836 . 1 1 71 71 GLY HA3 H 1 3.926 0.020 . 1 . . . . 71 GLY HA3 . 19147 1 837 . 1 1 71 71 GLY CA C 13 43.952 0.300 . 1 . . . . 71 GLY CA . 19147 1 838 . 1 1 71 71 GLY N N 15 113.226 0.300 . 1 . . . . 71 GLY N . 19147 1 839 . 1 1 72 72 PRO HA H 1 4.334 0.020 . 1 . . . . 72 PRO HA . 19147 1 840 . 1 1 72 72 PRO HB2 H 1 2.154 0.020 . 2 . . . . 72 PRO HB2 . 19147 1 841 . 1 1 72 72 PRO HB3 H 1 1.794 0.020 . 2 . . . . 72 PRO HB3 . 19147 1 842 . 1 1 72 72 PRO HG2 H 1 1.896 0.020 . 2 . . . . 72 PRO QG . 19147 1 843 . 1 1 72 72 PRO HG3 H 1 1.896 0.020 . 2 . . . . 72 PRO QG . 19147 1 844 . 1 1 72 72 PRO HD2 H 1 3.527 0.020 . 2 . . . . 72 PRO QD . 19147 1 845 . 1 1 72 72 PRO HD3 H 1 3.527 0.020 . 2 . . . . 72 PRO QD . 19147 1 846 . 1 1 72 72 PRO CA C 13 62.334 0.300 . 1 . . . . 72 PRO CA . 19147 1 847 . 1 1 72 72 PRO CB C 13 31.687 0.300 . 1 . . . . 72 PRO CB . 19147 1 848 . 1 1 72 72 PRO CG C 13 26.597 0.300 . 1 . . . . 72 PRO CG . 19147 1 849 . 1 1 72 72 PRO CD C 13 49.324 0.300 . 1 . . . . 72 PRO CD . 19147 1 850 . 1 1 73 73 LEU H H 1 8.324 0.020 . 1 . . . . 73 LEU H . 19147 1 851 . 1 1 73 73 LEU HA H 1 4.495 0.020 . 1 . . . . 73 LEU HA . 19147 1 852 . 1 1 73 73 LEU HB2 H 1 1.524 0.020 . 2 . . . . 73 LEU HB2 . 19147 1 853 . 1 1 73 73 LEU HB3 H 1 1.476 0.020 . 2 . . . . 73 LEU HB3 . 19147 1 854 . 1 1 73 73 LEU HG H 1 1.567 0.020 . 1 . . . . 73 LEU HG . 19147 1 855 . 1 1 73 73 LEU HD11 H 1 0.872 0.020 . 2 . . . . 73 LEU QD1 . 19147 1 856 . 1 1 73 73 LEU HD12 H 1 0.872 0.020 . 2 . . . . 73 LEU QD1 . 19147 1 857 . 1 1 73 73 LEU HD13 H 1 0.872 0.020 . 2 . . . . 73 LEU QD1 . 19147 1 858 . 1 1 73 73 LEU HD21 H 1 0.834 0.020 . 2 . . . . 73 LEU QD2 . 19147 1 859 . 1 1 73 73 LEU HD22 H 1 0.834 0.020 . 2 . . . . 73 LEU QD2 . 19147 1 860 . 1 1 73 73 LEU HD23 H 1 0.834 0.020 . 2 . . . . 73 LEU QD2 . 19147 1 861 . 1 1 73 73 LEU CA C 13 52.740 0.300 . 1 . . . . 73 LEU CA . 19147 1 862 . 1 1 73 73 LEU CB C 13 41.166 0.300 . 1 . . . . 73 LEU CB . 19147 1 863 . 1 1 73 73 LEU CG C 13 26.406 0.300 . 1 . . . . 73 LEU CG . 19147 1 864 . 1 1 73 73 LEU CD1 C 13 24.801 0.300 . 3 . . . . 73 LEU CD1 . 19147 1 865 . 1 1 73 73 LEU CD2 C 13 22.586 0.300 . 