data_18541 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18541 _Entry.Title ; NMR solution structure of midkine-b, mdkb ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2012-06-21 _Entry.Accession_date 2012-06-21 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'NMR, 10 STRUCTURES' _Entry.Details 'Independent half-domains enriched with disulfide bonds and separated by linker.' _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 Daiwen Yang . . . 18541 2 Jackwee Lim . . . 18541 3 Dan Meng . . . 18541 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' . 18541 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'beta sheet' . 18541 'disulfide bond' . 18541 'independent half-domain' . 18541 midkine . 18541 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18541 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 331 18541 '15N chemical shifts' 115 18541 '1H chemical shifts' 565 18541 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 . . 2013-04-18 2012-06-21 update BMRB 'update entry citation' 18541 1 . . 2013-04-02 2012-06-21 original author 'original release' 18541 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 18540 midkine-a 18541 PDB 1MKC 'C-half domain' 18541 PDB 1MKN 'N-half domain' 18541 PDB 2LUU 'BMRB Entry Tracking System' 18541 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 18541 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 23418741 _Citation.Full_citation . _Citation.Title 'Structure-function analysis of full-length midkine reveals novel residues important for heparin binding and zebrafish embryogenesis.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biochem. J.' _Citation.Journal_name_full 'The Biochemical journal' _Citation.Journal_volume 451 _Citation.Journal_issue 3 _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 407 _Citation.Page_last 415 _Citation.Year 2013 _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 Jackwee Lim . . . 18541 1 2 Sheng Yao . . . 18541 1 3 Martin Graf . . . 18541 1 4 Christoph Winkler . . . 18541 1 5 Daiwen Yang . . . 18541 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18541 _Assembly.ID 1 _Assembly.Name midkine-b _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 midkine-b 1 $midkine-b A . yes native no no . . . 18541 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 midkine-b 1 CYS 18 18 SG . 1 midkine-b 1 CYS 42 42 SG . midkine-b 18 CYS SG . midkine-b 42 CYS SG 18541 1 2 disulfide single . 1 midkine-b 1 CYS 26 26 SG . 1 midkine-b 1 CYS 51 51 SG . midkine-b 26 CYS SG . midkine-b 51 CYS SG 18541 1 3 disulfide single . 1 midkine-b 1 CYS 33 33 SG . 1 midkine-b 1 CYS 55 55 SG . midkine-b 33 CYS SG . midkine-b 55 CYS SG 18541 1 4 disulfide single . 1 midkine-b 1 CYS 65 65 SG . 1 midkine-b 1 CYS 97 97 SG . midkine-b 65 CYS SG . midkine-b 97 CYS SG 18541 1 5 disulfide single . 1 midkine-b 1 CYS 75 75 SG . 1 midkine-b 1 CYS 107 107 SG . midkine-b 75 CYS SG . midkine-b 107 CYS SG 18541 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_midkine-b _Entity.Sf_category entity _Entity.Sf_framecode midkine-b _Entity.Entry_ID 18541 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name midkine-b _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 ; GSMKKKEKGKEPKADAECSE WQYGKCVPNSGDCGNGIREA TCNEQTKKTKCKVPCNWKKD FGADCKYKFGRWAECDTTTG TRSRSGTLKKALFNAECQTT IKVSKPCTPKTPKPKGGEKK KGKGKEN ; _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 127 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 14021.246 _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 2LUU . "Nmr Solution Structure Of Midkine-b, Mdkb" . . . . . 100.00 127 100.00 100.00 5.35e-82 . . . . 18541 1 2 no GB AAD38156 . "pleiotrophin 2 [Danio rerio]" . . . . . 100.00 147 98.43 98.43 6.01e-82 . . . . 18541 1 3 no GB AAG27035 . "midkine-related growth factor Mdk2 [Danio rerio]" . . . . . 100.00 147 99.21 99.21 1.79e-82 . . . . 18541 1 4 no GB AAH59575 . "Midkine-related growth factor b [Danio rerio]" . . . . . 100.00 147 98.43 98.43 6.01e-82 . . . . 18541 1 5 no GB ABC67288 . "midkine b [Carassius gibelio]" . . . . . 100.00 147 97.64 98.43 4.38e-81 . . . . 18541 1 6 no GB AJG05944 . "Mdkb, partial [Danio rerio]" . . . . . 100.00 147 99.21 99.21 2.02e-82 . . . . 18541 1 7 no REF NP_571791 . "midkine b precursor [Danio rerio]" . . . . . 100.00 147 99.21 99.21 1.79e-82 . . . . 18541 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 . 18541 1 2 2 SER . 18541 1 3 3 MET . 18541 1 4 4 LYS . 18541 1 5 5 LYS . 18541 1 6 6 LYS . 18541 1 7 7 GLU . 18541 1 8 8 LYS . 18541 1 9 9 GLY . 18541 1 10 10 LYS . 18541 1 11 11 GLU . 18541 1 12 12 PRO . 18541 1 13 13 LYS . 18541 1 14 14 ALA . 18541 1 15 15 ASP . 18541 1 16 16 ALA . 18541 1 17 17 GLU . 18541 1 18 18 CYS . 18541 1 19 19 SER . 18541 1 20 20 GLU . 18541 1 21 21 TRP . 18541 1 22 22 GLN . 18541 1 23 23 TYR . 18541 1 24 24 GLY . 18541 1 25 25 LYS . 18541 1 26 26 CYS . 18541 1 27 27 VAL . 18541 1 28 28 PRO . 18541 1 29 29 ASN . 18541 1 30 30 SER . 18541 1 31 31 GLY . 18541 1 32 32 ASP . 18541 1 33 33 CYS . 18541 1 34 34 GLY . 18541 1 35 35 ASN . 18541 1 36 36 GLY . 18541 1 37 37 ILE . 18541 1 38 38 ARG . 18541 1 39 39 GLU . 18541 1 40 40 ALA . 18541 1 41 41 THR . 18541 1 42 42 CYS . 18541 1 43 43 ASN . 18541 1 44 44 GLU . 18541 1 45 45 GLN . 18541 1 46 46 THR . 18541 1 47 47 LYS . 18541 1 48 48 LYS . 18541 1 49 49 THR . 18541 1 50 50 LYS . 18541 1 51 51 CYS . 18541 1 52 52 LYS . 18541 1 53 53 VAL . 18541 1 54 54 PRO . 18541 1 55 55 CYS . 18541 1 56 56 ASN . 18541 1 57 57 TRP . 18541 1 58 58 LYS . 18541 1 59 59 LYS . 18541 1 60 60 ASP . 18541 1 61 61 PHE . 18541 1 62 62 GLY . 18541 1 63 63 ALA . 18541 1 64 64 ASP . 18541 1 65 65 CYS . 18541 1 66 66 LYS . 18541 1 67 67 TYR . 18541 1 68 68 LYS . 18541 1 69 69 PHE . 18541 1 70 70 GLY . 18541 1 71 71 ARG . 18541 1 72 72 TRP . 18541 1 73 73 ALA . 18541 1 74 74 GLU . 18541 1 75 75 CYS . 18541 1 76 76 ASP . 18541 1 77 77 THR . 18541 1 78 78 THR . 18541 1 79 79 THR . 18541 1 80 80 GLY . 18541 1 81 81 THR . 18541 1 82 82 ARG . 18541 1 83 83 SER . 18541 1 84 84 ARG . 18541 1 85 85 SER . 18541 1 86 86 GLY . 18541 1 87 87 THR . 18541 1 88 88 LEU . 18541 1 89 89 LYS . 18541 1 90 90 LYS . 18541 1 91 91 ALA . 18541 1 92 92 LEU . 18541 1 93 93 PHE . 18541 1 94 94 ASN . 18541 1 95 95 ALA . 18541 1 96 96 GLU . 18541 1 97 97 CYS . 18541 1 98 98 GLN . 18541 1 99 99 THR . 18541 1 100 100 THR . 18541 1 101 101 ILE . 18541 1 102 102 LYS . 18541 1 103 103 VAL . 18541 1 104 104 SER . 18541 1 105 105 LYS . 18541 1 106 106 PRO . 18541 1 107 107 CYS . 18541 1 108 108 THR . 18541 1 109 109 PRO . 18541 1 110 110 LYS . 18541 1 111 111 THR . 18541 1 112 112 PRO . 18541 1 113 113 LYS . 18541 1 114 114 PRO . 18541 1 115 115 LYS . 18541 1 116 116 GLY . 18541 1 117 117 GLY . 18541 1 118 118 GLU . 18541 1 119 119 LYS . 18541 1 120 120 LYS . 18541 1 121 121 LYS . 18541 1 122 122 GLY . 18541 1 123 123 LYS . 18541 1 124 124 GLY . 18541 1 125 125 LYS . 18541 1 126 126 GLU . 18541 1 127 127 ASN . 18541 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 18541 1 . SER 2 2 18541 1 . MET 3 3 18541 1 . LYS 4 4 18541 1 . LYS 5 5 18541 1 . LYS 6 6 18541 1 . GLU 7 7 18541 1 . LYS 8 8 18541 1 . GLY 9 9 18541 1 . LYS 10 10 18541 1 . GLU 11 11 18541 1 . PRO 12 12 18541 1 . LYS 13 13 18541 1 . ALA 14 14 18541 1 . ASP 15 15 18541 1 . ALA 16 16 18541 1 . GLU 17 17 18541 1 . CYS 18 18 18541 1 . SER 19 19 18541 1 . GLU 20 20 18541 1 . TRP 21 21 18541 1 . GLN 22 22 18541 1 . TYR 23 23 18541 1 . GLY 24 24 18541 1 . LYS 25 25 18541 1 . CYS 26 26 18541 1 . VAL 27 27 18541 1 . PRO 28 28 18541 1 . ASN 29 29 18541 1 . SER 30 30 18541 1 . GLY 31 31 18541 1 . ASP 32 32 18541 1 . CYS 33 33 18541 1 . GLY 34 34 18541 1 . ASN 35 35 18541 1 . GLY 36 36 18541 1 . ILE 37 37 18541 1 . ARG 38 38 18541 1 . GLU 39 39 18541 1 . ALA 40 40 18541 1 . THR 41 41 18541 1 . CYS 42 42 18541 1 . ASN 43 43 18541 1 . GLU 44 44 18541 1 . GLN 45 45 18541 1 . THR 46 46 18541 1 . LYS 47 47 18541 1 . LYS 48 48 18541 1 . THR 49 49 18541 1 . LYS 50 50 18541 1 . CYS 51 51 18541 1 . LYS 52 52 18541 1 . VAL 53 53 18541 1 . PRO 54 54 18541 1 . CYS 55 55 18541 1 . ASN 56 56 18541 1 . TRP 57 57 18541 1 . LYS 58 58 18541 1 . LYS 59 59 18541 1 . ASP 60 60 18541 1 . PHE 61 61 18541 1 . GLY 62 62 18541 1 . ALA 63 63 18541 1 . ASP 64 64 18541 1 . CYS 65 65 18541 1 . LYS 66 66 18541 1 . TYR 67 67 18541 1 . LYS 68 68 18541 1 . PHE 69 69 18541 1 . GLY 70 70 18541 1 . ARG 71 71 18541 1 . TRP 72 72 18541 1 . ALA 73 73 18541 1 . GLU 74 74 18541 1 . CYS 75 75 18541 1 . ASP 76 76 18541 1 . THR 77 77 18541 1 . THR 78 78 18541 1 . THR 79 79 18541 1 . GLY 80 80 18541 1 . THR 81 81 18541 1 . ARG 82 82 18541 1 . SER 83 83 18541 1 . ARG 84 84 18541 1 . SER 85 85 18541 1 . GLY 86 86 18541 1 . THR 87 87 18541 1 . LEU 88 88 18541 1 . LYS 89 89 18541 1 . LYS 90 90 18541 1 . ALA 91 91 18541 1 . LEU 92 92 18541 1 . PHE 93 93 18541 1 . ASN 94 94 18541 1 . ALA 95 95 18541 1 . GLU 96 96 18541 1 . CYS 97 97 18541 1 . GLN 98 98 18541 1 . THR 99 99 18541 1 . THR 100 100 18541 1 . ILE 101 101 18541 1 . LYS 102 102 18541 1 . VAL 103 103 18541 1 . SER 104 104 18541 1 . LYS 105 105 18541 1 . PRO 106 106 18541 1 . CYS 107 107 18541 1 . THR 108 108 18541 1 . PRO 109 109 18541 1 . LYS 110 110 18541 1 . THR 111 111 18541 1 . PRO 112 112 18541 1 . LYS 113 113 18541 1 . PRO 114 114 18541 1 . LYS 115 115 18541 1 . GLY 116 116 18541 1 . GLY 117 117 18541 1 . GLU 118 118 18541 1 . LYS 119 119 18541 1 . LYS 120 120 18541 1 . LYS 121 121 18541 1 . GLY 122 122 18541 1 . LYS 123 123 18541 1 . GLY 124 124 18541 1 . LYS 125 125 18541 1 . GLU 126 126 18541 1 . ASN 127 127 18541 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 18541 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $midkine-b . 7955 organism . 'Danio rerio' Zebrafish . . Eukaryota Metazoa Danio rerio . . . . . . . . . . . . . . . . . . . . . 18541 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 18541 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $midkine-b . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pGEX-4T-1 . . . . . . 18541 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 18541 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '10 mM NaH2PO4/ Na2HPO4 at pH 6.5, 0.1 mM NaN3, 100 mM NaCl, 1 mM EDTA, 95% H2O, 5 % D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'potassium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 18541 1 2 'sodium azide' 'natural abundance' . . . . . . 0.1 . . mM . . . . 18541 1 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 18541 1 4 EDTA 'natural abundance' . . . . . . 1 . . mM . . . . 18541 1 5 midkine-b '[U-100% 13C; U-100% 15N]' . . 1 $midkine-b . . 0.8 . . mM . . . . 18541 1 6 H2O 'natural abundance' . . . . . . 95 . . % . . . . 18541 1 7 D2O 'natural abundance' . . . . . . 