data_18967 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18967 _Entry.Title ; Solution structure of the C-terminal zinc-binding domain of HPV51 oncoprotein E6 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2013-01-21 _Entry.Accession_date 2013-01-21 _Entry.Last_release_date 2013-05-13 _Entry.Original_release_date 2013-05-13 _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 SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Andre Mischo . . . 18967 2 Oliver Ohlenschlager . . . 18967 3 Matthias Gorlach . . . 18967 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' . 18967 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID E6 . 18967 HPV . 18967 NMR . 18967 'Oncogene Proteins' . 18967 'Oncoprotein E6' . 18967 'Papillomavirus E6 Proteins' . 18967 Viral . 18967 'Zinc Fingers' . 18967 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18967 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 337 18967 '15N chemical shifts' 80 18967 '1H chemical shifts' 527 18967 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2013-05-13 2013-01-21 original author . 18967 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2M3L 'BMRB Entry Tracking System' 18967 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 18967 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 23638119 _Citation.Full_citation . _Citation.Title 'Structural insights into a wildtype domain of the oncoprotein E6 and its interaction with a PDZ domain' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'PLOS One' _Citation.Journal_name_full . _Citation.Journal_volume 8 _Citation.Journal_issue 4 _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 e62584 _Citation.Page_last e62584 _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 Andre Mischo . . . 18967 1 2 Oliver Ohlenschlager . . . 18967 1 3 Peter Hortschansky . . . 18967 1 4 Ramadurai Ramachandran . . . 18967 1 5 Matthias Gorlach . . . 18967 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18967 _Assembly.ID 1 _Assembly.Name E6 _Assembly.BMRB_code . _Assembly.Number_of_components 2 _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 E6 1 $E6 A . yes native no no . . . 18967 1 2 'ZINC ION' 2 $entity_ZN B . no native no no . . . 18967 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 coordination single . 1 E6 1 CYS 28 28 SG . 2 'ZINC ION' 2 ZN 1 1 ZN . E6 103 CYS SG . 'ZINC ION' 1 ZN ZN 18967 1 2 coordination single . 1 E6 1 CYS 31 31 SG . 2 'ZINC ION' 2 ZN 1 1 ZN . E6 106 CYS SG . 'ZINC ION' 1 ZN ZN 18967 1 3 coordination single . 1 E6 1 CYS 61 61 SG . 2 'ZINC ION' 2 ZN 1 1 ZN . E6 136 CYS SG . 'ZINC ION' 1 ZN ZN 18967 1 4 coordination single . 1 E6 1 CYS 64 64 SG . 2 'ZINC ION' 2 ZN 1 1 ZN . E6 139 CYS SG . 'ZINC ION' 1 ZN ZN 18967 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_E6 _Entity.Sf_category entity _Entity.Sf_framecode E6 _Entity.Entry_ID 18967 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name E6 _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 ; GSHMSRSVYGTTLEAITKKS LYDLSIRCHRCQRPLGPEEK QKLVDEKKRFHEIAGRWTGQ CANCWQRTRQRNETQV ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'Residues 1-4 represent a non-native sequence originating from protease cleavage' _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 76 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all other bound' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment E6 _Entity.Mutation WT _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 8951.278 _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 yes UniProtKB P26554 . VE6_HPV51 . . . . . . . . . . . . . . 18967 1 2 no PDB 2M3L . "Solution Structure Of The C-terminal Zinc-binding Domain Of Hpv51 Oncoprotein E6" . . . . . 100.00 76 100.00 100.00 1.50e-48 . . . . 18967 1 3 no EMBL CRH69907 . "Early Protein (E6) [Chlamydia trachomatis]" . . . . . 