3 . . . . 73 LEU CD2 . 19147 1 866 . 1 1 73 73 LEU N N 15 123.760 0.300 . 1 . . . . 73 LEU N . 19147 1 867 . 1 1 74 74 PRO HA H 1 4.329 0.020 . 1 . . . . 74 PRO HA . 19147 1 868 . 1 1 74 74 PRO HB2 H 1 2.231 0.020 . 2 . . . . 74 PRO HB2 . 19147 1 869 . 1 1 74 74 PRO HB3 H 1 1.845 0.020 . 2 . . . . 74 PRO HB3 . 19147 1 870 . 1 1 74 74 PRO HG2 H 1 1.961 0.020 . 2 . . . . 74 PRO QG . 19147 1 871 . 1 1 74 74 PRO HG3 H 1 1.961 0.020 . 2 . . . . 74 PRO QG . 19147 1 872 . 1 1 74 74 PRO HD2 H 1 3.772 0.020 . 2 . . . . 74 PRO HD2 . 19147 1 873 . 1 1 74 74 PRO HD3 H 1 3.576 0.020 . 2 . . . . 74 PRO HD3 . 19147 1 874 . 1 1 74 74 PRO CA C 13 63.078 0.300 . 1 . . . . 74 PRO CA . 19147 1 875 . 1 1 74 74 PRO CB C 13 31.672 0.300 . 1 . . . . 74 PRO CB . 19147 1 876 . 1 1 74 74 PRO CG C 13 26.979 0.300 . 1 . . . . 74 PRO CG . 19147 1 877 . 1 1 74 74 PRO CD C 13 50.145 0.300 . 1 . . . . 74 PRO CD . 19147 1 878 . 1 1 75 75 GLY H H 1 8.431 0.020 . 1 . . . . 75 GLY H . 19147 1 879 . 1 1 75 75 GLY HA2 H 1 3.908 0.020 . 2 . . . . 75 GLY QA . 19147 1 880 . 1 1 75 75 GLY HA3 H 1 3.908 0.020 . 2 . . . . 75 GLY QA . 19147 1 881 . 1 1 75 75 GLY C C 13 174.545 0.300 . 1 . . . . 75 GLY C . 19147 1 882 . 1 1 75 75 GLY CA C 13 44.951 0.300 . 1 . . . . 75 GLY CA . 19147 1 883 . 1 1 75 75 GLY N N 15 109.007 0.300 . 1 . . . . 75 GLY N . 19147 1 884 . 1 1 76 76 THR H H 1 7.908 0.020 . 1 . . . . 76 THR H . 19147 1 885 . 1 1 76 76 THR HA H 1 4.197 0.020 . 1 . . . . 76 THR HA . 19147 1 886 . 1 1 76 76 THR HB H 1 4.089 0.020 . 1 . . . . 76 THR HB . 19147 1 887 . 1 1 76 76 THR HG21 H 1 1.118 0.020 . 1 . . . . 76 THR QG2 . 19147 1 888 . 1 1 76 76 THR HG22 H 1 1.118 0.020 . 1 . . . . 76 THR QG2 . 19147 1 889 . 1 1 76 76 THR HG23 H 1 1.118 0.020 . 1 . . . . 76 THR QG2 . 19147 1 890 . 1 1 76 76 THR C C 13 174.759 0.300 . 1 . . . . 76 THR C . 19147 1 891 . 1 1 76 76 THR CA C 13 61.478 0.300 . 1 . . . . 76 THR CA . 19147 1 892 . 1 1 76 76 THR CB C 13 69.369 0.300 . 1 . . . . 76 THR CB . 19147 1 893 . 1 1 76 76 THR CG2 C 13 21.295 0.300 . 1 . . . . 76 THR CG2 . 19147 1 894 . 1 1 76 76 THR N N 15 113.511 0.300 . 1 . . . . 76 THR N . 19147 1 895 . 