5 . . % . . . . 18541 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 18541 _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 pH 6.5 . pH 18541 1 pressure 1 . atm 18541 1 temperature 298 . K 18541 1 stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 18541 _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' . . 18541 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 18541 1 stop_ save_ save_NMRSpy _Software.Sf_category software _Software.Sf_framecode NMRSpy _Software.Entry_ID 18541 _Software.ID 2 _Software.Name NMRSpy _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Zheng Yu and Yang Daiwen' . dbsydw@nus.edu.sg 18541 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 18541 2 stop_ save_ save_TALOS _Software.Sf_category software _Software.Sf_framecode TALOS _Software.Entry_ID 18541 _Software.ID 3 _Software.Name TALOS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 18541 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'geometry optimization' 18541 3 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 18541 _Software.ID 4 _Software.Name NMRPipe _Software.Version 1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 18541 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 18541 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 18541 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 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 18541 _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 . 500 . . . 18541 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 18541 _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 . . . . . . . . . . . . . . . . 18541 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18541 1 3 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18541 1 4 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18541 1 5 '3D MQ-(H)CCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18541 1 6 '4D timeshared 13C/ 15N edited NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18541 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 18541 _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 na indirect 0.251449530 . . . . . . . . . 18541 1 H 1 water protons . . . . ppm 4.71 external indirect 1.0 . . . . . . . . . 18541 1 N 15 DSS 'methyl protons' . . . . ppm 0 na indirect 0.101329118 . . . . . . . . . 18541 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 18541 _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 0.03 _Assigned_chem_shift_list.Chem_shift_13C_err 0.3 _Assigned_chem_shift_list.Chem_shift_15N_err 0.3 _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method 'spectrum resolution based on acquisition points/ ppm' _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 6 '4D timeshared 13C/ 15N edited NOESY' . . . 18541 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 5 5 LYS HA H 1 4.297 0.03 . 1 . . . A 5 LYS HA . 18541 1 2 . 1 1 5 5 LYS HB3 H 1 1.774 0.03 . 1 . . . A 5 LYS HB3 . 18541 1 3 . 1 1 5 5 LYS CA C 13 56.021 0.30 . 1 . . . A 5 LYS CA . 18541 1 4 . 1 1 5 5 LYS CB C 13 33.298 0.30 . 1 . . . A 5 LYS CB . 18541 1 5 . 1 1 6 6 LYS H H 1 8.476 0.03 . 1 . . . A 6 LYS H . 18541 1 6 . 1 1 6 6 LYS HA H 1 4.264 0.03 . 1 . . . A 6 LYS HA . 18541 1 7 . 1 1 6 6 LYS CA C 13 55.722 0.3 . 1 . . . A 6 LYS CA . 18541 1 8 . 1 1 6 6 LYS N N 15 123.506 0.3 . 1 . . . A 6 LYS N . 18541 1 9 . 1 1 7 7 GLU H H 1 8.354 0.03 . 1 . . . A 7 GLU H . 18541 1 10 . 1 1 7 7 GLU HA H 1 4.266 0.03 . 1 . . . A 7 GLU HA . 18541 1 11 . 1 1 7 7 GLU CA C 13 56.501 0.3 . 1 . . . A 7 GLU CA . 18541 1 12 . 1 1 7 7 GLU N N 15 123.769 0.3 . 1 . . . A 7 GLU N . 18541 1 13 . 1 1 8 8 LYS H H 1 8.406 0.03 . 1 . . . A 8 LYS H . 18541 1 14 . 1 1 8 8 LYS HA H 1 4.229 0.03 . 1 . . . A 8 LYS HA . 18541 1 15 . 1 1 8 8 LYS CA C 13 56.637 0.3 . 1 . . . A 8 LYS CA . 18541 1 16 . 1 1 8 8 LYS N N 15 123.785 0.3 . 1 . . . A 8 LYS N . 18541 1 17 . 1 1 9 9 GLY H H 1 8.523 0.03 . 1 . . . A 9 GLY H . 18541 1 18 . 1 1 9 9 GLY HA3 H 1 3.923 0.03 . 1 . . . A 9 GLY HA3 . 18541 1 19 . 1 1 9 9 GLY CA C 13 45.378 0.3 . 1 . . . A 9 GLY CA . 18541 1 20 . 1 1 9 9 GLY N N 15 110.707 0.3 . 1 . . . A 9 GLY N . 18541 1 21 . 1 1 10 10 LYS HA H 1 4.295 0.03 . 1 . . . A 10 LYS HA . 18541 1 22 . 1 1 10 10 LYS CA C 13 56.031 0.3 . 1 . . . A 10 LYS CA . 18541 1 23 . 1 1 11 11 GLU H H 1 8.482 0.03 . 1 . . . A 11 GLU H . 18541 1 24 . 1 1 11 11 GLU HA H 1 4.521 0.03 . 1 . . . A 11 GLU HA . 18541 1 25 . 1 1 11 11 GLU HB3 H 1 1.875 0.03 . 1 . . . A 11 GLU HB3 . 18541 1 26 . 1 1 11 11 GLU HG3 H 1 2.241 0.03 . 1 . . . A 11 GLU HG3 . 18541 1 27 . 1 1 11 11 GLU CA C 13 54.441 0.3 . 1 . . . A 11 GLU CA . 18541 1 28 . 1 1 11 11 GLU CB C 13 29.497 0.3 . 1 . . . A 11 GLU CB . 18541 1 29 . 1 1 11 11 GLU CG C 13 36.066 0.3 . 1 . . . A 11 GLU CG . 18541 1 30 . 1 1 11 11 GLU N N 15 123.866 0.3 . 1 . . . A 11 GLU N . 18541 1 31 . 1 1 12 12 PRO HA H 1 4.377 0.03 . 1 . . . A 12 PRO HA . 18541 1 32 . 1 1 12 12 PRO HB2 H 1 2.227 0.03 . 1 . . . A 12 PRO HB2 . 18541 1 33 . 1 1 12 12 PRO HB3 H 1 1.832 0.03 . 1 . . . A 12 PRO HB3 . 18541 1 34 . 1 1 12 12 PRO HG3 H 1 1.386 0.03 . 1 . . . A 12 PRO HG3 . 18541 1 35 . 1 1 12 12 PRO HD3 H 1 3.730 0.03 . 1 . . . A 12 PRO HD3 . 18541 1 36 . 1 1 12 12 PRO CA C 13 63.303 0.3 . 1 . . . A 12 PRO CA . 18541 1 37 . 1 1 12 12 PRO CB C 13 32.522 0.3 . 1 . . . A 12 PRO CB . 18541 1 38 . 1 1 12 12 PRO CG C 13 24.880 0.3 . 1 . . . A 12 PRO CG . 18541 1 39 . 1 1 12 12 PRO CD C 13 50.778 0.3 . 1 . . . A 12 PRO CD . 18541 1 40 . 1 1 13 13 LYS H H 1 8.371 0.03 . 1 . . . A 13 LYS H . 18541 1 41 . 1 1 13 13 LYS HA H 1 4.263 0.03 . 1 . . . A 13 LYS HA . 18541 1 42 . 1 1 13 13 LYS HB3 H 1 1.738 0.03 . 1 . . . A 13 LYS HB3 . 18541 1 43 . 1 1 13 13 LYS HG3 H 1 1.407 0.03 . 1 . . . A 13 LYS HG3 . 18541 1 44 . 1 1 13 13 LYS CA C 13 56.379 0.3 . 1 . . . A 13 LYS CA . 18541 1 45 . 1 1 13 13 LYS CB C 13 33.277 0.3 . 1 . . . A 13 LYS CB . 18541 1 46 . 1 1 13 13 LYS CG C 13 25.004 0.3 . 1 . . . A 13 LYS CG . 18541 1 47 . 1 1 13 13 LYS N N 15 121.851 0.3 . 1 . . . A 13 LYS N . 18541 1 48 . 1 1 14 14 ALA H H 1 8.376 0.03 . 1 . . . A 14 ALA H . 18541 1 49 . 1 1 14 14 ALA HA H 1 4.262 0.03 . 1 . . . A 14 ALA HA . 18541 1 50 . 1 1 14 14 ALA HB1 H 1 1.342 0.03 . 1 . . . A 14 ALA HB1 . 18541 1 51 . 1 1 14 14 ALA HB2 H 1 1.342 0.03 . 1 . . . A 14 ALA HB2 . 18541 1 52 . 1 1 14 14 ALA HB3 H 1 1.342 0.03 . 1 . . . A 14 ALA HB3 . 18541 1 53 . 1 1 14 14 ALA CA C 13 52.458 0.03 . 1 . . . A 14 ALA CA . 18541 1 54 . 1 1 14 14 ALA CB C 13 19.427 0.03 . 1 . . . A 14 ALA CB . 18541 1 55 . 1 1 14 14 ALA N N 15 125.976 0.3 . 1 . . . A 14 ALA N . 18541 1 56 . 1 1 15 15 ASP H H 1 8.287 0.03 . 1 . . . A 15 ASP H . 18541 1 57 . 1 1 15 15 ASP HA H 1 4.521 0.03 . 1 . . . A 15 ASP HA . 18541 1 58 . 1 1 15 15 ASP HB3 H 1 2.594 0.03 . 1 . . . A 15 ASP HB3 . 18541 1 59 . 1 1 15 15 ASP CA C 13 54.348 0.3 . 1 . . . A 15 ASP CA . 18541 1 60 . 1 1 15 15 ASP CB C 13 41.241 0.3 . 1 . . . A 15 ASP CB . 18541 1 61 . 1 1 15 15 ASP N N 15 119.712 0.3 . 1 . . . A 15 ASP N . 18541 1 62 . 1 1 16 16 ALA H H 1 8.093 0.03 . 1 . . . A 16 ALA H . 18541 1 63 . 1 1 16 16 ALA HA H 1 4.291 0.03 . 1 . . . A 16 ALA HA . 18541 1 64 . 1 1 16 16 ALA HB1 H 1 1.342 0.03 . 1 . . . A 16 ALA HB1 . 18541 1 65 . 1 1 16 16 ALA HB2 H 1 1.342 0.03 . 1 . . . A 16 ALA HB2 . 18541 1 66 . 1 1 16 16 ALA HB3 H 1 1.342 0.03 . 1 . . . A 16 ALA HB3 . 18541 1 67 . 1 1 16 16 ALA CA C 13 52.489 0.3 . 1 . . . A 16 ALA CA . 18541 1 68 . 1 1 16 16 ALA CB C 13 19.644 0.3 . 1 . . . A 16 ALA CB . 18541 1 69 . 1 1 16 16 ALA N N 15 123.569 0.3 . 1 . . . A 16 ALA N . 18541 1 70 . 1 1 17 17 GLU H H 1 8.276 0.03 . 1 . . . A 17 GLU H . 18541 1 71 . 1 1 17 17 GLU HA H 1 4.240 0.03 . 1 . . . A 17 GLU HA . 18541 1 72 . 1 1 17 17 GLU HB3 H 1 1.911 0.03 . 1 . . . A 17 GLU HB3 . 18541 1 73 . 1 1 17 17 GLU HG3 H 1 2.177 0.03 . 1 . . . A 17 GLU HG3 . 18541 1 74 . 1 1 17 17 GLU CA C 13 56.269 0.3 . 1 . . . A 17 GLU CA . 18541 1 75 . 1 1 17 17 GLU CB C 13 30.426 0.3 . 1 . . . A 17 GLU CB . 18541 1 76 . 1 1 17 17 GLU CG C 13 36.252 0.3 . 1 . . . A 17 GLU CG . 18541 1 77 . 1 1 17 17 GLU N N 15 120.108 0.3 . 1 . . . A 17 GLU N . 18541 1 78 . 1 1 18 18 CYS H H 1 8.347 0.03 . 1 . . . A 18 CYS H . 18541 1 79 . 1 1 18 18 CYS HA H 1 4.378 0.03 . 1 . . . A 18 CYS HA . 18541 1 80 . 1 1 18 18 CYS HB2 H 1 2.565 0.03 . 1 . . . A 18 CYS HB2 . 18541 1 81 . 1 1 18 18 CYS HB3 H 1 2.845 0.03 . 1 . . . A 18 CYS HB3 . 18541 1 82 . 1 1 18 18 CYS CA C 13 57.840 0.3 . 1 . . . A 18 CYS CA . 18541 1 83 . 1 1 18 18 CYS CB C 13 42.356 0.3 . 1 . . . A 18 CYS CB . 18541 1 84 . 1 1 18 18 CYS N N 15 122.416 0.3 . 1 . . . A 18 CYS N . 18541 1 85 . 1 1 19 19 SER HA H 1 4.470 0.03 . 1 . . . A 19 SER HA . 18541 1 86 . 1 1 19 19 SER HB3 H 1 3.788 0.03 . 1 . . . A 19 SER HB3 . 18541 1 87 . 1 1 19 19 SER CA C 13 59.708 0.3 . 1 . . . A 19 SER CA . 18541 1 88 . 1 1 19 19 SER CB C 13 64.170 0.3 . 1 . . . A 19 SER CB . 18541 1 89 . 1 1 20 20 GLU H H 1 7.466 0.03 . 1 . . . A 20 GLU H . 18541 1 90 . 1 1 20 20 GLU HA H 1 4.578 0.03 . 1 . . . A 20 GLU HA . 18541 1 91 . 1 1 20 20 GLU HB3 H 1 1.860 0.03 . 1 . . . A 20 GLU HB3 . 18541 1 92 . 1 1 20 20 GLU HG3 H 1 2.119 0.03 . 1 . . . A 20 GLU HG3 . 18541 1 93 . 1 1 20 20 GLU CA C 13 55.556 0.3 . 1 . . . A 20 GLU CA . 18541 1 94 . 1 1 20 20 GLU CB C 13 30.396 0.3 . 1 . . . A 20 GLU CB . 18541 1 95 . 1 1 20 20 GLU CG C 13 35.973 0.3 . 1 . . . A 20 GLU CG . 18541 1 96 . 1 1 20 20 GLU N N 15 122.747 0.3 . 1 . . . A 20 GLU N . 18541 1 97 . 1 1 21 21 TRP H H 1 8.260 0.03 . 1 . . . A 21 TRP H . 18541 1 98 . 1 1 21 21 TRP HA H 1 4.190 0.03 . 1 . . . A 21 TRP HA . 18541 1 99 . 1 1 21 21 TRP HB2 H 1 2.723 0.03 . 1 . . . A 21 TRP HB2 . 18541 1 100 . 1 1 21 21 TRP HB3 H 1 2.435 0.03 . 1 . . . A 21 TRP HB3 . 18541 1 101 . 1 1 21 21 TRP HD1 H 1 7.196 0.03 . 1 . . . A 21 TRP HD1 . 18541 1 102 . 1 1 21 21 TRP HE1 H 1 10.038 0.03 . 1 . . . A 21 TRP HE1 . 18541 1 103 . 1 1 21 21 TRP HE3 H 1 6.925 0.03 . 1 . . . A 21 TRP HE3 . 18541 1 104 . 1 1 21 21 TRP HZ2 H 1 7.483 0.03 . 1 . . . A 21 TRP HZ2 . 18541 1 105 . 1 1 21 21 TRP HZ3 H 1 6.707 0.03 . 1 . . . A 21 TRP HZ3 . 18541 1 106 . 1 1 21 21 TRP HH2 H 1 6.973 0.03 . 1 . . . A 21 TRP HH2 . 18541 1 107 . 1 1 21 21 TRP CA C 13 57.756 0.3 . 1 . . . A 21 TRP CA . 18541 1 108 . 1 1 21 21 TRP CB C 13 29.714 0.3 . 1 . . . A 21 TRP CB . 18541 1 109 . 1 1 21 21 TRP CD1 C 13 127.296 0.3 . 1 . . . A 21 TRP CD1 . 18541 1 110 . 1 1 21 21 TRP CE3 C 13 120.621 0.3 . 1 . . . A 21 TRP CE3 . 18541 1 111 . 1 1 21 21 TRP CZ2 C 13 115.143 0.3 . 1 . . . A 21 TRP CZ2 . 18541 1 112 . 1 1 21 21 TRP CZ3 C 13 121.977 0.3 . 1 . . . A 21 TRP CZ3 . 18541 1 113 . 1 1 21 21 TRP CH2 C 13 124.316 0.3 . 1 . . . A 21 TRP CH2 . 18541 1 114 . 1 1 21 21 TRP N N 15 125.223 0.3 . 