1 1 77 77 LYS H H 1 8.347 0.020 . 1 . . . . 77 LYS H . 19147 1 896 . 1 1 77 77 LYS HA H 1 4.209 0.020 . 1 . . . . 77 LYS HA . 19147 1 897 . 1 1 77 77 LYS HB2 H 1 1.643 0.020 . 2 . . . . 77 LYS QB . 19147 1 898 . 1 1 77 77 LYS HB3 H 1 1.643 0.020 . 2 . . . . 77 LYS QB . 19147 1 899 . 1 1 77 77 LYS HG2 H 1 1.360 0.020 . 2 . . . . 77 LYS QG . 19147 1 900 . 1 1 77 77 LYS HG3 H 1 1.360 0.020 . 2 . . . . 77 LYS QG . 19147 1 901 . 1 1 77 77 LYS HD2 H 1 1.709 0.020 . 2 . . . . 77 LYS QD . 19147 1 902 . 1 1 77 77 LYS HD3 H 1 1.709 0.020 . 2 . . . . 77 LYS QD . 19147 1 903 . 1 1 77 77 LYS HE2 H 1 2.920 0.020 . 2 . . . . 77 LYS QE . 19147 1 904 . 1 1 77 77 LYS HE3 H 1 2.920 0.020 . 2 . . . . 77 LYS QE . 19147 1 905 . 1 1 77 77 LYS C C 13 176.679 0.300 . 1 . . . . 77 LYS C . 19147 1 906 . 1 1 77 77 LYS CA C 13 56.052 0.300 . 1 . . . . 77 LYS CA . 19147 1 907 . 1 1 77 77 LYS CB C 13 32.529 0.300 . 1 . . . . 77 LYS CB . 19147 1 908 . 1 1 77 77 LYS CG C 13 24.242 0.300 . 1 . . . . 77 LYS CG . 19147 1 909 . 1 1 77 77 LYS CD C 13 28.643 0.300 . 1 . . . . 77 LYS CD . 19147 1 910 . 1 1 77 77 LYS CE C 13 41.666 0.300 . 1 . . . . 77 LYS CE . 19147 1 911 . 1 1 77 77 LYS N N 15 123.805 0.300 . 1 . . . . 77 LYS N . 19147 1 912 . 1 1 78 78 LYS H H 1 8.309 0.020 . 1 . . . . 78 LYS H . 19147 1 913 . 1 1 78 78 LYS HA H 1 4.241 0.020 . 1 . . . . 78 LYS HA . 19147 1 914 . 1 1 78 78 LYS HB2 H 1 1.638 0.020 . 2 . . . . 78 LYS QB . 19147 1 915 . 1 1 78 78 LYS HB3 H 1 1.638 0.020 . 2 . . . . 78 LYS QB . 19147 1 916 . 1 1 78 78 LYS HG2 H 1 1.401 0.020 . 2 . . . . 78 LYS QG . 19147 1 917 . 1 1 78 78 LYS HG3 H 1 1.401 0.020 . 2 . . . . 78 LYS QG . 19147 1 918 . 1 1 78 78 LYS HD2 H 1 1.714 0.020 . 2 . . . . 78 LYS QD . 19147 1 919 . 1 1 78 78 LYS HD3 H 1 1.714 0.020 . 2 . . . . 78 LYS QD . 19147 1 920 . 1 1 78 78 LYS HE2 H 1 2.880 0.020 . 2 . . . . 78 LYS QE . 19147 1 921 . 1 1 78 78 LYS HE3 H 1 2.880 0.020 . 2 . . . . 78 LYS QE . 19147 1 922 . 1 1 78 78 LYS C C 13 176.536 0.300 . 1 . . . . 78 LYS C . 19147 1 923 . 1 1 78 78 LYS CA C 13 56.195 0.300 . 1 . . . . 78 LYS CA . 19147 1 924 . 1 1 78 78 LYS CB C 13 32.826 0.300 . 1 . . . . 78 LYS CB . 19147 1 925 . 