1 . . . A 21 TRP N . 18541 1 115 . 1 1 21 21 TRP NE1 N 15 130.505 0.3 . 1 . . . A 21 TRP NE1 . 18541 1 116 . 1 1 22 22 GLN H H 1 8.838 0.03 . 1 . . . A 22 GLN H . 18541 1 117 . 1 1 22 22 GLN HA H 1 4.528 0.03 . 1 . . . A 22 GLN HA . 18541 1 118 . 1 1 22 22 GLN HB2 H 1 1.982 0.03 . 1 . . . A 22 GLN HB2 . 18541 1 119 . 1 1 22 22 GLN HB3 H 1 2.069 0.03 . 1 . . . A 22 GLN HB3 . 18541 1 120 . 1 1 22 22 GLN HG3 H 1 2.234 0.03 . 1 . . . A 22 GLN HG3 . 18541 1 121 . 1 1 22 22 GLN HE21 H 1 7.376 0.03 . 1 . . . A 22 GLN HE21 . 18541 1 122 . 1 1 22 22 GLN HE22 H 1 6.879 0.03 . 1 . . . A 22 GLN HE22 . 18541 1 123 . 1 1 22 22 GLN CA C 13 54.379 0.3 . 1 . . . A 22 GLN CA . 18541 1 124 . 1 1 22 22 GLN CB C 13 29.745 0.3 . 1 . . . A 22 GLN CB . 18541 1 125 . 1 1 22 22 GLN CG C 13 33.649 0.3 . 1 . . . A 22 GLN CG . 18541 1 126 . 1 1 22 22 GLN N N 15 121.000 0.3 . 1 . . . A 22 GLN N . 18541 1 127 . 1 1 22 22 GLN NE2 N 15 112.616 0.3 . 1 . . . A 22 GLN NE2 . 18541 1 128 . 1 1 23 23 TYR H H 1 8.867 0.03 . 1 . . . A 23 TYR H . 18541 1 129 . 1 1 23 23 TYR HA H 1 4.952 0.03 . 1 . . . A 23 TYR HA . 18541 1 130 . 1 1 23 23 TYR HB3 H 1 2.881 0.03 . 1 . . . A 23 TYR HB3 . 18541 1 131 . 1 1 23 23 TYR HD1 H 1 7.009 0.03 . 1 . . . A 23 TYR HD1 . 18541 1 132 . 1 1 23 23 TYR HE1 H 1 6.614 0.03 . 1 . . . A 23 TYR HE1 . 18541 1 133 . 1 1 23 23 TYR CA C 13 58.624 0.3 . 1 . . . A 23 TYR CA . 18541 1 134 . 1 1 23 23 TYR CB C 13 41.117 0.3 . 1 . . . A 23 TYR CB . 18541 1 135 . 1 1 23 23 TYR CD1 C 13 133.300 0.3 . 1 . . . A 23 TYR CD1 . 18541 1 136 . 1 1 23 23 TYR CE1 C 13 118.142 0.3 . 1 . . . A 23 TYR CE1 . 18541 1 137 . 1 1 23 23 TYR N N 15 123.216 0.3 . 1 . . . A 23 TYR N . 18541 1 138 . 1 1 24 24 GLY H H 1 8.784 0.03 . 1 . . . A 24 GLY H . 18541 1 139 . 1 1 24 24 GLY HA2 H 1 4.434 0.03 . 1 . . . A 24 GLY HA2 . 18541 1 140 . 1 1 24 24 GLY HA3 H 1 3.938 0.03 . 1 . . . A 24 GLY HA3 . 18541 1 141 . 1 1 24 24 GLY CA C 13 43.874 0.3 . 1 . . . A 24 GLY CA . 18541 1 142 . 1 1 24 24 GLY N N 15 110.374 0.3 . 1 . . . A 24 GLY N . 18541 1 143 . 1 1 25 25 LYS H H 1 8.341 0.03 . 1 . . . A 25 LYS H . 18541 1 144 . 1 1 25 25 LYS HA H 1 4.168 0.03 . 1 . . . A 25 LYS HA . 18541 1 145 . 1 1 25 25 LYS HB3 H 1 1.695 0.03 . 1 . . . A 25 LYS HB3 . 18541 1 146 . 1 1 25 25 LYS HG3 H 1 1.371 0.03 . 1 . . . A 25 LYS HG3 . 18541 1 147 . 1 1 25 25 LYS HD3 H 1 1.637 0.03 . 1 . . . A 25 LYS HD3 . 18541 1 148 . 1 1 25 25 LYS HE3 H 1 2.939 0.03 . 1 . . . A 25 LYS HE3 . 18541 1 149 . 1 1 25 25 LYS CA C 13 56.145 0.3 . 1 . . . A 25 LYS CA . 18541 1 150 . 1 1 25 25 LYS CB C 13 33.463 0.3 . 1 . . . A 25 LYS CB . 18541 1 151 . 1 1 25 25 LYS CG C 13 24.818 0.3 . 1 . . . A 25 LYS CG . 18541 1 152 . 1 1 25 25 LYS CD C 13 29.156 0.3 . 1 . . . A 25 LYS CD . 18541 1 153 . 1 1 25 25 LYS CE C 13 42.275 0.3 . 1 . . . A 25 LYS CE . 18541 1 154 . 1 1 25 25 LYS N N 15 118.661 0.3 . 1 . . . A 25 LYS N . 18541 1 155 . 1 1 26 26 CYS H H 1 8.707 0.03 . 1 . . . A 26 CYS H . 18541 1 156 . 1 1 26 26 CYS HA H 1 4.370 0.03 . 1 . . . A 26 CYS HA . 18541 1 157 . 1 1 26 26 CYS HB3 H 1 2.730 0.03 . 1 . . . A 26 CYS HB3 . 18541 1 158 . 1 1 26 26 CYS CA C 13 55.866 0.3 . 1 . . . A 26 CYS CA . 18541 1 159 . 1 1 26 26 CYS CB C 13 41.272 0.3 . 1 . . . A 26 CYS CB . 18541 1 160 . 1 1 26 26 CYS N N 15 120.448 0.3 . 1 . . . A 26 CYS N . 18541 1 161 . 1 1 27 27 VAL H H 1 8.563 0.03 . 1 . . . A 27 VAL H . 18541 1 162 . 1 1 27 27 VAL HA H 1 4.320 0.03 . 1 . . . A 27 VAL HA . 18541 1 163 . 1 1 27 27 VAL HB H 1 2.069 0.03 . 1 . . . A 27 VAL HB . 18541 1 164 . 1 1 27 27 VAL HG11 H 1 0.918 0.03 . 1 . . . A 27 VAL HG11 . 18541 1 165 . 1 1 27 27 VAL HG12 H 1 0.918 0.03 . 1 . . . A 27 VAL HG12 . 18541 1 166 . 1 1 27 27 VAL HG13 H 1 0.918 0.03 . 1 . . . A 27 VAL HG13 . 18541 1 167 . 1 1 27 27 VAL HG21 H 1 0.876 0.03 . 1 . . . A 27 VAL HG21 . 18541 1 168 . 1 1 27 27 VAL HG22 H 1 0.876 0.03 . 1 . . . A 27 VAL HG22 . 18541 1 169 . 1 1 27 27 VAL HG23 H 1 0.876 0.03 . 1 . . . A 27 VAL HG23 . 18541 1 170 . 1 1 27 27 VAL CA C 13 59.894 0.3 . 1 . . . A 27 VAL CA . 18541 1 171 . 1 1 27 27 VAL CB C 13 33.091 0.3 . 1 . . . A 27 VAL CB . 18541 1 172 . 1 1 27 27 VAL CG1 C 13 21.007 0.3 . 1 . . . A 27 VAL CG1 . 18541 1 173 . 1 1 27 27 VAL CG2 C 13 20.653 0.3 . 1 . . . A 27 VAL CG2 . 18541 1 174 . 1 1 27 27 VAL N N 15 133.553 0.3 . 1 . . . A 27 VAL N . 18541 1 175 . 1 1 28 28 PRO HA H 1 4.140 0.03 . 1 . . . A 28 PRO HA . 18541 1 176 . 1 1 28 28 PRO HB2 H 1 1.573 0.03 . 1 . . . A 28 PRO HB2 . 18541 1 177 . 1 1 28 28 PRO HG2 H 1 1.328 0.03 . 1 . . . A 28 PRO HG2 . 18541 1 178 . 1 1 28 28 PRO HG3 H 1 1.760 0.03 . 1 . . . A 28 PRO HG3 . 18541 1 179 . 1 1 28 28 PRO HD2 H 1 3.665 0.03 . 1 . . . A 28 PRO HD2 . 18541 1 180 . 1 1 28 28 PRO HD3 H 1 3.967 0.03 . 1 . . . A 28 PRO HD3 . 18541 1 181 . 1 1 28 28 PRO CA C 13 62.900 0.3 . 1 . . . A 28 PRO CA . 18541 1 182 . 1 1 28 28 PRO CB C 13 32.069 0.3 . 1 . . . A 28 PRO CB . 18541 1 183 . 1 1 28 28 PRO CG C 13 27.514 0.3 . 1 . . . A 28 PRO CG . 18541 1 184 . 1 1 28 28 PRO CD C 13 51.521 0.3 . 1 . . . A 28 PRO CD . 18541 1 185 . 1 1 29 29 ASN H H 1 9.227 0.03 . 1 . . . A 29 ASN H . 18541 1 186 . 1 1 29 29 ASN HA H 1 4.435 0.03 . 1 . . . A 29 ASN HA . 18541 1 187 . 1 1 29 29 ASN HB2 H 1 2.833 0.03 . 1 . . . A 29 ASN HB2 . 18541 1 188 . 1 1 29 29 ASN HB3 H 1 2.650 0.03 . 1 . . . A 29 ASN HB3 . 18541 1 189 . 1 1 29 29 ASN CA C 13 55.494 0.3 . 1 . . . A 29 ASN CA . 18541 1 190 . 1 1 29 29 ASN CB C 13 38.359 0.3 . 1 . . . A 29 ASN CB . 18541 1 191 . 1 1 29 29 ASN N N 15 122.812 0.3 . 1 . . . A 29 ASN N . 18541 1 192 . 1 1 30 30 SER H H 1 8.447 0.03 . 1 . . . A 30 SER H . 18541 1 193 . 1 1 30 30 SER HA H 1 4.528 0.03 . 1 . . . A 30 SER HA . 18541 1 194 . 1 1 30 30 SER HB3 H 1 3.730 0.03 . 1 . . . A 30 SER HB3 . 18541 1 195 . 1 1 30 30 SER CA C 13 57.508 0.3 . 1 . . . A 30 SER CA . 18541 1 196 . 1 1 30 30 SER CB C 13 64.759 0.3 . 1 . . . A 30 SER CB . 18541 1 197 . 1 1 30 30 SER N N 15 112.217 0.3 . 1 . . . A 30 SER N . 18541 1 198 . 1 1 31 31 GLY H H 1 8.507 0.03 . 1 . . . A 31 GLY H . 18541 1 199 . 1 1 31 31 GLY HA2 H 1 4.068 0.03 . 1 . . . A 31 GLY HA2 . 18541 1 200 . 1 1 31 31 GLY HA3 H 1 3.772 0.03 . 1 . . . A 31 GLY HA3 . 18541 1 201 . 1 1 31 31 GLY CA C 13 46.136 0.3 . 1 . . . A 31 GLY CA . 18541 1 202 . 1 1 31 31 GLY N N 15 110.684 0.3 . 1 . . . A 31 GLY N . 18541 1 203 . 1 1 32 32 ASP H H 1 8.367 0.03 . 1 . . . A 32 ASP H . 18541 1 204 . 1 1 32 32 ASP HA H 1 4.672 0.03 . 1 . . . A 32 ASP HA . 18541 1 205 . 1 1 32 32 ASP HB2 H 1 2.680 0.03 . 1 . . . A 32 ASP HB2 . 18541 1 206 . 1 1 32 32 ASP CA C 13 53.356 0.3 . 1 . . . A 32 ASP CA . 18541 1 207 . 1 1 32 32 ASP CB C 13 41.860 0.3 . 1 . . . A 32 ASP CB . 18541 1 208 . 1 1 32 32 ASP N N 15 118.261 0.3 . 1 . . . A 32 ASP N . 18541 1 209 . 1 1 33 33 CYS H H 1 7.927 0.03 . 1 . . . A 33 CYS H . 18541 1 210 . 1 1 33 33 CYS HA H 1 4.514 0.03 . 1 . . . A 33 CYS HA . 18541 1 211 . 1 1 33 33 CYS HB2 H 1 2.860 0.03 . 1 . . . A 33 CYS HB2 . 18541 1 212 . 1 1 33 33 CYS HB3 H 1 3.866 0.03 . 1 . . . A 33 CYS HB3 . 18541 1 213 . 1 1 33 33 CYS CA C 13 56.238 0.3 . 1 . . . A 33 CYS CA . 18541 1 214 . 1 1 33 33 CYS CB C 13 48.120 0.3 . 1 . . . A 33 CYS CB . 18541 1 215 . 1 1 33 33 CYS N N 15 113.108 0.3 . 1 . . . A 33 CYS N . 18541 1 216 . 1 1 34 34 GLY H H 1 9.410 0.03 . 1 . . . A 34 GLY H . 18541 1 217 . 1 1 34 34 GLY HA2 H 1 4.636 0.03 . 1 . . . A 34 GLY HA2 . 18541 1 218 . 1 1 34 34 GLY HA3 H 1 3.744 0.03 . 1 . . . A 34 GLY HA3 . 18541 1 219 . 1 1 34 34 GLY CA C 13 43.813 0.3 . 1 . . . A 34 GLY CA . 18541 1 220 . 1 1 34 34 GLY N N 15 109.586 0.3 . 1 . . . A 34 GLY N . 18541 1 221 . 1 1 35 35 ASN H H 1 8.905 0.03 . 1 . . . A 35 ASN H . 18541 1 222 . 1 1 35 35 ASN HA H 1 4.744 0.03 . 1 . . . A 35 ASN HA . 18541 1 223 . 1 1 35 35 ASN HB2 H 1 2.793 0.03 . 1 . . . A 35 ASN HB2 . 18541 1 224 . 1 1 35 35 ASN HD21 H 1 7.699 0.03 . 1 . . . A 35 ASN HD21 . 18541 1 225 . 1 1 35 35 ASN HD22 H 1 6.824 0.03 . 1 . . . A 35 ASN HD22 . 18541 1 226 . 1 1 35 35 ASN CA C 13 54.596 0.3 . 1 . . . A 35 ASN CA . 18541 1 227 . 1 1 35 35 ASN CB C 13 38.545 0.3 . 1 . . . A 35 ASN CB . 18541 1 228 . 1 1 35 35 ASN N N 15 120.577 0.3 . 1 . . . A 35 ASN N . 18541 1 229 . 1 1 35 35 ASN ND2 N 15 111.253 0.3 . 1 . . . A 35 ASN ND2 . 18541 1 230 . 1 1 36 36 GLY H H 1 8.796 0.03 . 1 . . . A 36 GLY H . 18541 1 231 . 1 1 36 36 GLY HA2 H 1 4.470 0.03 . 1 . . . A 36 GLY HA2 . 18541 1 232 . 1 1 36 36 GLY HA3 H 1 3.759 0.03 . 1 . . . A 36 GLY HA3 . 18541 1 233 . 1 1 36 36 GLY CA C 13 46.013 0.3 . 1 . . . A 36 GLY CA . 18541 1 234 . 1 1 36 36 GLY N N 15 110.959 0.3 . 1 . . . A 36 GLY N . 18541 1 235 . 1 1 37 37 ILE H H 1 7.842 0.03 . 1 . . . A 37 ILE H . 18541 1 236 . 1 1 37 37 ILE HA H 1 4.931 0.03 . 1 . . . A 37 ILE HA . 18541 1 237 . 1 1 37 37 ILE HB H 1 1.716 0.03 . 1 . . . A 37 ILE HB . 18541 1 238 . 1 1 37 37 ILE HG12 H 1 1.206 0.03 . 1 . . . A 37 ILE HG12 . 18541 1 239 . 1 1 37 37 ILE HG13 H 1 1.414 0.03 . 1 . . . A 37 ILE HG13 . 18541 1 240 . 1 1 37 37 ILE HG21 H 1 0.782 0.03 . 1 . . . A 37 ILE HG21 . 18541 1 241 . 1 1 37 37 ILE HG22 H 1 0.782 0.03 . 1 . . . A 37 ILE HG22 . 18541 1 242 . 1 1 37 37 ILE HG23 H 1 0.782 0.03 . 1 . . . A 37 ILE HG23 . 18541 1 243 . 1 1 37 37 ILE HD11 H 1 0.695 0.03 . 1 . . . A 37 ILE HD11 . 18541 1 244 . 1 1 37 37 ILE HD12 H 1 0.695 0.03 . 1 . . . A 37 ILE HD12 . 18541 1 245 . 1 1 37 37 ILE HD13 H 1 0.695 0.03 . 1 . . . A 37 ILE HD13 . 18541 1 246 . 1 1 37 37 ILE CA C 13 58.593 0.3 . 1 . . . A 37 ILE CA . 18541 1 247 . 1 1 37 37 ILE CB C 13 41.798 0.3 . 1 . . . A 37 ILE CB . 18541 1 248 . 1 1 37 37 ILE CG1 C 13 27.049 0.3 . 1 . . . A 37 ILE CG1 . 18541 1 249 . 1 1 37 37 ILE CG2 C 13 18.466 0.3 . 1 . . . A 37 ILE CG2 . 18541 1 250 . 1 1 37 37 ILE CD1 C 13 11.742 0.3 . 1 . . . A 37 ILE CD1 . 18541 1 251 . 1 1 37 37 ILE N N 15 120.668 0.3 . 1 . . . A 37 ILE N . 18541 1 252 . 1 1 38 38 ARG H H 1 9.149 0.03 . 1 . . . A 38 ARG H . 18541 1 253 . 1 1 38 38 ARG HA H 1 5.031 0.03 . 1 . . . A 38 ARG HA . 18541 1 254 . 1 1 38 38 ARG HB2 H 1 1.601 0.03 . 1 . . . A 38 ARG HB2 . 18541 1 255 . 1 1 38 38 ARG HG2 H 1 1.306 0.03 . 1 . . . A 38 ARG HG2 . 18541 1 256 . 1 1 38 38 ARG HD2 H 1 2.953 0.03 . 1 . . . A 38 ARG HD2 . 18541 1 257 . 1 1 38 38 ARG CA C 13 53.604 0.3 . 1 . . . A 38 ARG CA . 18541 1 258 . 1 1 38 38 ARG CB C 13 34.052 0.3 . 1 . . . A 38 ARG CB . 18541 1 259 . 1 1 38 38 ARG CG C 13 26.089 0.3 . 1 . . . A 38 ARG CG . 18541 1 260 . 1 1 38 38 ARG CD C 13 44.432 0.3 . 1 . . . A 38 ARG CD . 18541 1 261 . 1 1 38 38 ARG N N 15 125.249 0.3 . 1 . . . A 38 ARG N . 18541 1 262 . 1 1 39 39 GLU H H 1 9.216 0.03 . 1 . . . A 39 GLU H . 18541 1 263 . 1 1 39 39 GLU HA H 1 4.873 0.03 . 1 . . . A 39 GLU HA . 18541 1 264 . 1 1 39 39 GLU HB2 H 1 1.918 0.03 . 1 . . . A 39 GLU HB2 . 18541 1 265 . 1 1 39 39 GLU HG2 H 1 2.227 0.03 . 1 . . . A 39 GLU HG2 . 18541 1 266 . 1 1 39 39 GLU HG3 H 1 2.033 0.03 . 1 . . . A 39 GLU HG3 . 18541 1 267 . 1 1 39 39 GLU CA C 13 56.114 0.3 . 1 . . . A 39 GLU CA . 18541 1 268 . 1 1 39 39 GLU CB C 13 31.883 0.3 . 1 . . . A 39 GLU CB . 18541 1 269 . 1 1 39 39 GLU CG C 13 37.491 0.3 . 1 . . . A 39 GLU CG . 18541 1 270 . 1 1 39 39 GLU N N 15 125.287 0.3 . 1 . . . A 39 GLU N . 18541 1 271 . 1 1 40 40 ALA H H 1 9.032 0.03 . 1 . . . A 40 ALA H . 18541 1 272 . 1 1 40 40 ALA HA H 1 5.312 0.03 . 1 . . . A 40 ALA HA . 18541 1 273 . 1 1 40 40 ALA HB1 H 1 0.969 0.03 . 1 . . . A 40 ALA HB1 . 18541 1 274 . 1 1 40 40 ALA HB2 H 1 0.969 0.03 . 1 . . . A 40 ALA HB2 . 18541 1 275 . 1 1 40 40 ALA HB3 H 1 0.969 0.03 . 1 . . . A 40 ALA HB3 . 18541 1 276 . 1 1 40 40 ALA CA C 13 50.010 0.3 . 1 . . . A 40 ALA CA . 18541 1 277 . 1 1 40 40 ALA CB C 13 23.734 0.3 . 1 . . . A 40 ALA CB . 18541 1 278 . 1 1 40 40 ALA N N 15 127.892 0.3 . 1 . . . A 40 ALA N . 18541 1 279 . 1 1 41 41 THR H H 1 8.987 0.03 . 1 . . . A 41 THR H . 18541 1 280 . 1 1 41 41 THR HA H 1 5.456 0.03 . 1 . . . A 41 THR HA . 18541 1 281 . 1 1 41 41 THR HB H 1 3.967 0.03 . 1 . . . A 41 THR HB . 18541 1 282 . 1 1 41 41 THR HG21 H 1 1.076 0.03 . 1 . . . A 41 THR HG21 . 18541 1 283 . 1 1 41 41 THR HG22 H 1 1.076 0.03 . 1 . . . A 41 THR HG22 . 18541 1 284 . 1 1 41 41 THR HG23 H 1 1.076 0.03 . 1 . . . A 41 THR HG23 . 18541 1 285 . 1 1 41 41 THR CA C 13 60.452 0.3 . 1 . . . A 41 THR CA . 18541 1 286 . 1 1 41 41 THR CB C 13 72.010 0.3 . 1 . . . A 41 THR CB . 18541 1 287 . 1 1 41 41 THR CG2 C 13 21.781 0.3 . 1 . . . A 41 THR CG2 . 18541 1 288 . 1 1 41 41 THR N N 15 114.317 0.3 . 1 . . . A 41 THR N . 18541 1 289 . 1 1 42 42 CYS H H 1 8.199 0.03 . 1 . . . A 42 CYS H . 18541 1 290 . 1 1 42 42 CYS HA H 1 4.147 0.03 . 1 . . . A 42 CYS HA . 18541 1 291 . 1 1 42 42 CYS HB2 H 1 1.515 0.03 . 1 . . . A 42 CYS HB2 . 18541 1 292 . 1 1 42 42 CYS HB3 H 1 0.889 0.03 . 1 . . . A 42 CYS HB3 . 18541 1 293 . 1 1 42 42 CYS CA C 13 56.300 0.3 . 1 . . . A 42 CYS CA . 18541 1 294 . 1 1 42 42 CYS CB C 13 39.970 0.3 . 1 . . . A 42 CYS CB . 18541 1 295 . 1 1 42 42 CYS N N 15 124.017 0.3 . 1 . . . A 42 CYS N . 18541 1 296 . 1 1 43 43 ASN H H 1 9.240 0.03 . 1 . . . A 43 ASN H . 18541 1 297 . 1 1 43 43 ASN HA H 1 4.147 0.03 . 1 . . . A 43 ASN HA . 18541 1 298 . 1 1 43 43 ASN HB2 H 1 2.924 0.03 . 1 . . . A 43 ASN HB2 . 18541 1 299 . 1 1 43 43 ASN HD21 H 1 7.486 0.03 . 1 . . . A 43 ASN HD21 . 18541 1 300 . 1 1 43 43 ASN HD22 H 1 6.777 0.03 . 1 . . . A 43 ASN HD22 . 18541 1 301 . 1 1 43 43 ASN CA C 13 55.169 0.3 . 1 . . . A 43 ASN CA . 18541 1 302 . 1 1 43 43 ASN CB C 13 36.624 0.3 . 1 . . . A 43 ASN CB . 18541 1 303 . 1 1 43 43 ASN N N 15 126.635 0.3 . 1 . . . A 43 ASN N . 18541 1 304 . 1 1 43 43 ASN ND2 N 15 112.616 0.3 . 1 . . . A 43 ASN ND2 . 18541 1 305 . 1 1 44 44 GLU H H 1 8.886 0.03 . 1 . . . A 44 GLU H . 18541 1 306 . 1 1 44 44 GLU HA H 1 4.154 0.03 . 1 . . . A 44 GLU HA . 18541 1 307 . 1 1 44 44 GLU HB2 H 1 2.097 0.03 . 1 . . . A 44 GLU HB2 . 18541 1 308 . 1 1 44 44 GLU HG2 H 1 2.213 0.03 . 1 . . . A 44 GLU HG2 . 18541 1 309 . 1 1 44 44 GLU CA C 13 57.601 0.3 . 1 . . . A 44 GLU CA . 18541 1 310 . 1 1 44 44 GLU CB C 13 28.660 0.3 . 1 . . . A 44 GLU CB . 18541 1 311 . 1 1 44 44 GLU CG C 13 36.593 0.3 . 1 . . . A 44 GLU CG . 18541 1 312 . 1 1 44 44 GLU N N 15 119.286 0.3 . 1 . . . A 44 GLU N . 18541 1 313 . 1 1 45 45 GLN H H 1 8.168 0.03 . 1 . . . A 45 GLN H . 18541 1 314 . 1 1 45 45 GLN HA H 1 4.573 0.03 . 1 . . . A 45 GLN HA . 18541 1 315 . 1 1 45 45 GLN HB2 H 1 2.097 0.03 . 1 . . . A 45 GLN HB2 . 18541 1 316 . 1 1 45 45 GLN HG2 H 1 2.456 0.03 . 1 . . . A 45 GLN HG2 . 18541 1 317 . 1 1 45 45 GLN HE21 H 1 7.599 0.03 . 1 . . . A 45 GLN HE21 . 18541 1 318 . 1 1 45 45 GLN HE22 H 1 7.016 0.03 . 1 . . . A 45 GLN HE22 . 18541 1 319 . 1 1 45 45 GLN CA C 13 55.331 0.3 . 1 . . . A 45 GLN CA . 18541 1 320 . 1 1 45 45 GLN CB C 13 31.015 0.3 . 1 . . . A 45 GLN CB . 18541 1 321 . 1 1 45 45 GLN CG C 13 34.238 0.3 . 1 . . . A 45 GLN CG . 18541 1 322 . 1 1 45 45 GLN N N 15 120.676 0.3 . 1 . . . A 45 GLN N . 18541 1 323 . 1 1 45 45 GLN NE2 N 15 111.996 0.3 . 1 . . . A 45 GLN NE2 . 18541 1 324 . 1 1 46 46 THR H H 1 8.551 0.03 . 1 . . . A 46 THR H . 18541 1 325 . 1 1 46 46 THR HA H 1 5.492 0.03 . 1 . . . A 46 THR HA . 18541 1 326 . 1 1 46 46 THR HB H 1 3.987 0.03 . 1 . . . A 46 THR HB . 18541 1 327 . 1 1 46 46 THR HG21 H 1 1.132 0.03 . 1 . . . A 46 THR HG1 . 18541 1 328 . 1 1 46 46 THR HG22 H 1 1.132 0.03 . 1 . . . A 46 THR HG1 . 18541 1 329 . 1 1 46 46 THR HG23 H 1 1.132 0.03 . 1 . . . A 46 THR HG1 . 18541 1 330 . 1 1 46 46 THR CA C 13 61.196 0.3 . 1 . . . A 46 THR CA . 18541 1 331 . 1 1 46 46 THR CB C 13 72.010 0.3 . 1 . . . A 46 THR CB . 18541 1 332 . 1 1 46 46 THR CG2 C 13 21.810 0.3 . 1 . . . A 46 THR CG2 . 18541 1 333 . 1 1 46 46 THR N N 15 117.017 0.3 . 1 . . . A 46 THR N . 18541 1 334 . 1 1 47 47 LYS H H 1 9.256 0.03 . 1 . . . A 47 LYS H . 18541 1 335 . 1 1 47 47 LYS HA H 1 4.715 0.03 . 1 . . . A 47 LYS HA . 18541 1 336 . 1 1 47 47 LYS HB2 H 1 1.573 0.03 . 1 . . . A 47 LYS HB2 . 18541 1 337 . 1 1 47 47 LYS HG2 H 1 1.041 0.03 . 1 . . . A 47 LYS HG2 . 18541 1 338 . 1 1 47 47 LYS HD2 H 1 1.055 0.03 . 1 . . . A 47 LYS HD2 . 18541 1 339 . 1 1 47 47 LYS HD3 H 1 1.558 0.03 . 1 . . . A 47 LYS HD3 . 18541 1 340 . 1 1 47 47 LYS HE2 H 1 2.241 0.03 . 1 . . . A 47 LYS HE2 . 18541 1 341 . 1 1 47 47 LYS HE3 H 1 1.724 0.03 . 1 . . . A 47 LYS HE3 . 18541 1 342 . 1 1 47 47 LYS CA C 13 55.060 0.3 . 1 . . . A 47 LYS CA . 18541 1 343 . 1 1 47 47 LYS CB C 13 35.911 0.3 . 1 . . . A 47 LYS CB . 18541 1 344 . 1 1 47 47 LYS CG C 13 24.635 0.3 . 1 . . . A 47 LYS CG . 18541 1 345 . 1 1 47 47 LYS CD C 13 29.404 0.3 . 1 . . . A 47 LYS CD . 18541 1 346 . 1 1 47 47 LYS CE C 13 41.660 0.3 . 1 . . . A 47 LYS CE . 18541 1 347 . 1 1 47 47 LYS N N 15 124.392 0.3 . 1 . . . A 47 LYS N . 18541 1 348 . 1 1 48 48 LYS H H 1 8.526 0.03 . 1 . . . A 48 LYS H . 18541 1 349 . 1 1 48 48 LYS HA H 1 5.031 0.03 . 1 . . . A 48 LYS HA . 18541 1 350 . 1 1 48 48 LYS HB2 H 1 1.659 0.03 . 1 . . . A 48 LYS HB2 . 18541 1 351 . 1 1 48 48 LYS HG2 H 1 1.284 0.03 . 1 . . . A 48 LYS HG2 . 18541 1 352 . 1 1 48 48 LYS HD2 H 1 1.565 0.03 . 1 . . . A 48 LYS HD2 . 18541 1 353 . 1 1 48 48 LYS HE2 H 1 2.917 0.03 . 1 . . . A 48 LYS HE2 . 18541 1 354 . 1 1 48 48 LYS CA C 13 55.370 0.3 . 1 . . . A 48 LYS CA . 18541 1 355 . 1 1 48 48 LYS CB C 13 34.300 0.3 . 1 . . . A 48 LYS CB . 18541 1 356 . 1 1 48 48 LYS CG C 13 25.483 0.3 . 1 . . . A 48 LYS CG . 18541 1 357 . 1 1 48 48 LYS CD C 13 29.187 0.3 . 1 . . . A 48 LYS CD . 18541 1 358 . 1 1 48 48 LYS CE C 13 42.331 0.3 . 1 . . . A 48 LYS CE . 18541 1 359 . 1 1 48 48 LYS N N 15 121.236 0.3 . 1 . . . A 48 LYS N . 18541 1 360 . 1 1 49 49 THR H H 1 8.803 0.03 . 1 . . . A 49 THR H . 18541 1 361 . 1 1 49 49 THR HA H 1 4.708 0.03 . 1 . . . A 49 THR HA . 18541 1 362 . 1 1 49 49 THR HB H 1 4.075 0.03 . 1 . . . A 49 THR HB . 18541 1 363 . 1 1 49 49 THR HG21 H 1 0.997 0.03 . 1 . . . A 49 THR HG21 . 18541 1 364 . 1 1 49 49 THR HG22 H 1 0.997 0.03 . 1 . . . A 49 THR HG22 . 18541 1 365 . 1 1 49 49 THR HG23 H 1 0.997 0.03 . 1 . . . A 49 THR HG23 . 18541 1 366 . 1 1 49 49 THR CA C 13 59.925 0.3 . 1 . . . A 49 THR CA . 18541 1 367 . 1 1 49 49 THR CB C 13 72.010 0.3 . 1 . . . A 49 THR CB . 18541 1 368 . 1 1 49 49 THR CG2 C 13 21.812 0.3 . 1 . . . A 49 THR CG2 . 18541 1 369 . 1 1 49 49 THR N N 15 115.588 0.3 . 1 . . . A 49 THR N . 18541 1 370 . 1 1 50 50 LYS H H 1 8.461 0.03 . 1 . . . A 50 LYS H . 18541 1 371 . 1 1 50 50 LYS HA H 1 4.621 0.03 . 1 . . . A 50 LYS HA . 18541 1 372 . 1 1 50 50 LYS HB2 H 1 1.724 0.03 . 1 . . . A 50 LYS HB2 . 18541 1 373 . 1 1 50 50 LYS HG2 H 1 1.436 0.03 . 1 . . . A 50 LYS HG2 . 18541 1 374 . 1 1 50 50 LYS HD2 H 1 1.652 0.03 . 1 . . . A 50 LYS HD2 . 18541 1 375 . 1 1 50 50 LYS HE2 H 1 2.888 0.03 . 1 . . . A 50 LYS HE2 . 18541 1 376 . 1 1 50 50 LYS CA C 13 57.384 0.3 . 1 . . . A 50 LYS CA . 18541 1 377 . 1 1 50 50 LYS CB C 13 33.215 0.3 . 1 . . . A 50 LYS CB . 18541 1 378 . 1 1 50 50 LYS CG C 13 25.624 0.3 . 1 . . . A 50 LYS CG . 18541 1 379 . 1 1 50 50 LYS CD C 13 28.970 0.3 . 1 . . . A 50 LYS CD . 18541 1 380 . 1 1 50 50 LYS CE C 13 42.303 0.3 . 1 . . . A 50 LYS CE . 18541 1 381 . 1 1 50 50 LYS N N 15 122.458 0.3 . 1 . . . A 50 LYS N . 18541 1 382 . 1 1 51 51 CYS H H 1 8.153 0.03 . 1 . . . A 51 CYS H . 18541 1 383 . 1 1 51 51 CYS HA H 1 4.873 0.03 . 1 . . . A 51 CYS HA . 18541 1 384 . 1 1 51 51 CYS HB3 H 1 3.097 0.03 . 1 . . . A 51 CYS HB3 . 18541 1 385 . 1 1 51 51 CYS CA C 13 55.060 0.3 . 1 . . . A 51 CYS CA . 18541 1 386 . 1 1 51 51 CYS CB C 13 47.407 0.3 . 1 . . . A 51 CYS CB . 18541 1 387 . 1 1 51 51 CYS N N 15 118.659 0.3 . 1 . . . A 51 CYS N . 18541 1 388 . 1 1 52 52 LYS H H 1 8.590 0.03 . 1 . . . A 52 LYS H . 18541 1 389 . 1 1 52 52 LYS HA H 1 4.744 0.03 . 1 . . . A 52 LYS HA . 18541 1 390 . 1 1 52 52 LYS HB2 H 1 1.558 0.03 . 1 . . . A 52 LYS HB2 . 18541 1 391 . 1 1 52 52 LYS HG2 H 1 1.141 0.03 . 1 . . . A 52 LYS HG2 . 18541 1 392 . 1 1 52 52 LYS HD2 H 1 1.551 0.03 . 1 . . . A 52 LYS HD2 . 18541 1 393 . 1 1 52 52 LYS HD3 H 1 1.501 0.03 . 1 . . . A 52 LYS HD3 . 18541 1 394 . 1 1 52 52 LYS CA C 13 55.804 0.3 . 1 . . . A 52 LYS CA . 18541 1 395 . 1 1 52 52 LYS CB C 13 36.314 0.3 . 1 . . . A 52 LYS CB . 18541 1 396 . 1 1 52 52 LYS CG C 13 25.159 0.3 . 1 . . . A 52 LYS CG . 18541 1 397 . 1 1 52 52 LYS CD C 13 29.280 0.3 . 1 . . . A 52 LYS CD . 18541 1 398 . 1 1 52 52 LYS N N 15 120.840 0.3 . 1 . . . A 52 LYS N . 18541 1 399 . 1 1 53 53 VAL H H 1 8.627 0.03 . 1 . . . A 53 VAL H . 18541 1 400 . 1 1 53 53 VAL HA H 1 4.463 0.03 . 1 . . . A 53 VAL HA . 18541 1 401 . 1 1 53 53 VAL HB H 1 1.788 0.03 . 1 . . . A 53 VAL HB . 18541 1 402 . 1 1 53 53 VAL HG11 H 1 0.717 0.03 . 1 . . . A 53 VAL HG11 . 18541 1 403 . 1 1 53 53 VAL HG12 H 1 0.717 0.03 . 1 . . . A 53 VAL HG12 . 18541 1 404 . 1 1 53 53 VAL HG13 H 1 0.717 0.03 . 1 . . . A 53 VAL HG13 . 18541 1 405 . 1 1 53 53 VAL HG21 H 1 1.048 0.03 . 1 . . . A 53 VAL HG21 . 18541 1 406 . 1 1 53 53 VAL HG22 H 1 1.048 0.03 . 1 . . . A 53 VAL HG22 . 18541 1 407 . 1 1 53 53 VAL HG23 H 1 1.048 0.03 . 1 . . . A 53 VAL HG23 . 18541 1 408 . 1 1 53 53 VAL CA C 13 59.213 0.3 . 1 . . . A 53 VAL CA . 18541 1 409 . 1 1 53 53 VAL CB C 13 34.889 0.3 . 1 . . . A 53 VAL CB . 18541 1 410 . 1 1 53 53 VAL CG1 C 13 22.123 0.3 . 1 . . . A 53 VAL CG1 . 18541 1 411 . 1 1 53 53 VAL CG2 C 13 20.232 0.3 . 1 . . . A 53 VAL CG2 . 18541 1 412 . 1 1 53 53 VAL N N 15 126.695 0.3 . 1 . . . A 53 VAL N . 18541 1 413 . 1 1 54 54 PRO HA H 1 4.327 0.03 . 1 . . . A 54 PRO HA . 18541 1 414 . 1 1 54 54 PRO HB2 H 1 1.846 0.03 . 1 . . . A 54 PRO HB2 . 18541 1 415 . 1 1 54 54 PRO HB3 H 1 2.213 0.03 . 1 . . . A 54 PRO HB3 . 