1 1 78 78 LYS CG C 13 24.193 0.300 . 1 . . . . 78 LYS CG . 19147 1 926 . 1 1 78 78 LYS CD C 13 28.342 0.300 . 1 . . . . 78 LYS CD . 19147 1 927 . 1 1 78 78 LYS CE C 13 41.666 0.300 . 1 . . . . 78 LYS CE . 19147 1 928 . 1 1 78 78 LYS N N 15 122.668 0.300 . 1 . . . . 78 LYS N . 19147 1 929 . 1 1 79 79 SER H H 1 8.268 0.020 . 1 . . . . 79 SER H . 19147 1 930 . 1 1 79 79 SER HA H 1 4.347 0.020 . 1 . . . . 79 SER HA . 19147 1 931 . 1 1 79 79 SER HB2 H 1 3.731 0.020 . 2 . . . . 79 SER QB . 19147 1 932 . 1 1 79 79 SER HB3 H 1 3.731 0.020 . 2 . . . . 79 SER QB . 19147 1 933 . 1 1 79 79 SER C C 13 177.034 0.300 . 1 . . . . 79 SER C . 19147 1 934 . 1 1 79 79 SER CA C 13 57.852 0.300 . 1 . . . . 79 SER CA . 19147 1 935 . 1 1 79 79 SER CB C 13 63.473 0.300 . 1 . . . . 79 SER CB . 19147 1 936 . 1 1 79 79 SER N N 15 117.303 0.300 . 1 . . . . 79 SER N . 19147 1 937 . 1 1 80 80 LYS H H 1 8.324 0.020 . 1 . . . . 80 LYS H . 19147 1 938 . 1 1 80 80 LYS HA H 1 4.230 0.020 . 1 . . . . 80 LYS HA . 19147 1 939 . 1 1 80 80 LYS HB2 H 1 1.641 0.020 . 2 . . . . 80 LYS QB . 19147 1 940 . 1 1 80 80 LYS HB3 H 1 1.641 0.020 . 2 . . . . 80 LYS QB . 19147 1 941 . 1 1 80 80 LYS HG2 H 1 1.367 0.020 . 2 . . . . 80 LYS QG . 19147 1 942 . 1 1 80 80 LYS HG3 H 1 1.367 0.020 . 2 . . . . 80 LYS QG . 19147 1 943 . 1 1 80 80 LYS HD2 H 1 1.777 0.020 . 2 . . . . 80 LYS QD . 19147 1 944 . 1 1 80 80 LYS HD3 H 1 1.777 0.020 . 2 . . . . 80 LYS QD . 19147 1 945 . 1 1 80 80 LYS HE2 H 1 2.914 0.020 . 2 . . . . 80 LYS QE . 19147 1 946 . 1 1 80 80 LYS HE3 H 1 2.914 0.020 . 2 . . . . 80 LYS QE . 19147 1 947 . 1 1 80 80 LYS C C 13 176.607 0.300 . 1 . . . . 80 LYS C . 19147 1 948 . 1 1 80 80 LYS CA C 13 56.564 0.300 . 1 . . . . 80 LYS CA . 19147 1 949 . 1 1 80 80 LYS CB C 13 32.496 0.300 . 1 . . . . 80 LYS CB . 19147 1 950 . 1 1 80 80 LYS CG C 13 24.302 0.300 . 1 . . . . 80 LYS CG . 19147 1 951 . 1 1 80 80 LYS CD C 13 30.175 0.300 . 1 . . . . 80 LYS CD . 19147 1 952 . 1 1 80 80 LYS CE C 13 41.606 0.300 . 1 . . . . 80 LYS CE . 19147 1 953 . 1 1 80 80 LYS N N 15 123.959 0.300 . 1 . . . . 80 LYS N . 19147 1 954 . 1 1 81 81 LYS H H 1 8.217 0.020 . 1 . . . . 81 LYS H . 