18541 1 416 . 1 1 54 54 PRO HG2 H 1 1.871 0.03 . 1 . . . A 54 PRO HG2 . 18541 1 417 . 1 1 54 54 PRO HG3 H 1 1.342 0.03 . 1 . . . A 54 PRO HG3 . 18541 1 418 . 1 1 54 54 PRO HD3 H 1 3.813 0.03 . 1 . . . A 54 PRO HD3 . 18541 1 419 . 1 1 54 54 PRO CA C 13 63.427 0.3 . 1 . . . A 54 PRO CA . 18541 1 420 . 1 1 54 54 PRO CB C 13 32.306 0.3 . 1 . . . A 54 PRO CB . 18541 1 421 . 1 1 54 54 PRO CG C 13 27.544 0.3 . 1 . . . A 54 PRO CG . 18541 1 422 . 1 1 54 54 PRO CD C 13 51.141 0.3 . 1 . . . A 54 PRO CD . 18541 1 423 . 1 1 55 55 CYS H H 1 8.066 0.03 . 1 . . . A 55 CYS H . 18541 1 424 . 1 1 55 55 CYS HA H 1 4.586 0.03 . 1 . . . A 55 CYS HA . 18541 1 425 . 1 1 55 55 CYS HB2 H 1 1.795 0.03 . 1 . . . A 55 CYS HB2 . 18541 1 426 . 1 1 55 55 CYS CA C 13 54.306 0.3 . 1 . . . A 55 CYS CA . 18541 1 427 . 1 1 55 55 CYS CB C 13 31.635 0.3 . 1 . . . A 55 CYS CB . 18541 1 428 . 1 1 55 55 CYS N N 15 120.797 0.3 . 1 . . . A 55 CYS N . 18541 1 429 . 1 1 56 56 ASN HA H 1 4.607 0.03 . 1 . . . A 56 ASN HA . 18541 1 430 . 1 1 56 56 ASN HB2 H 1 2.730 0.03 . 1 . . . A 56 ASN HB2 . 18541 1 431 . 1 1 56 56 ASN HD21 H 1 7.578 0.03 . 1 . . . A 56 ASN HD21 . 18541 1 432 . 1 1 56 56 ASN HD22 H 1 6.817 0.03 . 1 . . . A 56 ASN HD22 . 18541 1 433 . 1 1 56 56 ASN CA C 13 53.356 0.3 . 1 . . . A 56 ASN CA . 18541 1 434 . 1 1 56 56 ASN CB C 13 38.576 0.3 . 1 . . . A 56 ASN CB . 18541 1 435 . 1 1 56 56 ASN N N 15 112.710 0.3 . 1 . . . A 56 ASN N . 18541 1 436 . 1 1 57 57 TRP H H 1 7.927 0.03 . 1 . . . A 57 TRP H . 18541 1 437 . 1 1 57 57 TRP HA H 1 4.607 0.03 . 1 . . . A 57 TRP HA . 18541 1 438 . 1 1 57 57 TRP HB2 H 1 3.255 0.03 . 1 . . . A 57 TRP HB2 . 18541 1 439 . 1 1 57 57 TRP HD1 H 1 7.282 0.03 . 1 . . . A 57 TRP HD1 . 18541 1 440 . 1 1 57 57 TRP HE1 H 1 10.223 0.03 . 1 . . . A 57 TRP HE1 . 18541 1 441 . 1 1 57 57 TRP HE3 H 1 7.570 0.03 . 1 . . . A 57 TRP HE3 . 18541 1 442 . 1 1 57 57 TRP HZ2 H 1 7.491 0.03 . 1 . . . A 57 TRP HZ2 . 18541 1 443 . 1 1 57 57 TRP HZ3 H 1 7.074 0.03 . 1 . . . A 57 TRP HZ3 . 18541 1 444 . 1 1 57 57 TRP HH2 H 1 7.160 0.03 . 1 . . . A 57 TRP HH2 . 18541 1 445 . 1 1 57 57 TRP CA C 13 57.260 0.3 . 1 . . . A 57 TRP CA . 18541 1 446 . 1 1 57 57 TRP CB C 13 29.311 0.3 . 1 . . . A 57 TRP CB . 18541 1 447 . 1 1 57 57 TRP CD1 C 13 127.380 0.3 . 1 . . . A 57 TRP CD1 . 18541 1 448 . 1 1 57 57 TRP CE3 C 13 121.002 0.3 . 1 . . . A 57 TRP CE3 . 18541 1 449 . 1 1 57 57 TRP CZ2 C 13 114.625 0.3 . 1 . . . A 57 TRP CZ2 . 18541 1 450 . 1 1 57 57 TRP CZ3 C 13 122.200 0.3 . 1 . . . A 57 TRP CZ3 . 18541 1 451 . 1 1 57 57 TRP CH2 C 13 124.706 0.3 . 1 . . . A 57 TRP CH2 . 18541 1 452 . 1 1 57 57 TRP N N 15 120.732 0.3 . 1 . . . A 57 TRP N . 18541 1 453 . 1 1 57 57 TRP NE1 N 15 129.976 0.3 . 1 . . . A 57 TRP NE1 . 18541 1 454 . 1 1 58 58 LYS H H 1 7.821 0.03 . 1 . . . A 58 LYS H . 18541 1 455 . 1 1 58 58 LYS HA H 1 4.089 0.03 . 1 . . . A 58 LYS HA . 18541 1 456 . 1 1 58 58 LYS HB2 H 1 1.450 0.03 . 1 . . . A 58 LYS HB2 . 18541 1 457 . 1 1 58 58 LYS HB3 H 1 1.587 0.03 . 1 . . . A 58 LYS HB3 . 18541 1 458 . 1 1 58 58 LYS HG2 H 1 0.969 0.03 . 1 . . . A 58 LYS HG2 . 18541 1 459 . 1 1 58 58 LYS HD2 H 1 1.537 0.03 . 1 . . . A 58 LYS HD2 . 18541 1 460 . 1 1 58 58 LYS HE2 H 1 2.853 0.03 . 1 . . . A 58 LYS HE2 . 18541 1 461 . 1 1 58 58 LYS CA C 13 56.331 0.3 . 1 . . . A 58 LYS CA . 18541 1 462 . 1 1 58 58 LYS CB C 13 32.937 0.3 . 1 . . . A 58 LYS CB . 18541 1 463 . 1 1 58 58 LYS CG C 13 24.663 0.3 . 1 . . . A 58 LYS CG . 18541 1 464 . 1 1 58 58 LYS CD C 13 29.218 0.3 . 1 . . . A 58 LYS CD . 18541 1 465 . 1 1 58 58 LYS CE C 13 42.247 0.3 . 1 . . . A 58 LYS CE . 18541 1 466 . 1 1 58 58 LYS N N 15 122.398 0.3 . 1 . . . A 58 LYS N . 18541 1 467 . 1 1 59 59 LYS H H 1 7.975 0.03 . 1 . . . A 59 LYS H . 18541 1 468 . 1 1 59 59 LYS HA H 1 4.082 0.03 . 1 . . . A 59 LYS HA . 18541 1 469 . 1 1 59 59 LYS HB2 H 1 1.630 0.03 . 1 . . . A 59 LYS HB2 . 18541 1 470 . 1 1 59 59 LYS HG2 H 1 1.227 0.03 . 1 . . . A 59 LYS HG2 . 18541 1 471 . 1 1 59 59 LYS HD2 H 1 1.558 0.03 . 1 . . . A 59 LYS HD2 . 18541 1 472 . 1 1 59 59 LYS CA C 13 56.517 0.3 . 1 . . . A 59 LYS CA . 18541 1 473 . 1 1 59 59 LYS CB C 13 32.968 0.3 . 1 . . . A 59 LYS CB . 18541 1 474 . 1 1 59 59 LYS CG C 13 24.663 0.3 . 1 . . . A 59 LYS CG . 18541 1 475 . 1 1 59 59 LYS CD C 13 28.939 0.3 . 1 . . . A 59 LYS CD . 18541 1 476 . 1 1 59 59 LYS N N 15 121.847 0.3 . 1 . . . A 59 LYS N . 18541 1 477 . 1 1 60 60 ASP H H 1 8.176 0.03 . 1 . . . A 60 ASP H . 18541 1 478 . 1 1 60 60 ASP HA H 1 4.542 0.03 . 1 . . . A 60 ASP HA . 18541 1 479 . 1 1 60 60 ASP HB2 H 1 2.565 0.03 . 1 . . . A 60 ASP HB2 . 18541 1 480 . 1 1 60 60 ASP CA C 13 54.317 0.3 . 1 . . . A 60 ASP CA . 18541 1 481 . 1 1 60 60 ASP CB C 13 41.427 0.3 . 1 . . . A 60 ASP CB . 18541 1 482 . 1 1 60 60 ASP N N 15 120.319 0.3 . 1 . . . A 60 ASP N . 18541 1 483 . 1 1 61 61 PHE H H 1 8.011 0.03 . 1 . . . A 61 PHE H . 18541 1 484 . 1 1 61 61 PHE HA H 1 4.621 0.03 . 1 . . . A 61 PHE HA . 18541 1 485 . 1 1 61 61 PHE HB2 H 1 3.104 0.03 . 1 . . . A 61 PHE HB2 . 18541 1 486 . 1 1 61 61 PHE HD1 H 1 7.304 0.03 . 1 . . . A 61 PHE HD1 . 18541 1 487 . 1 1 61 61 PHE HE1 H 1 7.376 0.03 . 1 . . . A 61 PHE HE1 . 18541 1 488 . 1 1 61 61 PHE HZ H 1 7.295 0.03 . 1 . . . A 61 PHE HZ . 18541 1 489 . 1 1 61 61 PHE CA C 13 57.973 0.3 . 1 . . . A 61 PHE CA . 18541 1 490 . 1 1 61 61 PHE CB C 13 39.722 0.3 . 1 . . . A 61 PHE CB . 18541 1 491 . 1 1 61 61 PHE CD2 C 13 132.142 0.3 . 1 . . . A 61 PHE CD2 . 18541 1 492 . 1 1 61 61 PHE CE2 C 13 131.696 0.3 . 1 . . . A 61 PHE CE2 . 18541 1 493 . 1 1 61 61 PHE CZ C 13 129.889 0.3 . 1 . . . A 61 PHE CZ . 18541 1 494 . 1 1 61 61 PHE N N 15 119.988 0.3 . 1 . . . A 61 PHE N . 18541 1 495 . 1 1 62 62 GLY H H 1 8.397 0.03 . 1 . . . A 62 GLY H . 18541 1 496 . 1 1 62 62 GLY HA2 H 1 3.931 0.03 . 1 . . . A 62 GLY HA2 . 18541 1 497 . 1 1 62 62 GLY CA C 13 45.982 0.3 . 1 . . . A 62 GLY CA . 18541 1 498 . 1 1 62 62 GLY N N 15 109.961 0.3 . 1 . . . A 62 GLY N . 18541 1 499 . 1 1 63 63 ALA H H 1 8.202 0.03 . 1 . . . A 63 ALA H . 18541 1 500 . 1 1 63 63 ALA HA H 1 4.240 0.03 . 1 . . . A 63 ALA HA . 18541 1 501 . 1 1 63 63 ALA HB1 H 1 1.364 0.03 . 1 . . . A 63 ALA HB1 . 18541 1 502 . 1 1 63 63 ALA HB2 H 1 1.364 0.03 . 1 . . . A 63 ALA HB2 . 18541 1 503 . 1 1 63 63 ALA HB3 H 1 1.364 0.03 . 1 . . . A 63 ALA HB3 . 18541 1 504 . 1 1 63 63 ALA CA C 13 53.325 0.3 . 1 . . . A 63 ALA CA . 18541 1 505 . 1 1 63 63 ALA CB C 13 19.458 0.3 . 1 . . . A 63 ALA CB . 18541 1 506 . 1 1 63 63 ALA N N 15 123.587 0.3 . 1 . . . A 63 ALA N . 18541 1 507 . 1 1 64 64 ASP H H 1 8.214 0.03 . 1 . . . A 64 ASP H . 18541 1 508 . 1 1 64 64 ASP HA H 1 4.614 0.03 . 1 . . . A 64 ASP HA . 18541 1 509 . 1 1 64 64 ASP HB2 H 1 2.867 0.03 . 1 . . . A 64 ASP HB2 . 18541 1 510 . 1 1 64 64 ASP HB3 H 1 2.573 0.03 . 1 . . . A 64 ASP HB3 . 18541 1 511 . 1 1 64 64 ASP CA C 13 54.968 0.3 . 1 . . . A 64 ASP CA . 18541 1 512 . 1 1 64 64 ASP CB C 13 41.736 0.3 . 1 . . . A 64 ASP CB . 18541 1 513 . 1 1 64 64 ASP N N 15 116.871 0.3 . 1 . . . A 64 ASP N . 18541 1 514 . 1 1 65 65 CYS H H 1 7.668 0.03 . 1 . . . A 65 CYS H . 18541 1 515 . 1 1 65 65 CYS HA H 1 4.658 0.03 . 1 . . . A 65 CYS HA . 18541 1 516 . 1 1 65 65 CYS HB2 H 1 3.011 0.03 . 1 . . . A 65 CYS HB2 . 18541 1 517 . 1 1 65 65 CYS HB3 H 1 2.702 0.03 . 1 . . . A 65 CYS HB3 . 18541 1 518 . 1 1 65 65 CYS CA C 13 53.526 0.3 . 1 . . . A 65 CYS CA . 18541 1 519 . 1 1 65 65 CYS CB C 13 41.489 0.3 . 1 . . . A 65 CYS CB . 18541 1 520 . 1 1 65 65 CYS N N 15 118.304 0.3 . 1 . . . A 65 CYS N . 18541 1 521 . 1 1 66 66 LYS H H 1 8.142 0.03 . 1 . . . A 66 LYS H . 18541 1 522 . 1 1 66 66 LYS HA H 1 4.673 0.03 . 1 . . . A 66 LYS HA . 18541 1 523 . 1 1 66 66 LYS HB2 H 1 1.652 0.03 . 1 . . . A 66 LYS HB2 . 18541 1 524 . 1 1 66 66 LYS HG2 H 1 1.271 0.03 . 1 . . . A 66 LYS HG2 . 18541 1 525 . 1 1 66 66 LYS HD2 H 1 1.565 0.03 . 1 . . . A 66 LYS HD2 . 18541 1 526 . 1 1 66 66 LYS HE2 H 1 2.939 0.03 . 1 . . . A 66 LYS HE2 . 18541 1 527 . 1 1 66 66 LYS CA C 13 53.905 0.3 . 1 . . . A 66 LYS CA . 18541 1 528 . 1 1 66 66 LYS CB C 13 33.525 0.3 . 1 . . . A 66 LYS CB . 18541 1 529 . 1 1 66 66 LYS CG C 13 24.446 0.3 . 1 . . . A 66 LYS CG . 18541 1 530 . 1 1 66 66 LYS CD C 13 28.753 0.3 . 1 . . . A 66 LYS CD . 18541 1 531 . 1 1 66 66 LYS CE C 13 42.294 0.3 . 1 . . . A 66 LYS CE . 18541 1 532 . 1 1 66 66 LYS N N 15 122.833 0.3 . 1 . . . A 66 LYS N . 18541 1 533 . 1 1 67 67 TYR H H 1 8.715 0.03 . 1 . . . A 67 TYR H . 18541 1 534 . 1 1 67 67 TYR HA H 1 4.406 0.03 . 1 . . . A 67 TYR HA . 18541 1 535 . 1 1 67 67 TYR HB2 H 1 1.939 0.03 . 1 . . . A 67 TYR HB2 . 18541 1 536 . 1 1 67 67 TYR HB3 H 1 1.429 0.03 . 1 . . . A 67 TYR HB3 . 18541 1 537 . 1 1 67 67 TYR HD1 H 1 6.383 0.03 . 1 . . . A 67 TYR HD1 . 18541 1 538 . 1 1 67 67 TYR HE1 H 1 6.450 0.03 . 1 . . . A 67 TYR HE1 . 18541 1 539 . 1 1 67 67 TYR CA C 13 58.364 0.3 . 1 . . . A 67 TYR CA . 18541 1 540 . 1 1 67 67 TYR CB C 13 42.170 0.3 . 1 . . . A 67 TYR CB . 18541 1 541 . 1 1 67 67 TYR CD1 C 13 132.520 0.3 . 1 . . . A 67 TYR CD1 . 18541 1 542 . 1 1 67 67 TYR CE1 C 13 117.987 0.3 . 1 . . . A 67 TYR CE1 . 18541 1 543 . 1 1 67 67 TYR N N 15 121.505 0.3 . 1 . . . A 67 TYR N . 18541 1 544 . 1 1 68 68 LYS H H 1 8.588 0.03 . 1 . . . A 68 LYS H . 18541 1 545 . 1 1 68 68 LYS HA H 1 4.521 0.03 . 1 . . . A 68 LYS HA . 18541 1 546 . 1 1 68 68 LYS HB2 H 1 1.465 0.03 . 1 . . . A 68 LYS HB2 . 18541 1 547 . 1 1 68 68 LYS HB3 H 1 1.745 0.03 . 1 . . . A 68 LYS HB3 . 18541 1 548 . 1 1 68 68 LYS HG2 H 1 1.206 0.03 . 1 . . . A 68 LYS HG2 . 18541 1 549 . 1 1 68 68 LYS HG3 H 1 1.285 0.03 . 1 . . . A 68 LYS HG3 . 18541 1 550 . 1 1 68 68 LYS HD2 H 1 1.573 0.03 . 1 . . . A 68 LYS HD2 . 18541 1 551 . 1 1 68 68 LYS CA C 13 54.751 0.3 . 1 . . . A 68 LYS CA . 18541 1 552 . 1 1 68 68 LYS CB C 13 33.928 0.3 . 1 . . . A 68 LYS CB . 18541 1 553 . 1 1 68 68 LYS CG C 13 25.004 0.3 . 1 . . . A 68 LYS CG . 18541 1 554 . 1 1 68 68 LYS CD C 13 28.784 0.3 . 1 . . . A 68 LYS CD . 18541 1 555 . 1 1 68 68 LYS N N 15 121.296 0.3 . 1 . . . A 68 LYS N . 18541 1 556 . 1 1 69 69 PHE H H 1 9.196 0.03 . 1 . . . A 69 PHE H . 18541 1 557 . 1 1 69 69 PHE HA H 1 5.154 0.03 . 1 . . . A 69 PHE HA . 18541 1 558 . 1 1 69 69 PHE HB2 H 1 2.723 0.03 . 1 . . . A 69 PHE HB2 . 18541 1 559 . 1 1 69 69 PHE HD1 H 1 6.907 0.03 . 1 . . . A 69 PHE HD1 . 18541 1 560 . 1 1 69 69 PHE HE1 H 1 7.010 0.03 . 1 . . . A 69 PHE HE1 . 18541 1 561 . 1 1 69 69 PHE HZ H 1 7.027 0.03 . 1 . . . A 69 PHE HZ . 18541 1 562 . 1 1 69 69 PHE CA C 13 58.593 0.3 . 1 . . . A 69 PHE CA . 18541 1 563 . 1 1 69 69 PHE CB C 13 41.643 0.3 . 1 . . . A 69 PHE CB . 18541 1 564 . 1 1 69 69 PHE CD1 C 13 131.474 0.3 . 1 . . . A 69 PHE CD1 . 18541 1 565 . 1 1 69 69 PHE CE1 C 13 131.234 0.3 . 1 . . . A 69 PHE CE1 . 18541 1 566 . 1 1 69 69 PHE CZ C 13 129.834 0.3 . 