19147 1 955 . 1 1 81 81 LYS HA H 1 4.148 0.020 . 1 . . . . 81 LYS HA . 19147 1 956 . 1 1 81 81 LYS HB2 H 1 1.638 0.020 . 2 . . . . 81 LYS QB . 19147 1 957 . 1 1 81 81 LYS HB3 H 1 1.638 0.020 . 2 . . . . 81 LYS QB . 19147 1 958 . 1 1 81 81 LYS HG2 H 1 1.304 0.020 . 2 . . . . 81 LYS QG . 19147 1 959 . 1 1 81 81 LYS HG3 H 1 1.304 0.020 . 2 . . . . 81 LYS QG . 19147 1 960 . 1 1 81 81 LYS HD2 H 1 1.715 0.020 . 2 . . . . 81 LYS QD . 19147 1 961 . 1 1 81 81 LYS HD3 H 1 1.715 0.020 . 2 . . . . 81 LYS QD . 19147 1 962 . 1 1 81 81 LYS HE2 H 1 2.915 0.020 . 2 . . . . 81 LYS QE . 19147 1 963 . 1 1 81 81 LYS HE3 H 1 2.915 0.020 . 2 . . . . 81 LYS QE . 19147 1 964 . 1 1 81 81 LYS C C 13 176.276 0.300 . 1 . . . . 81 LYS C . 19147 1 965 . 1 1 81 81 LYS CA C 13 56.036 0.300 . 1 . . . . 81 LYS CA . 19147 1 966 . 1 1 81 81 LYS CB C 13 32.643 0.300 . 1 . . . . 81 LYS CB . 19147 1 967 . 1 1 81 81 LYS CG C 13 24.182 0.300 . 1 . . . . 81 LYS CG . 19147 1 968 . 1 1 81 81 LYS CD C 13 28.707 0.300 . 1 . . . . 81 LYS CD . 19147 1 969 . 1 1 81 81 LYS CE C 13 41.854 0.300 . 1 . . . . 81 LYS CE . 19147 1 970 . 1 1 81 81 LYS N N 15 121.975 0.300 . 1 . . . . 81 LYS N . 19147 1 971 . 1 1 82 82 ASN H H 1 8.372 0.020 . 1 . . . . 82 ASN H . 19147 1 972 . 1 1 82 82 ASN HA H 1 4.609 0.020 . 1 . . . . 82 ASN HA . 19147 1 973 . 1 1 82 82 ASN HB2 H 1 2.690 0.020 . 2 . . . . 82 ASN QB . 19147 1 974 . 1 1 82 82 ASN HB3 H 1 2.690 0.020 . 2 . . . . 82 ASN QB . 19147 1 975 . 1 1 82 82 ASN HD21 H 1 7.579 0.020 . 2 . . . . 82 ASN HD21 . 19147 1 976 . 1 1 82 82 ASN HD22 H 1 6.879 0.020 . 2 . . . . 82 ASN HD22 . 19147 1 977 . 1 1 82 82 ASN C C 13 174.996 0.300 . 1 . . . . 82 ASN C . 19147 1 978 . 1 1 82 82 ASN CA C 13 53.008 0.300 . 1 . . . . 82 ASN CA . 19147 1 979 . 1 1 82 82 ASN CB C 13 38.420 0.300 . 1 . . . . 82 ASN CB . 19147 1 980 . 1 1 82 82 ASN N N 15 119.696 0.300 . 1 . . . . 82 ASN N . 19147 1 981 . 1 1 82 82 ASN ND2 N 15 113.098 0.300 . 1 . . . . 82 ASN ND2 . 19147 1 982 . 1 1 83 83 LEU H H 1 8.115 0.020 . 1 . . . . 83 LEU H . 19147 1 983 . 1 1 83 83 LEU HA H 1 4.224 0.020 . 1 . . . . 83 LEU HA . 19147 1 984 . 1 1 83 83 LEU HB2 H 1 1.490 0.020 . 