1 . . . A 69 PHE CZ . 18541 1 567 . 1 1 69 69 PHE N N 15 126.618 0.3 . 1 . . . A 69 PHE N . 18541 1 568 . 1 1 70 70 GLY H H 1 8.356 0.03 . 1 . . . A 70 GLY H . 18541 1 569 . 1 1 70 70 GLY HA2 H 1 4.384 0.03 . 1 . . . A 70 GLY HA2 . 18541 1 570 . 1 1 70 70 GLY HA3 H 1 3.852 0.03 . 1 . . . A 70 GLY HA3 . 18541 1 571 . 1 1 70 70 GLY CA C 13 43.662 0.3 . 1 . . . A 70 GLY CA . 18541 1 572 . 1 1 70 70 GLY N N 15 108.695 0.3 . 1 . . . A 70 GLY N . 18541 1 573 . 1 1 71 71 ARG H H 1 8.393 0.03 . 1 . . . A 71 ARG H . 18541 1 574 . 1 1 71 71 ARG HA H 1 4.197 0.03 . 1 . . . A 71 ARG HA . 18541 1 575 . 1 1 71 71 ARG HB2 H 1 1.714 0.03 . 1 . . . A 71 ARG HB2 . 18541 1 576 . 1 1 71 71 ARG HB3 H 1 1.781 0.03 . 1 . . . A 71 ARG HB3 . 18541 1 577 . 1 1 71 71 ARG HG2 H 1 1.680 0.03 . 1 . . . A 71 ARG HG2 . 18541 1 578 . 1 1 71 71 ARG HD2 H 1 3.176 0.03 . 1 . . . A 71 ARG HD2 . 18541 1 579 . 1 1 71 71 ARG CA C 13 55.990 0.3 . 1 . . . A 71 ARG CA . 18541 1 580 . 1 1 71 71 ARG CB C 13 31.046 0.3 . 1 . . . A 71 ARG CB . 18541 1 581 . 1 1 71 71 ARG CG C 13 27.452 0.3 . 1 . . . A 71 ARG CG . 18541 1 582 . 1 1 71 71 ARG CD C 13 43.596 0.3 . 1 . . . A 71 ARG CD . 18541 1 583 . 1 1 71 71 ARG N N 15 118.371 0.3 . 1 . . . A 71 ARG N . 18541 1 584 . 1 1 72 72 TRP H H 1 8.447 0.03 . 1 . . . A 72 TRP H . 18541 1 585 . 1 1 72 72 TRP HA H 1 4.370 0.03 . 1 . . . A 72 TRP HA . 18541 1 586 . 1 1 72 72 TRP HB2 H 1 3.116 0.03 . 1 . . . A 72 TRP HB2 . 18541 1 587 . 1 1 72 72 TRP HD1 H 1 7.419 0.03 . 1 . . . A 72 TRP HD1 . 18541 1 588 . 1 1 72 72 TRP HE1 H 1 10.345 0.03 . 1 . . . A 72 TRP HE1 . 18541 1 589 . 1 1 72 72 TRP HE3 H 1 7.110 0.03 . 1 . . . A 72 TRP HE3 . 18541 1 590 . 1 1 72 72 TRP HZ2 H 1 7.225 0.03 . 1 . . . A 72 TRP HZ2 . 18541 1 591 . 1 1 72 72 TRP HZ3 H 1 6.960 0.03 . 1 . . . A 72 TRP HZ3 . 18541 1 592 . 1 1 72 72 TRP HH2 H 1 6.721 0.03 . 1 . . . A 72 TRP HH2 . 18541 1 593 . 1 1 72 72 TRP CA C 13 58.500 0.3 . 1 . . . A 72 TRP CA . 18541 1 594 . 1 1 72 72 TRP CB C 13 29.650 0.3 . 1 . . . A 72 TRP CB . 18541 1 595 . 1 1 72 72 TRP CD1 C 13 128.828 0.3 . 1 . . . A 72 TRP CD1 . 18541 1 596 . 1 1 72 72 TRP CE3 C 13 119.357 0.3 . 1 . . . A 72 TRP CE3 . 18541 1 597 . 1 1 72 72 TRP CZ2 C 13 114.802 0.3 . 1 . . . A 72 TRP CZ2 . 18541 1 598 . 1 1 72 72 TRP CZ3 C 13 122.811 0.3 . 1 . . . A 72 TRP CZ3 . 18541 1 599 . 1 1 72 72 TRP CH2 C 13 123.756 0.3 . 1 . . . A 72 TRP CH2 . 18541 1 600 . 1 1 72 72 TRP N N 15 122.001 0.3 . 1 . . . A 72 TRP N . 18541 1 601 . 1 1 72 72 TRP NE1 N 15 130.647 0.3 . 1 . . . A 72 TRP NE1 . 18541 1 602 . 1 1 73 73 ALA H H 1 8.858 0.03 . 1 . . . A 73 ALA H . 18541 1 603 . 1 1 73 73 ALA HA H 1 4.528 0.03 . 1 . . . A 73 ALA HA . 18541 1 604 . 1 1 73 73 ALA HB1 H 1 1.724 0.03 . 1 . . . A 73 ALA HB1 . 18541 1 605 . 1 1 73 73 ALA HB2 H 1 1.724 0.03 . 1 . . . A 73 ALA HB2 . 18541 1 606 . 1 1 73 73 ALA HB3 H 1 1.724 0.03 . 1 . . . A 73 ALA HB3 . 18541 1 607 . 1 1 73 73 ALA CA C 13 51.311 0.3 . 1 . . . A 73 ALA CA . 18541 1 608 . 1 1 73 73 ALA CB C 13 20.201 0.3 . 1 . . . A 73 ALA CB . 18541 1 609 . 1 1 73 73 ALA N N 15 126.678 0.3 . 1 . . . A 73 ALA N . 18541 1 610 . 1 1 74 74 GLU H H 1 8.376 0.03 . 1 . . . A 74 GLU H . 18541 1 611 . 1 1 74 74 GLU HA H 1 4.133 0.03 . 1 . . . A 74 GLU HA . 18541 1 612 . 1 1 74 74 GLU HB2 H 1 1.961 0.03 . 1 . . . A 74 GLU HB2 . 18541 1 613 . 1 1 74 74 GLU HG2 H 1 2.364 0.03 . 1 . . . A 74 GLU HG2 . 18541 1 614 . 1 1 74 74 GLU CA C 13 56.548 0.3 . 1 . . . A 74 GLU CA . 18541 1 615 . 1 1 74 74 GLU CB C 13 30.179 0.3 . 1 . . . A 74 GLU CB . 18541 1 616 . 1 1 74 74 GLU CG C 13 36.438 0.3 . 1 . . . A 74 GLU CG . 18541 1 617 . 1 1 74 74 GLU N N 15 117.404 0.3 . 1 . . . A 74 GLU N . 18541 1 618 . 1 1 75 75 CYS H H 1 8.853 0.03 . 1 . . . A 75 CYS H . 18541 1 619 . 1 1 75 75 CYS HA H 1 4.118 0.03 . 1 . . . A 75 CYS HA . 18541 1 620 . 1 1 75 75 CYS HB2 H 1 2.838 0.03 . 1 . . . A 75 CYS HB2 . 18541 1 621 . 1 1 75 75 CYS HB3 H 1 3.758 0.03 . 1 . . . A 75 CYS HB3 . 18541 1 622 . 1 1 75 75 CYS CA C 13 57.361 0.3 . 1 . . . A 75 CYS CA . 18541 1 623 . 1 1 75 75 CYS CB C 13 41.364 0.3 . 1 . . . A 75 CYS CB . 18541 1 624 . 1 1 75 75 CYS N N 15 120.341 0.3 . 1 . . . A 75 CYS N . 18541 1 625 . 1 1 76 76 ASP H H 1 8.726 0.03 . 1 . . . A 76 ASP H . 18541 1 626 . 1 1 76 76 ASP HA H 1 4.801 0.03 . 1 . . . A 76 ASP HA . 18541 1 627 . 1 1 76 76 ASP HB2 H 1 3.255 0.03 . 1 . . . A 76 ASP HB2 . 18541 1 628 . 1 1 76 76 ASP HB3 H 1 2.658 0.03 . 1 . . . A 76 ASP HB3 . 18541 1 629 . 1 1 76 76 ASP CA C 13 53.201 0.3 . 1 . . . A 76 ASP CA . 18541 1 630 . 1 1 76 76 ASP CB C 13 41.984 0.3 . 1 . . . A 76 ASP CB . 18541 1 631 . 1 1 76 76 ASP N N 15 131.518 0.3 . 1 . . . A 76 ASP N . 18541 1 632 . 1 1 77 77 THR H H 1 8.724 0.03 . 1 . . . A 77 THR H . 18541 1 633 . 1 1 77 77 THR HA H 1 3.924 0.03 . 1 . . . A 77 THR HA . 18541 1 634 . 1 1 77 77 THR HB H 1 4.305 0.03 . 1 . . . A 77 THR HB . 18541 1 635 . 1 1 77 77 THR HG21 H 1 1.220 0.03 . 1 . . . A 77 THR HG1 . 18541 1 636 . 1 1 77 77 THR HG22 H 1 1.220 0.03 . 1 . . . A 77 THR HG1 . 18541 1 637 . 1 1 77 77 THR HG23 H 1 1.220 0.03 . 1 . . . A 77 THR HG1 . 18541 1 638 . 1 1 77 77 THR CA C 13 64.883 0.3 . 1 . . . A 77 THR CA . 18541 1 639 . 1 1 77 77 THR CB C 13 68.756 0.3 . 1 . . . A 77 THR CB . 18541 1 640 . 1 1 77 77 THR CG2 C 13 22.432 0.3 . 1 . . . A 77 THR CG2 . 18541 1 641 . 1 1 77 77 THR N N 15 119.686 0.3 . 1 . . . A 77 THR N . 18541 1 642 . 1 1 78 78 THR H H 1 8.547 0.03 . 1 . . . A 78 THR H . 18541 1 643 . 1 1 78 78 THR HA H 1 4.161 0.03 . 1 . . . A 78 THR HA . 18541 1 644 . 1 1 78 78 THR HB H 1 4.319 0.03 . 1 . . . A 78 THR HB . 18541 1 645 . 1 1 78 78 THR HG21 H 1 1.199 0.03 . 1 . . . A 78 THR HG21 . 18541 1 646 . 1 1 78 78 THR HG22 H 1 1.199 0.03 . 1 . . . A 78 THR HG22 . 18541 1 647 . 1 1 78 78 THR HG23 H 1 1.199 0.03 . 1 . . . A 78 THR HG23 . 18541 1 648 . 1 1 78 78 THR CA C 13 65.658 0.3 . 1 . . . A 78 THR CA . 18541 1 649 . 1 1 78 78 THR CB C 13 68.725 0.3 . 1 . . . A 78 THR CB . 18541 1 650 . 1 1 78 78 THR CG2 C 13 22.153 0.3 . 1 . . . A 78 THR CG2 . 18541 1 651 . 1 1 78 78 THR N N 15 116.273 0.3 . 1 . . . A 78 THR N . 18541 1 652 . 1 1 79 79 THR H H 1 7.432 0.03 . 1 . . . A 79 THR H . 18541 1 653 . 1 1 79 79 THR HA H 1 4.406 0.03 . 1 . . . A 79 THR HA . 18541 1 654 . 1 1 79 79 THR HB H 1 4.276 0.03 . 1 . . . A 79 THR HB . 18541 1 655 . 1 1 79 79 THR HG21 H 1 1.134 0.03 . 1 . . . A 79 THR HG21 . 18541 1 656 . 1 1 79 79 THR HG22 H 1 1.134 0.03 . 1 . . . A 79 THR HG22 . 18541 1 657 . 1 1 79 79 THR HG23 H 1 1.134 0.03 . 1 . . . A 79 THR HG23 . 18541 1 658 . 1 1 79 79 THR CA C 13 62.125 0.3 . 1 . . . A 79 THR CA . 18541 1 659 . 1 1 79 79 THR CB C 13 70.832 0.3 . 1 . . . A 79 THR CB . 18541 1 660 . 1 1 79 79 THR CG2 C 13 21.750 0.3 . 1 . . . A 79 THR CG2 . 18541 1 661 . 1 1 79 79 THR N N 15 130.898 0.3 . 1 . . . A 79 THR N . 18541 1 662 . 1 1 80 80 GLY H H 1 8.711 0.03 . 1 . . . A 80 GLY H . 18541 1 663 . 1 1 80 80 GLY HA2 H 1 4.003 0.03 . 1 . . . A 80 GLY HA2 . 18541 1 664 . 1 1 80 80 GLY HA3 H 1 3.687 0.03 . 1 . . . A 80 GLY HA3 . 18541 1 665 . 1 1 80 80 GLY CA C 13 47.345 0.3 . 1 . . . A 80 GLY CA . 18541 1 666 . 1 1 80 80 GLY N N 15 112.475 0.3 . 1 . . . A 80 GLY N . 18541 1 667 . 1 1 81 81 THR H H 1 7.379 0.03 . 1 . . . A 81 THR H . 18541 1 668 . 1 1 81 81 THR HA H 1 5.118 0.03 . 1 . . . A 81 THR HA . 18541 1 669 . 1 1 81 81 THR HB H 1 3.938 0.03 . 1 . . . A 81 THR HB . 18541 1 670 . 1 1 81 81 THR HG21 H 1 0.954 0.03 . 1 . . . A 81 THR HG1 . 18541 1 671 . 1 1 81 81 THR HG22 H 1 0.954 0.03 . 1 . . . A 81 THR HG1 . 18541 1 672 . 1 1 81 81 THR HG23 H 1 0.954 0.03 . 1 . . . A 81 THR HG1 . 18541 1 673 . 1 1 81 81 THR CA C 13 59.677 0.3 . 1 . . . A 81 THR CA . 18541 1 674 . 1 1 81 81 THR CB C 13 73.590 0.3 . 1 . . . A 81 THR CB . 18541 1 675 . 1 1 81 81 THR CG2 C 13 21.750 0.3 . 1 . . . A 81 THR CG2 . 18541 1 676 . 1 1 81 81 THR N N 15 108.061 0.3 . 1 . . . A 81 THR N . 18541 1 677 . 1 1 82 82 ARG H H 1 9.104 0.03 . 1 . . . A 82 ARG H . 18541 1 678 . 1 1 82 82 ARG HA H 1 4.974 0.03 . 1 . . . A 82 ARG HA . 18541 1 679 . 1 1 82 82 ARG HB2 H 1 1.557 0.03 . 1 . . . A 82 ARG HB2 . 18541 1 680 . 1 1 82 82 ARG HB3 H 1 1.788 0.03 . 1 . . . A 82 ARG HB3 . 18541 1 681 . 1 1 82 82 ARG HG2 H 1 1.508 0.03 . 1 . . . A 82 ARG HG2 . 18541 1 682 . 1 1 82 82 ARG HG3 H 1 1.277 0.03 . 1 . . . A 82 ARG HG3 . 18541 1 683 . 1 1 82 82 ARG HD2 H 1 2.745 0.03 . 1 . . . A 82 ARG HD2 . 18541 1 684 . 1 1 82 82 ARG CA C 13 54.379 0.3 . 1 . . . A 82 ARG CA . 18541 1 685 . 1 1 82 82 ARG CB C 13 34.269 0.3 . 1 . . . A 82 ARG CB . 18541 1 686 . 1 1 82 82 ARG CG C 13 27.050 0.3 . 1 . . . A 82 ARG CG . 18541 1 687 . 1 1 82 82 ARG CD C 13 44.168 0.3 . 1 . . . A 82 ARG CD . 18541 1 688 . 1 1 82 82 ARG N N 15 119.002 0.3 . 1 . . . A 82 ARG N . 18541 1 689 . 1 1 83 83 SER H H 1 7.789 0.03 . 1 . . . A 83 SER H . 18541 1 690 . 1 1 83 83 SER HA H 1 6.189 0.03 . 1 . . . A 83 SER HA . 18541 1 691 . 1 1 83 83 SER HB2 H 1 3.821 0.03 . 1 . . . A 83 SER HB2 . 18541 1 692 . 1 1 83 83 SER HB3 H 1 3.730 0.03 . 1 . . . A 83 SER HB3 . 18541 1 693 . 1 1 83 83 SER CA C 13 57.756 0.3 . 1 . . . A 83 SER CA . 18541 1 694 . 1 1 83 83 SER CB C 13 67.579 0.3 . 1 . . . A 83 SER CB . 18541 1 695 . 1 1 83 83 SER N N 15 114.615 0.3 . 1 . . . A 83 SER N . 18541 1 696 . 1 1 84 84 ARG H H 1 8.771 0.03 . 1 . . . A 84 ARG H . 18541 1 697 . 1 1 84 84 ARG HA H 1 4.657 0.03 . 1 . . . A 84 ARG HA . 18541 1 698 . 1 1 84 84 ARG HB2 H 1 0.997 0.03 . 1 . . . A 84 ARG HB2 . 18541 1 699 . 1 1 84 84 ARG HB3 H 1 0.778 0.03 . 1 . . . A 84 ARG HB3 . 18541 1 700 . 1 1 84 84 ARG HG2 H 1 1.644 0.03 . 1 . . . A 84 ARG HG2 . 18541 1 701 . 1 1 84 84 ARG HD2 H 1 3.644 0.03 . 1 . . . A 84 ARG HD2 . 18541 1 702 . 1 1 84 84 ARG CA C 13 54.441 0.3 . 1 . . . A 84 ARG CA . 18541 1 703 . 1 1 84 84 ARG CB C 13 33.308 0.3 . 1 . . . A 84 ARG CB . 18541 1 704 . 1 1 84 84 ARG CG C 13 29.131 0.3 . 1 . . . A 84 ARG CG . 18541 1 705 . 1 1 84 84 ARG CD C 13 43.751 0.3 . 1 . . . A 84 ARG CD . 18541 1 706 . 1 1 84 84 ARG N N 15 119.058 0.3 . 1 . . . A 84 ARG N . 18541 1 707 . 1 1 85 85 SER H H 1 8.887 0.03 . 1 . . . A 85 SER H . 18541 1 708 . 1 1 85 85 SER HA H 1 5.427 0.03 . 1 . . . A 85 SER HA . 18541 1 709 . 1 1 85 85 SER HB2 H 1 3.715 0.03 . 1 . . . A 85 SER HB2 . 18541 1 710 . 1 1 85 85 SER CA C 13 57.199 0.3 . 1 . . . A 85 SER CA . 18541 1 711 . 1 1 85 85 SER CB C 13 65.534 0.3 . 1 . . . A 85 SER CB . 18541 1 712 . 1 1 85 85 SER N N 15 116.177 0.3 . 1 . . . A 85 SER N . 18541 1 713 . 1 1 86 86 GLY H H 1 8.962 0.03 . 1 . . . A 86 GLY H . 18541 1 714 . 1 1 86 86 GLY HA2 H 1 4.823 0.03 . 1 . . . A 86 GLY HA2 . 18541 1 715 . 1 1 86 86 GLY HA3 H 1 2.443 0.03 . 1 . . . A 86 GLY HA3 . 18541 1 716 . 1 1 86 86 GLY CA C 13 44.742 0.3 . 1 . . . A 86 GLY CA . 18541 1 717 . 1 1 86 86 GLY N N 15 110.779 0.3 . 1 . . . A 86 GLY N . 18541 1 718 . 1 1 87 87 THR H H 1 8.323 0.03 . 1 . . . A 87 THR H . 18541 1 719 . 1 1 87 87 THR HA H 1 5.031 0.03 . 1 . . . A 87 THR HA . 18541 1 720 . 1 1 87 87 THR HB H 1 3.924 0.03 . 1 . . . A 87 THR HB . 18541 1 721 . 1 1 87 87 THR HG21 H 1 1.155 0.03 . 1 . . . A 87 THR HG21 . 18541 1 722 . 1 1 87 87 THR HG22 H 1 1.155 0.03 . 1 . . . A 87 THR HG22 . 18541 1 723 . 1 1 87 87 THR HG23 H 1 1.155 0.03 . 1 . . . A 87 THR HG23 . 18541 1 724 . 1 1 87 87 THR CA C 13 60.545 0.3 . 1 . . . A 87 THR CA . 18541 1 725 . 1 1 87 87 THR CB C 13 71.390 0.3 . 1 . . . A 87 THR CB . 18541 1 726 . 1 1 87 87 THR CG2 C 13 21.595 0.3 . 1 . . . A 87 THR CG2 . 18541 1 727 . 1 1 87 87 THR N N 15 115.919 0.3 . 1 . . . A 87 THR N . 18541 1 728 . 1 1 88 88 LEU H H 1 8.710 0.03 . 1 . . . A 88 LEU H . 18541 1 729 . 1 1 88 88 LEU HA H 1 3.428 0.03 . 1 . . . A 88 LEU HA . 18541 1 730 . 1 1 88 88 LEU HB2 H 1 1.594 0.03 . 1 . . . A 88 LEU HB2 . 18541 1 731 . 1 1 88 88 LEU HG H 1 1.141 0.03 . 1 . . . A 88 LEU HG . 18541 1 732 . 1 1 88 88 LEU HD11 H 1 0.278 0.03 . 1 . . . A 88 LEU HD11 . 18541 1 733 . 1 1 88 88 LEU HD12 H 1 0.278 0.03 . 1 . . . A 88 LEU HD12 . 18541 1 734 . 1 1 88 88 LEU HD13 H 1 0.278 0.03 . 1 . . . A 88 LEU HD13 . 18541 1 735 . 1 1 88 88 LEU HD21 H 1 0.559 0.03 . 1 . . . A 88 LEU HD21 . 18541 1 736 . 1 1 88 88 LEU HD22 H 1 0.559 0.03 . 1 . . . A 88 LEU HD22 . 18541 1 737 . 1 1 88 88 LEU HD23 H 1 0.559 0.03 . 1 . . . A 88 LEU HD23 . 18541 1 738 . 1 1 88 88 LEU CA C 13 56.641 0.3 . 1 . . . A 88 LEU CA . 18541 1 739 . 1 1 88 88 LEU CB C 13 43.348 0.3 . 1 . . . A 88 LEU CB . 18541 1 740 . 1 1 88 88 LEU CG C 13 26.708 0.3 . 1 . . . A 88 LEU CG . 18541 1 741 . 1 1 88 88 LEU CD1 C 13 22.618 0.3 . 1 . . . A 88 LEU CD1 . 18541 1 742 . 1 1 88 88 LEU CD2 C 13 26.708 0.3 . 1 . . . A 88 LEU CD2 . 18541 1 743 . 1 1 88 88 LEU N N 15 129.597 0.3 . 1 . . . A 88 LEU N . 18541 1 744 . 1 1 89 89 LYS H H 1 8.921 0.03 . 1 . . . A 89 LYS H . 18541 1 745 . 1 1 89 89 LYS HA H 1 4.248 0.03 . 1 . . . A 89 LYS HA . 18541 1 746 . 1 1 89 89 LYS HB2 H 1 1.493 0.03 . 1 . . . A 89 LYS HB2 . 18541 1 747 . 1 1 89 89 LYS HG2 H 1 1.199 0.03 . 1 . . . A 89 LYS HG2 . 18541 1 748 . 1 1 89 89 LYS HD2 H 1 1.573 0.03 . 1 . . . A 89 LYS HD2 . 18541 1 749 . 1 1 89 89 LYS HE2 H 1 2.946 0.03 . 1 . . . A 89 LYS HE2 . 18541 1 750 . 1 1 89 89 LYS CA C 13 56.207 0.3 . 1 . . . A 89 LYS CA . 18541 1 751 . 1 1 89 89 LYS CB C 13 33.618 0.3 . 1 . . . A 89 LYS CB . 18541 1 752 . 1 1 89 89 LYS CG C 13 25.066 0.3 . 1 . . . A 89 LYS CG . 18541 1 753 . 1 1 89 89 LYS CD C 13 28.970 0.3 . 1 . . . A 89 LYS CD . 18541 1 754 . 1 1 89 89 LYS CE C 13 42.356 0.3 . 1 . . . A 89 LYS CE . 18541 1 755 . 1 1 89 89 LYS N N 15 127.345 0.3 . 1 . . . A 89 LYS N . 18541 1 756 . 1 1 90 90 LYS H H 1 7.632 0.03 . 1 . . . A 90 LYS H . 18541 1 757 . 1 1 90 90 LYS HA H 1 4.140 0.03 . 1 . . . A 90 LYS HA . 18541 1 758 . 1 1 90 90 LYS HB2 H 1 1.573 0.03 . 1 . . . A 90 LYS HB2 . 18541 1 759 . 1 1 90 90 LYS HG2 H 1 1.199 0.03 . 1 . . . A 90 LYS HG2 . 18541 1 760 . 1 1 90 90 LYS HD2 H 1 1.565 0.03 . 1 . . . A 90 LYS HD2 . 18541 1 761 . 1 1 90 90 LYS HE2 H 1 2.853 0.03 . 1 . . . A 90 LYS HE2 . 18541 1 762 . 1 1 90 90 LYS CA C 13 56.548 0.3 . 1 . . . A 90 LYS CA . 18541 1 763 . 1 1 90 90 LYS CB C 13 34.610 0.3 . 1 . . . A 90 LYS CB . 18541 1 764 . 1 1 90 90 LYS CG C 13 24.787 0.3 . 1 . . . A 90 LYS CG . 18541 1 765 . 1 1 90 90 LYS CD C 13 29.125 0.3 . 1 . . . A 90 LYS CD . 18541 1 766 . 1 1 90 90 LYS CE C 13 42.294 0.3 . 1 . . . A 90 LYS CE . 18541 1 767 . 1 1 90 90 LYS N N 15 119.544 0.3 . 1 . . . A 90 LYS N . 18541 1 768 . 1 1 91 91 ALA H H 1 8.349 0.03 . 1 . . . A 91 ALA H . 18541 1 769 . 1 1 91 91 ALA HA H 1 4.729 0.03 . 1 . . . A 91 ALA HA . 18541 1 770 . 1 1 91 91 ALA HB1 H 1 1.227 0.03 . 1 . . . A 91 ALA HB1 . 18541 1 771 . 1 1 91 91 ALA HB2 H 1 1.227 0.03 . 1 . . . A 91 ALA HB2 . 18541 1 772 . 1 1 91 91 ALA HB3 H 1 1.227 0.03 . 1 . . . A 91 ALA HB3 . 18541 1 773 . 1 1 91 91 ALA CA C 13 51.063 0.3 . 1 . . . A 91 ALA CA . 18541 1 774 . 1 1 91 91 ALA CB C 13 21.410 0.3 . 1 . . . A 91 ALA CB . 18541 1 775 . 1 1 91 91 ALA N N 15 127.513 0.3 . 1 . . . A 91 ALA N . 18541 1 776 . 1 1 92 92 LEU H H 1 8.461 0.03 . 1 . . . A 92 LEU H . 18541 1 777 . 1 1 92 92 LEU HA H 1 4.183 0.03 . 1 . . . A 92 LEU HA . 18541 1 778 . 1 1 92 92 LEU HB2 H 1 1.526 0.03 . 1 . . . A 92 LEU HB2 . 18541 1 779 . 1 1 92 92 LEU HB3 H 1 1.156 0.03 . 1 . . . A 92 LEU HB3 . 18541 1 780 . 1 1 92 92 LEU HG H 1 1.407 0.03 . 1 . . . A 92 LEU HG . 18541 1 781 . 1 1 92 92 LEU HD11 H 1 0.774 0.03 . 1 . . . A 92 LEU HD11 . 18541 1 782 . 1 1 92 92 LEU HD12 H 1 0.774 0.03 . 1 . . . A 92 LEU HD12 . 18541 1 783 . 1 1 92 92 LEU HD13 H 1 0.774 0.03 . 1 . . . A 92 LEU HD13 . 18541 1 784 . 1 1 92 92 LEU HD21 H 1 0.674 0.03 . 1 . . . A 92 LEU HD21 . 18541 1 785 . 1 1 92 92 LEU HD22 H 1 0.674 0.03 . 1 . . . A 92 LEU HD22 . 18541 1 786 . 1 1 92 92 LEU HD23 H 1 0.674 0.03 . 1 . . . A 92 LEU HD23 . 18541 1 787 . 1 1 92 92 LEU CA C 13 54.918 0.3 . 1 . . . A 92 LEU CA . 18541 1 788 . 1 1 92 92 LEU CB C 13 42.697 0.3 . 1 . . . A 92 LEU CB . 18541 1 789 . 1 1 92 92 LEU CG C 13 27.700 0.3 . 1 . . . A 92 LEU CG . 18541 1 790 . 1 1 92 92 LEU CD1 C 13 25.438 0.3 . 1 . . . A 92 LEU CD1 . 18541 1 791 . 1 1 92 92 LEU CD2 C 13 23.393 0.3 . 1 . . . A 92 LEU CD2 . 18541 1 792 . 1 1 92 92 LEU N N 15 122.705 0.3 . 1 . . . A 92 LEU N . 18541 1 793 . 1 1 93 93 PHE H H 1 8.265 0.03 . 1 . . . A 93 PHE H . 18541 1 794 . 1 1 93 93 PHE HA H 1 4.312 0.03 . 1 . . . A 93 PHE HA . 18541 1 795 . 1 1 93 93 PHE HB2 H 1 3.090 0.03 . 1 . . . A 93 PHE HB2 . 18541 1 796 . 1 1 93 93 PHE HD1 H 1 7.167 0.03 . 1 . . . A 93 PHE HD1 . 18541 1 797 . 1 1 93 93 PHE HE1 H 1 7.256 0.03 . 1 . . . A 93 PHE HE1 . 18541 1 798 . 1 1 93 93 PHE HZ H 1 7.220 0.03 . 1 . . . A 93 PHE HZ . 18541 1 799 . 1 1 93 93 PHE CA C 13 58.345 0.3 . 1 . . . A 93 PHE CA . 18541 1 800 . 1 1 93 93 PHE CB C 13 37.987 0.3 . 1 . . . A 93 PHE CB . 18541 1 801 . 1 1 93 93 PHE CD1 C 13 132.392 0.3 . 1 . . . A 93 PHE CD1 . 18541 1 802 . 1 1 93 93 PHE CE1 C 13 131.404 0.3 . 1 . . . A 93 PHE CE1 . 18541 1 803 . 1 1 93 93 PHE CZ C 13 129.643 0.3 . 1 . . . A 93 PHE CZ . 18541 1 804 . 1 1 93 93 PHE N N 15 117.486 0.3 . 1 . . . A 93 PHE N . 18541 1 805 . 1 1 94 94 ASN H H 1 8.298 0.03 . 1 . . . A 94 ASN H . 18541 1 806 . 1 1 94 94 ASN HA H 1 4.442 0.03 . 1 . . . A 94 ASN HA . 18541 1 807 . 1 1 94 94 ASN HB2 H 1 2.802 0.03 . 1 . . . A 94 ASN HB2 . 18541 1 808 . 1 1 94 94 ASN HD21 H 1 7.488 0.03 . 1 . . . A 94 ASN HD21 . 18541 1 809 . 1 1 94 94 ASN HD22 H 1 6.838 0.03 . 1 . . . A 94 ASN HD22 . 18541 1 810 . 1 1 94 94 ASN CA C 13 53.418 0.3 . 1 . . . A 94 ASN CA . 18541 1 811 . 1 1 94 94 ASN CB C 13 38.297 0.3 . 1 . . . A 94 ASN CB . 18541 1 812 . 1 1 94 94 ASN N N 15 116.556 0.3 . 1 . . . A 94 ASN N . 18541 1 813 . 1 1 94 94 ASN ND2 N 15 112.399 0.3 . 1 . . . A 94 ASN ND2 . 18541 1 814 . 1 1 95 95 ALA H H 1 7.807 0.03 . 1 . . . A 95 ALA H . 18541 1 815 . 1 1 95 95 ALA HA H 1 4.104 0.03 . 1 . . . A 95 ALA HA . 18541 1 816 . 1 1 95 95 ALA HB1 H 1 1.350 0.03 . 1 . . . A 95 ALA HB1 . 18541 1 817 . 1 1 95 95 ALA HB2 H 1 1.350 0.03 . 1 . . . A 95 ALA HB2 . 18541 1 818 . 1 1 95 95 ALA HB3 H 1 1.350 0.03 . 1 . . . A 95 ALA HB3 . 18541 1 819 . 1 1 95 95 ALA CA C 13 53.263 0.3 . 1 . . . A 95 ALA CA . 18541 1 820 . 1 1 95 95 ALA CB C 13 20.325 0.3 . 1 . . . A 95 ALA CB . 18541 1 821 . 1 1 95 95 ALA N N 15 122.303 0.3 . 1 . . . A 95 ALA N . 18541 1 822 . 1 1 96 96 GLU H H 1 8.273 0.03 . 1 . . . A 96 GLU H . 18541 1 823 . 1 1 96 96 GLU HA H 1 4.291 0.03 . 1 . . . A 96 GLU HA . 18541 1 824 . 1 1 96 96 GLU HB2 H 1 1.925 0.03 . 1 . . . A 96 GLU HB2 . 18541 1 825 . 1 1 96 96 GLU HG2 H 1 2.148 0.03 . 1 . . . A 96 GLU HG2 . 18541 1 826 . 1 1 96 96 GLU CA C 13 55.928 0.3 . 1 . . . A 96 GLU CA . 18541 1 827 . 1 1 96 96 GLU CB C 13 29.435 0.3 . 1 . . . A 96 GLU CB . 18541 1 828 . 1 1 96 96 GLU CG C 13 36.345 0.3 . 1 . . . A 96 GLU CG . 18541 1 829 . 1 1 96 96 GLU N N 15 120.053 0.3 . 1 . . . A 96 GLU N . 18541 1 830 . 1 1 97 97 CYS H H 1 7.959 0.03 . 1 . . . A 97 CYS H . 18541 1 831 . 1 1 97 97 CYS HA H 1 4.816 0.03 . 1 . . . A 97 CYS HA . 18541 1 832 . 1 1 97 97 CYS HB2 H 1 2.572 0.03 . 1 . . . A 97 CYS HB2 . 18541 1 833 . 1 1 97 97 CYS HB3 H 1 2.888 0.03 . 1 . . . A 97 CYS HB3 . 18541 1 834 . 1 1 97 97 CYS CA C 13 53.759 0.3 . 1 . . . A 97 CYS CA . 18541 1 835 . 1 1 97 97 CYS CB C 13 44.030 0.3 . 1 . . . A 97 CYS CB . 18541 1 836 . 1 1 97 97 CYS N N 15 121.322 0.3 . 1 . . . A 97 CYS N . 18541 1 837 . 1 1 98 98 GLN H H 1 8.795 0.03 . 1 . . . A 98 GLN H . 18541 1 838 . 1 1 98 98 GLN HA H 1 4.363 0.03 . 1 . . . A 98 GLN HA . 18541 1 839 . 1 1 98 98 GLN HB2 H 1 1.860 0.03 . 1 . . . A 98 GLN HB2 . 18541 1 840 . 1 1 98 98 GLN HB3 H 1 2.191 0.03 . 1 . . . A 98 GLN HB3 . 18541 1 841 . 1 1 98 98 GLN HG2 H 1 2.457 0.03 . 1 . . . A 98 GLN HG2 . 18541 1 842 . 1 1 98 98 GLN HE21 H 1 7.757 0.03 . 1 . . . A 98 GLN HE21 . 18541 1 843 . 1 1 98 98 GLN HE22 H 1 6.948 0.03 . 1 . . . A 98 GLN HE22 . 18541 1 844 . 1 1 98 98 GLN CA C 13 55.928 0.3 . 1 . . . A 98 GLN CA . 18541 1 845 . 1 1 98 98 GLN CB C 13 29.249 0.3 . 1 . . . A 98 GLN CB . 18541 1 846 . 1 1 98 98 GLN CG C 13 34.331 0.3 . 1 . . . A 98 GLN CG . 18541 1 847 . 1 1 98 98 GLN N N 15 123.105 0.3 . 1 . . . A 98 GLN N . 18541 1 848 . 1 1 98 98 GLN NE2 N 15 113.112 0.3 . 1 . . . A 98 GLN NE2 . 18541 1 849 . 1 1 99 99 THR H H 1 8.988 0.03 . 1 . . . A 99 THR H . 18541 1 850 . 1 1 99 99 THR HA H 1 3.989 0.03 . 1 . . . A 99 THR HA . 18541 1 851 . 1 1 99 99 THR HB H 1 4.291 0.03 . 1 . . . A 99 THR HB . 18541 1 852 . 1 1 99 99 THR HG21 H 1 1.292 0.03 . 1 . . . A 99 THR HG21 . 18541 1 853 . 1 1 99 99 THR HG22 H 1 1.292 0.03 . 1 . . . A 99 THR HG22 . 18541 1 854 . 1 1 99 99 THR HG23 H 1 1.292 0.03 . 1 . . . A 99 THR HG23 . 18541 1 855 . 1 1 99 99 THR CA C 13 66.556 0.3 . 1 . . . A 99 THR CA . 18541 1 856 . 1 1 99 99 THR CB C 13 68.942 0.3 . 1 . . . A 99 THR CB . 18541 1 857 . 1 1 99 99 THR CG2 C 13 22.773 0.3 . 1 . . . A 99 THR CG2 . 18541 1 858 . 1 1 99 99 THR N N 15 119.299 0.3 . 1 . . . A 99 THR N . 18541 1 859 . 1 1 100 100 THR H H 1 7.637 0.03 . 1 . . . A 100 THR H . 18541 1 860 . 1 1 100 100 THR HA H 1 5.305 0.03 . 1 . . . A 100 THR HA . 18541 1 861 . 1 1 100 100 THR HB H 1 3.996 0.03 . 1 . . . A 100 THR HB . 18541 1 862 . 1 1 100 100 THR HG21 H 1 1.148 0.03 . 1 . . . A 100 THR HG21 . 18541 1 863 . 1 1 100 100 THR HG22 H 1 1.148 0.03 . 1 . . . A 100 THR HG22 . 18541 1 864 . 1 1 100 100 THR HG23 H 1 1.148 0.03 . 1 . . . A 100 THR HG23 . 18541 1 865 . 1 1 100 100 THR CA C 13 60.235 0.3 . 1 . . . A 100 THR CA . 18541 1 866 . 1 1 100 100 THR CB C 13 72.010 0.3 . 1 . . . A 100 THR CB . 18541 1 867 . 1 1 100 100 THR CG2 C 13 21.812 0.3 . 