2 . . . . 83 LEU QB . 19147 1 985 . 1 1 83 83 LEU HB3 H 1 1.490 0.020 . 2 . . . . 83 LEU QB . 19147 1 986 . 1 1 83 83 LEU HG H 1 1.492 0.020 . 1 . . . . 83 LEU HG . 19147 1 987 . 1 1 83 83 LEU HD11 H 1 0.839 0.020 . 2 . . . . 83 LEU QQD . 19147 1 988 . 1 1 83 83 LEU HD12 H 1 0.839 0.020 . 2 . . . . 83 LEU QQD . 19147 1 989 . 1 1 83 83 LEU HD13 H 1 0.839 0.020 . 2 . . . . 83 LEU QQD . 19147 1 990 . 1 1 83 83 LEU HD21 H 1 0.839 0.020 . 2 . . . . 83 LEU QQD . 19147 1 991 . 1 1 83 83 LEU HD22 H 1 0.839 0.020 . 2 . . . . 83 LEU QQD . 19147 1 992 . 1 1 83 83 LEU HD23 H 1 0.839 0.020 . 2 . . . . 83 LEU QQD . 19147 1 993 . 1 1 83 83 LEU C C 13 177.153 0.300 . 1 . . . . 83 LEU C . 19147 1 994 . 1 1 83 83 LEU CA C 13 54.888 0.300 . 1 . . . . 83 LEU CA . 19147 1 995 . 1 1 83 83 LEU CB C 13 42.242 0.300 . 1 . . . . 83 LEU CB . 19147 1 996 . 1 1 83 83 LEU CG C 13 26.917 0.300 . 1 . . . . 83 LEU CG . 19147 1 997 . 1 1 83 83 LEU CD1 C 13 22.756 0.300 . 1 . . . . 83 LEU CD1 . 19147 1 998 . 1 1 83 83 LEU N N 15 122.869 0.300 . 1 . . . . 83 LEU N . 19147 1 999 . 1 1 84 84 ARG H H 1 8.180 0.020 . 1 . . . . 84 ARG H . 19147 1 1000 . 1 1 84 84 ARG HA H 1 4.230 0.020 . 1 . . . . 84 ARG HA . 19147 1 1001 . 1 1 84 84 ARG HB2 H 1 1.652 0.020 . 2 . . . . 84 ARG HB2 . 19147 1 1002 . 1 1 84 84 ARG HB3 H 1 1.463 0.020 . 2 . . . . 84 ARG HB3 . 19147 1 1003 . 1 1 84 84 ARG HG2 H 1 1.597 0.020 . 2 . . . . 84 ARG QG . 19147 1 1004 . 1 1 84 84 ARG HG3 H 1 1.597 0.020 . 2 . . . . 84 ARG QG . 19147 1 1005 . 1 1 84 84 ARG HD2 H 1 3.146 0.020 . 2 . . . . 84 ARG QD . 19147 1 1006 . 1 1 84 84 ARG HD3 H 1 3.146 0.020 . 2 . . . . 84 ARG QD . 19147 1 1007 . 1 1 84 84 ARG C C 13 175.802 0.300 . 1 . . . . 84 ARG C . 19147 1 1008 . 1 1 84 84 ARG CA C 13 55.545 0.300 . 1 . . . . 84 ARG CA . 19147 1 1009 . 1 1 84 84 ARG CB C 13 30.218 0.300 . 1 . . . . 84 ARG CB . 19147 1 1010 . 1 1 84 84 ARG CG C 13 24.604 0.300 . 1 . . . . 84 ARG CG . 19147 1 1011 . 1 1 84 84 ARG CD C 13 41.134 0.300 . 1 . . . . 84 ARG CD . 19147 1 1012 . 1 1 84 84 ARG N N 15 121.586 0.300 . 1 . . . . 84 ARG N . 19147 1 1013 . 1 1 85 85 ARG H H 1 8.250 0.020 . 1 . . . . 85 ARG H . 19147 1 1014 . 1 1 85 85 ARG HA H 1 4.217 0.020 . 1 . . . . 85 ARG HA . 19147 1 1015 . 1 1 85 85 ARG HB2 H 1 1.741 0.020 . 2 . . . . 85 ARG HB2 . 19147 1 1016 . 1 1 85 85 ARG HB3 H 1 1.678 0.020 . 2 . . . . 85 ARG HB3 . 19147 1 1017 . 1 1 85 85 ARG HG2 H 1 1.533 0.020 . 2 . . . . 85 ARG QG . 19147 1 1018 . 1 1 85 85 ARG HG3 H 1 1.533 0.020 . 2 . . . . 85 ARG QG . 19147 1 1019 . 1 1 85 85 ARG HD2 H 1 3.108 0.020 . 2 . . . . 85 ARG QD . 19147 1 1020 . 1 1 85 85 ARG HD3 H 1 3.108 0.020 . 2 . . . . 85 ARG QD . 19147 1 1021 . 1 1 85 85 ARG C C 13 175.091 0.300 . 1 . . . . 85 ARG C . 19147 1 1022 . 1 1 85 85 ARG CA C 13 55.611 0.300 . 1 . . . . 85 ARG CA . 19147 1 1023 . 1 1 85 85 ARG CB C 13 30.364 0.300 . 1 . . . . 85 ARG CB . 19147 1 1024 . 1 1 85 85 ARG CG C 13 26.962 0.300 . 1 . . . . 85 ARG CG . 19147 1 1025 . 1 1 85 85 ARG CD C 13 42.872 0.300 . 1 . . . . 85 ARG CD . 19147 1 1026 . 1 1 85 85 ARG N N 15 123.315 0.300 . 1 . . . . 85 ARG N . 19147 1 1027 . 1 1 86 86 LEU H H 1 7.862 0.020 . 1 . . . . 86 LEU H . 19147 1 1028 . 1 1 86 86 LEU HA H 1 4.094 0.020 . 1 . . . . 86 LEU HA . 19147 1 1029 . 1 1 86 86 LEU HB2 H 1 1.485 0.020 . 2 . . . . 86 LEU QB . 19147 1 1030 . 1 1 86 86 LEU HB3 H 1 1.485 0.020 . 2 . . . . 86 LEU QB . 19147 1 1031 . 1 1 86 86 LEU HG H 1 1.378 0.020 . 1 . . . . 86 LEU HG . 19147 1 1032 . 1 1 86 86 LEU HD11 H 1 0.861 0.020 . 2 . . . . 86 LEU QQD . 19147 1 1033 . 1 1 86 86 LEU HD12 H 1 0.861 0.020 . 2 . . . . 86 LEU QQD . 19147 1 1034 . 1 1 86 86 LEU HD13 H 1 0.861 0.020 . 2 . . . . 86 LEU QQD . 19147 1 1035 . 1 1 86 86 LEU HD21 H 1 0.861 0.020 . 2 . . . . 86 LEU QQD . 19147 1 1036 . 1 1 86 86 LEU HD22 H 1 0.861 0.020 . 2 . . . . 86 LEU QQD . 19147 1 1037 . 1 1 86 86 LEU HD23 H 1 0.861 0.020 . 2 . . . . 86 LEU QQD . 19147 1 1038 . 1 1 86 86 LEU CA C 13 56.494 0.300 . 1 . . . . 86 LEU CA . 19147 1 1039 . 1 1 86 86 LEU CB C 13 42.902 0.300 . 1 . . . . 86 LEU CB . 19147 1 1040 . 1 1 86 86 LEU CG C 13 26.780 0.300 . 1 . . . . 86 LEU CG . 19147 1 1041 . 1 1 86 86 LEU CD1 C 13 24.735 0.300 . 1 . . . . 86 LEU CD1 . 19147 1 1042 . 1 1 86 86 LEU N N 15 129.646 0.300 . 1 . . . . 86 LEU N . 19147 1 stop_ save_