1 . . . A 100 THR CG2 . 18541 1 868 . 1 1 100 100 THR N N 15 112.875 0.3 . 1 . . . A 100 THR N . 18541 1 869 . 1 1 101 101 ILE H H 1 8.230 0.03 . 1 . . . A 101 ILE H . 18541 1 870 . 1 1 101 101 ILE HA H 1 4.528 0.03 . 1 . . . A 101 ILE HA . 18541 1 871 . 1 1 101 101 ILE HB H 1 1.242 0.03 . 1 . . . A 101 ILE HB . 18541 1 872 . 1 1 101 101 ILE HG12 H 1 0.724 0.03 . 1 . . . A 101 ILE HG12 . 18541 1 873 . 1 1 101 101 ILE HG13 H 1 0.0049 0.03 . 1 . . . A 101 ILE HG13 . 18541 1 874 . 1 1 101 101 ILE HG21 H 1 0.192 0.03 . 1 . . . A 101 ILE HG21 . 18541 1 875 . 1 1 101 101 ILE HG22 H 1 0.192 0.03 . 1 . . . A 101 ILE HG22 . 18541 1 876 . 1 1 101 101 ILE HG23 H 1 0.192 0.03 . 1 . . . A 101 ILE HG23 . 18541 1 877 . 1 1 101 101 ILE HD11 H 1 0.0480 0.03 . 1 . . . A 101 ILE HD11 . 18541 1 878 . 1 1 101 101 ILE HD12 H 1 0.0480 0.03 . 1 . . . A 101 ILE HD12 . 18541 1 879 . 1 1 101 101 ILE HD13 H 1 0.0480 0.03 . 1 . . . A 101 ILE HD13 . 18541 1 880 . 1 1 101 101 ILE CA C 13 59.368 0.3 . 1 . . . A 101 ILE CA . 18541 1 881 . 1 1 101 101 ILE CB C 13 42.914 0.3 . 1 . . . A 101 ILE CB . 18541 1 882 . 1 1 101 101 ILE CG1 C 13 26.057 0.3 . 1 . . . A 101 ILE CG1 . 18541 1 883 . 1 1 101 101 ILE CG2 C 13 17.691 0.3 . 1 . . . A 101 ILE CG2 . 18541 1 884 . 1 1 101 101 ILE CD1 C 13 14.004 0.3 . 1 . . . A 101 ILE CD1 . 18541 1 885 . 1 1 101 101 ILE N N 15 117.887 0.3 . 1 . . . A 101 ILE N . 18541 1 886 . 1 1 102 102 LYS H H 1 8.252 0.03 . 1 . . . A 102 LYS H . 18541 1 887 . 1 1 102 102 LYS HA H 1 5.103 0.03 . 1 . . . A 102 LYS HA . 18541 1 888 . 1 1 102 102 LYS HB2 H 1 1.630 0.03 . 1 . . . A 102 LYS HB2 . 18541 1 889 . 1 1 102 102 LYS HG2 H 1 1.263 0.03 . 1 . . . A 102 LYS HG2 . 18541 1 890 . 1 1 102 102 LYS HD2 H 1 1.565 0.03 . 1 . . . A 102 LYS HD2 . 18541 1 891 . 1 1 102 102 LYS HE2 H 1 2.948 0.03 . 1 . . . A 102 LYS HE2 . 18541 1 892 . 1 1 102 102 LYS CA C 13 55.463 0.3 . 1 . . . A 102 LYS CA . 18541 1 893 . 1 1 102 102 LYS CB C 13 35.106 0.3 . 1 . . . A 102 LYS CB . 18541 1 894 . 1 1 102 102 LYS CG C 13 25.004 0.3 . 1 . . . A 102 LYS CG . 18541 1 895 . 1 1 102 102 LYS CD C 13 29.342 0.3 . 1 . . . A 102 LYS CD . 18541 1 896 . 1 1 102 102 LYS CE C 13 42.350 0.3 . 1 . . . A 102 LYS CE . 18541 1 897 . 1 1 102 102 LYS N N 15 123.694 0.3 . 1 . . . A 102 LYS N . 18541 1 898 . 1 1 103 103 VAL H H 1 8.688 0.03 . 1 . . . A 103 VAL H . 18541 1 899 . 1 1 103 103 VAL HA H 1 4.672 0.03 . 1 . . . A 103 VAL HA . 18541 1 900 . 1 1 103 103 VAL HB H 1 1.961 0.03 . 1 . . . A 103 VAL HB . 18541 1 901 . 1 1 103 103 VAL HG11 H 1 0.875 0.03 . 1 . . . A 103 VAL HG11 . 18541 1 902 . 1 1 103 103 VAL HG12 H 1 0.875 0.03 . 1 . . . A 103 VAL HG12 . 18541 1 903 . 1 1 103 103 VAL HG13 H 1 0.875 0.03 . 1 . . . A 103 VAL HG13 . 18541 1 904 . 1 1 103 103 VAL HG21 H 1 0.580 0.03 . 1 . . . A 103 VAL HG21 . 18541 1 905 . 1 1 103 103 VAL HG22 H 1 0.580 0.03 . 1 . . . A 103 VAL HG22 . 18541 1 906 . 1 1 103 103 VAL HG23 H 1 0.580 0.03 . 1 . . . A 103 VAL HG23 . 18541 1 907 . 1 1 103 103 VAL CA C 13 60.142 0.3 . 1 . . . A 103 VAL CA . 18541 1 908 . 1 1 103 103 VAL CB C 13 35.044 0.3 . 1 . . . A 103 VAL CB . 18541 1 909 . 1 1 103 103 VAL CG1 C 13 21.968 0.3 . 1 . . . A 103 VAL CG1 . 18541 1 910 . 1 1 103 103 VAL CG2 C 13 20.697 0.3 . 1 . . . A 103 VAL CG2 . 18541 1 911 . 1 1 103 103 VAL N N 15 121.227 0.3 . 1 . . . A 103 VAL N . 18541 1 912 . 1 1 104 104 SER H H 1 8.511 0.03 . 1 . . . A 104 SER H . 18541 1 913 . 1 1 104 104 SER HA H 1 6.031 0.03 . 1 . . . A 104 SER HA . 18541 1 914 . 1 1 104 104 SER HB2 H 1 3.651 0.03 . 1 . . . A 104 SER HB2 . 18541 1 915 . 1 1 104 104 SER HB3 H 1 3.736 0.03 . 1 . . . A 104 SER HB3 . 18541 1 916 . 1 1 104 104 SER CA C 13 56.982 0.3 . 1 . . . A 104 SER CA . 18541 1 917 . 1 1 104 104 SER CB C 13 67.176 0.3 . 1 . . . A 104 SER CB . 18541 1 918 . 1 1 104 104 SER N N 15 116.121 0.3 . 1 . . . A 104 SER N . 18541 1 919 . 1 1 105 105 LYS H H 1 8.962 0.03 . 1 . . . A 105 LYS H . 18541 1 920 . 1 1 105 105 LYS HA H 1 4.938 0.03 . 1 . . . A 105 LYS HA . 18541 1 921 . 1 1 105 105 LYS HB2 H 1 1.443 0.03 . 1 . . . A 105 LYS HB2 . 18541 1 922 . 1 1 105 105 LYS HB3 H 1 1.480 0.03 . 1 . . . A 105 LYS HB3 . 18541 1 923 . 1 1 105 105 LYS HG2 H 1 0.595 0.03 . 1 . . . A 105 LYS HG2 . 18541 1 924 . 1 1 105 105 LYS HG3 H 1 0.782 0.03 . 1 . . . A 105 LYS HG3 . 18541 1 925 . 1 1 105 105 LYS HD2 H 1 1.084 0.03 . 1 . . . A 105 LYS HD2 . 18541 1 926 . 1 1 105 105 LYS HD3 H 1 0.783 0.03 . 1 . . . A 105 LYS HD3 . 18541 1 927 . 1 1 105 105 LYS HE2 H 1 2.816 0.03 . 1 . . . A 105 LYS HE2 . 18541 1 928 . 1 1 105 105 LYS CA C 13 53.790 0.3 . 1 . . . A 105 LYS CA . 18541 1 929 . 1 1 105 105 LYS CB C 13 34.331 0.3 . 1 . . . A 105 LYS CB . 18541 1 930 . 1 1 105 105 LYS CG C 13 23.362 0.3 . 1 . . . A 105 LYS CG . 18541 1 931 . 1 1 105 105 LYS CD C 13 29.493 0.3 . 1 . . . A 105 LYS CD . 18541 1 932 . 1 1 105 105 LYS CE C 13 42.030 0.3 . 1 . . . A 105 LYS CE . 18541 1 933 . 1 1 105 105 LYS N N 15 121.189 0.3 . 1 . . . A 105 LYS N . 18541 1 934 . 1 1 106 106 PRO HA H 1 4.751 0.03 . 1 . . . A 106 PRO HA . 18541 1 935 . 1 1 106 106 PRO HB2 H 1 2.371 0.03 . 1 . . . A 106 PRO HB2 . 18541 1 936 . 1 1 106 106 PRO HB3 H 1 1.745 0.03 . 1 . . . A 106 PRO HB3 . 18541 1 937 . 1 1 106 106 PRO HG2 H 1 1.939 0.03 . 1 . . . A 106 PRO HG2 . 18541 1 938 . 1 1 106 106 PRO HD2 H 1 3.744 0.03 . 1 . . . A 106 PRO HD2 . 18541 1 939 . 1 1 106 106 PRO HD3 H 1 3.450 0.03 . 1 . . . A 106 PRO HD3 . 18541 1 940 . 1 1 106 106 PRO CA C 13 62.776 0.3 . 1 . . . A 106 PRO CA . 18541 1 941 . 1 1 106 106 PRO CB C 13 32.379 0.3 . 1 . . . A 106 PRO CB . 18541 1 942 . 1 1 106 106 PRO CG C 13 27.376 0.3 . 1 . . . A 106 PRO CG . 18541 1 943 . 1 1 106 106 PRO CD C 13 50.778 0.3 . 1 . . . A 106 PRO CD . 18541 1 944 . 1 1 107 107 CYS H H 1 8.162 0.03 . 1 . . . A 107 CYS H . 18541 1 945 . 1 1 107 107 CYS HA H 1 4.506 0.03 . 1 . . . A 107 CYS HA . 18541 1 946 . 1 1 107 107 CYS HB2 H 1 3.075 0.03 . 1 . . . A 107 CYS HB2 . 18541 1 947 . 1 1 107 107 CYS HB3 H 1 2.978 0.03 . 1 . . . A 107 CYS HB3 . 18541 1 948 . 1 1 107 107 CYS CA C 13 55.948 0.3 . 1 . . . A 107 CYS CA . 18541 1 949 . 1 1 107 107 CYS CB C 13 45.021 0.3 . 1 . . . A 107 CYS CB . 18541 1 950 . 1 1 107 107 CYS N N 15 117.900 0.3 . 1 . . . A 107 CYS N . 18541 1 951 . 1 1 108 108 THR H H 1 8.154 0.03 . 1 . . . A 108 THR H . 18541 1 952 . 1 1 108 108 THR HA H 1 4.521 0.03 . 1 . . . A 108 THR HA . 18541 1 953 . 1 1 108 108 THR HB H 1 4.082 0.03 . 1 . . . A 108 THR HB . 18541 1 954 . 1 1 108 108 THR HG21 H 1 1.184 0.03 . 1 . . . A 108 THR HG1 . 18541 1 955 . 1 1 108 108 THR HG22 H 1 1.184 0.03 . 1 . . . A 108 THR HG1 . 18541 1 956 . 1 1 108 108 THR HG23 H 1 1.184 0.03 . 1 . . . A 108 THR HG1 . 18541 1 957 . 1 1 108 108 THR CA C 13 59.863 0.3 . 1 . . . A 108 THR CA . 18541 1 958 . 1 1 108 108 THR CB C 13 69.965 0.3 . 1 . . . A 108 THR CB . 18541 1 959 . 1 1 108 108 THR CG2 C 13 21.695 0.3 . 1 . . . A 108 THR CG2 . 18541 1 960 . 1 1 108 108 THR N N 15 118.432 0.3 . 1 . . . A 108 THR N . 18541 1 961 . 1 1 109 109 PRO HA H 1 4.276 0.03 . 1 . . . A 109 PRO HA . 18541 1 962 . 1 1 109 109 PRO HB2 H 1 2.169 0.03 . 1 . . . A 109 PRO HB2 . 18541 1 963 . 1 1 109 109 PRO HB3 H 1 1.853 0.03 . 1 . . . A 109 PRO HB3 . 18541 1 964 . 1 1 109 109 PRO HG3 H 1 1.867 0.03 . 1 . . . A 109 PRO HG3 . 18541 1 965 . 1 1 109 109 PRO HD2 H 1 3.655 0.03 . 1 . . . A 109 PRO HD2 . 18541 1 966 . 1 1 109 109 PRO HD3 H 1 3.811 0.03 . 1 . . . A 109 PRO HD3 . 18541 1 967 . 1 1 109 109 PRO CA C 13 63.217 0.3 . 1 . . . A 109 PRO CA . 18541 1 968 . 1 1 109 109 PRO CB C 13 32.476 0.3 . 1 . . . A 109 PRO CB . 18541 1 969 . 1 1 109 109 PRO CG C 13 27.432 0.3 . 1 . . . A 109 PRO CG . 18541 1 970 . 1 1 109 109 PRO CD C 13 51.305 0.3 . 1 . . . A 109 PRO CD . 18541 1 971 . 1 1 110 110 LYS H H 1 8.526 0.03 . 1 . . . A 110 LYS H . 18541 1 972 . 1 1 110 110 LYS N N 15 122.383 0.3 . 1 . . . A 110 LYS N . 18541 1 973 . 1 1 112 112 PRO HA H 1 4.377 0.03 . 1 . . . A 112 PRO HA . 18541 1 974 . 1 1 112 112 PRO HB2 H 1 2.234 0.03 . 1 . . . A 112 PRO HB2 . 18541 1 975 . 1 1 112 112 PRO CA C 13 63.055 0.3 . 1 . . . A 112 PRO CA . 18541 1 976 . 1 1 112 112 PRO CB C 13 32.286 0.3 . 1 . . . A 112 PRO CB . 18541 1 977 . 1 1 113 113 LYS H H 1 8.410 0.03 . 1 . . . A 113 LYS H . 18541 1 978 . 1 1 113 113 LYS HA H 1 4.521 0.03 . 1 . . . A 113 LYS HA . 18541 1 979 . 1 1 113 113 LYS HB2 H 1 1.716 0.03 . 1 . . . A 113 LYS HB2 . 18541 1 980 . 1 1 113 113 LYS HG2 H 1 1.436 0.03 . 1 . . . A 113 LYS HG2 . 18541 1 981 . 1 1 113 113 LYS CA C 13 54.286 0.3 . 1 . . . A 113 LYS CA . 18541 1 982 . 1 1 113 113 LYS CB C 13 32.719 0.3 . 1 . . . A 113 LYS CB . 18541 1 983 . 1 1 113 113 LYS CG C 13 24.787 0.3 . 1 . . . A 113 LYS CG . 18541 1 984 . 1 1 113 113 LYS N N 15 123.462 0.3 . 1 . . . A 113 LYS N . 18541 1 985 . 1 1 116 116 GLY HA2 H 1 3.924 0.03 . 1 . . . A 116 GLY HA2 . 18541 1 986 . 1 1 116 116 GLY CA C 13 45.486 0.03 . 1 . . . A 116 GLY CA . 18541 1 987 . 1 1 117 117 GLY H H 1 8.297 0.03 . 1 . . . A 117 GLY H . 18541 1 988 . 1 1 117 117 GLY HA2 H 1 3.931 0.03 . 1 . . . A 117 GLY HA2 . 18541 1 989 . 1 1 117 117 GLY CA C 13 45.300 0.03 . 1 . . . A 117 GLY CA . 18541 1 990 . 1 1 117 117 GLY N N 15 108.931 0.3 . 1 . . . A 117 GLY N . 18541 1 991 . 1 1 118 118 GLU H H 1 8.402 0.03 . 1 . . . A 118 GLU H . 18541 1 992 . 1 1 118 118 GLU HA H 1 4.216 0.03 . 1 . . . A 118 GLU HA . 18541 1 993 . 1 1 118 118 GLU HB2 H 1 1.918 0.03 . 1 . . . A 118 GLU HB2 . 18541 1 994 . 1 1 118 118 GLU CA C 13 56.484 0.3 . 1 . . . A 118 GLU CA . 18541 1 995 . 1 1 118 118 GLU CB C 13 30.179 0.3 . 1 . . . A 118 GLU CB . 18541 1 996 . 1 1 118 118 GLU N N 15 120.745 0.3 . 1 . . . A 118 GLU N . 18541 1 997 . 1 1 119 119 LYS H H 1 8.410 0.03 . 1 . . . A 119 LYS H . 18541 1 998 . 1 1 119 119 LYS HA H 1 4.266 0.03 . 1 . . . A 119 LYS HA . 18541 1 999 . 1 1 119 119 LYS CA C 13 56.501 0.3 . 1 . . . A 119 LYS CA . 18541 1 1000 . 1 1 119 119 LYS N N 15 123.286 0.3 . 1 . . . A 119 LYS N . 18541 1 1001 . 1 1 120 120 LYS H H 1 8.358 0.03 . 1 . . . A 120 LYS H . 18541 1 1002 . 1 1 120 120 LYS N N 15 123.390 0.3 . 1 . . . A 120 LYS N . 18541 1 1003 . 1 1 122 122 GLY H H 1 8.479 0.03 . 1 . . . A 122 GLY H . 18541 1 1004 . 1 1 122 122 GLY N N 15 110.664 0.3 . 1 . . . A 122 GLY N . 18541 1 1005 . 1 1 124 124 GLY H H 1 8.439 0.03 . 1 . . . A 124 GLY H . 18541 1 1006 . 1 1 124 124 GLY N N 15 110.803 0.3 . 1 . . . A 124 GLY N . 18541 1 1007 . 1 1 126 126 GLU HA H 1 4.291 0.03 . 1 . . . A 126 GLU HA . 18541 1 1008 . 1 1 126 126 GLU CA C 13 56.765 0.3 . 1 . . . A 126 GLU CA . 18541 1 1009 . 1 1 127 127 ASN H H 1 7.985 0.03 . 1 . . . A 127 ASN H . 18541 1 1010 . 1 1 127 127 ASN CA C 13 54.830 0.3 . 1 . . . A 127 ASN CA . 18541 1 1011 . 1 1 127 127 ASN N N 15 124.472 0.3 . 1 . . . A 127 ASN N . 18541 1 stop_ save_