94.74 151 98.61 98.61 8.51e-44 . . . . 18967 1 4 no GB ALJ32861 . "early protein E6 [Human papillomavirus type 51]" . . . . . 94.74 151 100.00 100.00 1.08e-44 . . . . 18967 1 5 no GB ALJ32868 . "early protein E6 [Human papillomavirus type 51]" . . . . . 94.74 151 100.00 100.00 1.08e-44 . . . . 18967 1 6 no GB ALJ32875 . "early protein E6 [Human papillomavirus type 51]" . . . . . 94.74 151 100.00 100.00 1.08e-44 . . . . 18967 1 7 no GB ALJ32882 . "early protein E6 [Human papillomavirus type 51]" . . . . . 94.74 151 98.61 98.61 8.51e-44 . . . . 18967 1 8 no GB ALJ32889 . "early protein E6 [Human papillomavirus type 51]" . . . . . 94.74 151 100.00 100.00 1.08e-44 . . . . 18967 1 9 no SP P26554 . "RecName: Full=Protein E6" . . . . . 94.74 151 100.00 100.00 1.08e-44 . . . . 18967 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 76 GLY . 18967 1 2 77 SER . 18967 1 3 78 HIS . 18967 1 4 79 MET . 18967 1 5 80 SER . 18967 1 6 81 ARG . 18967 1 7 82 SER . 18967 1 8 83 VAL . 18967 1 9 84 TYR . 18967 1 10 85 GLY . 18967 1 11 86 THR . 18967 1 12 87 THR . 18967 1 13 88 LEU . 18967 1 14 89 GLU . 18967 1 15 90 ALA . 18967 1 16 91 ILE . 18967 1 17 92 THR . 18967 1 18 93 LYS . 18967 1 19 94 LYS . 18967 1 20 95 SER . 18967 1 21 96 LEU . 18967 1 22 97 TYR . 18967 1 23 98 ASP . 18967 1 24 99 LEU . 18967 1 25 100 SER . 18967 1 26 101 ILE . 18967 1 27 102 ARG . 18967 1 28 103 CYS . 18967 1 29 104 HIS . 18967 1 30 105 ARG . 18967 1 31 106 CYS . 18967 1 32 107 GLN . 18967 1 33 108 ARG . 18967 1 34 109 PRO . 18967 1 35 110 LEU . 18967 1 36 111 GLY . 18967 1 37 112 PRO . 18967 1 38 113 GLU . 18967 1 39 114 GLU . 18967 1 40 115 LYS . 18967 1 41 116 GLN . 18967 1 42 117 LYS . 18967 1 43 118 LEU . 18967 1 44 119 VAL . 18967 1 45 120 ASP . 18967 1 46 121 GLU . 18967 1 47 122 LYS . 18967 1 48 123 LYS . 18967 1 49 124 ARG . 18967 1 50 125 PHE . 18967 1 51 126 HIS . 18967 1 52 127 GLU . 18967 1 53 128 ILE . 18967 1 54 129 ALA . 18967 1 55 130 GLY . 18967 1 56 131 ARG . 18967 1 57 132 TRP . 18967 1 58 133 THR . 18967 1 59 134 GLY . 18967 1 60 135 GLN . 18967 1 61 136 CYS . 18967 1 62 137 ALA . 18967 1 63 138 ASN . 18967 1 64 139 CYS . 18967 1 65 140 TRP . 18967 1 66 141 GLN . 18967 1 67 142 ARG . 18967 1 68 143 THR . 18967 1 69 144 ARG . 18967 1 70 145 GLN . 18967 1 71 146 ARG . 18967 1 72 147 ASN . 18967 1 73 148 GLU . 18967 1 74 149 THR . 18967 1 75 150 GLN . 18967 1 76 151 VAL . 18967 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 18967 1 . SER 2 2 18967 1 . HIS 3 3 18967 1 . MET 4 4 18967 1 . SER 5 5 18967 1 . ARG 6 6 18967 1 . SER 7 7 18967 1 . VAL 8 8 18967 1 . TYR 9 9 18967 1 . GLY 10 10 18967 1 . THR 11 11 18967 1 . THR 12 12 18967 1 . LEU 13 13 18967 1 . GLU 14 14 18967 1 . ALA 15 15 18967 1 . ILE 16 16 18967 1 . THR 17 17 18967 1 . LYS 18 18 18967 1 . LYS 19 19 18967 1 . SER 20 20 18967 1 . LEU 21 21 18967 1 . TYR 22 22 18967 1 . ASP 23 23 18967 1 . LEU 24 24 18967 1 . SER 25 25 18967 1 . ILE 26 26 18967 1 . ARG 27 27 18967 1 . CYS 28 28 18967 1 . HIS 29 29 18967 1 . ARG 30 30 18967 1 . CYS 31 31 18967 1 . GLN 32 32 18967 1 . ARG 33 33 18967 1 . PRO 34 34 18967 1 . LEU 35 35 18967 1 . GLY 36 36 18967 1 . PRO 37 37 18967 1 . GLU 38 38 18967 1 . GLU 39 39 18967 1 . LYS 40 40 18967 1 . GLN 41 41 18967 1 . LYS 42 42 18967 1 . LEU 43 43 18967 1 . VAL 44 44 18967 1 . ASP 45 45 18967 1 . GLU 46 46 18967 1 . LYS 47 47 18967 1 . LYS 48 48 18967 1 . ARG 49 49 18967 1 . PHE 50 50 18967 1 . HIS 51 51 18967 1 . GLU 52 52 18967 1 . ILE 53 53 18967 1 . ALA 54 54 18967 1 . GLY 55 55 18967 1 . ARG 56 56 18967 1 . TRP 57 57 18967 1 . THR 58 58 18967 1 . GLY 59 59 18967 1 . GLN 60 60 18967 1 . CYS 61 61 18967 1 . ALA 62 62 18967 1 . ASN 63 63 18967 1 . CYS 64 64 18967 1 . TRP 65 65 18967 1 . GLN 66 66 18967 1 . ARG 67 67 18967 1 . THR 68 68 18967 1 . ARG 69 69 18967 1 . GLN 70 70 18967 1 . ARG 71 71 18967 1 . ASN 72 72 18967 1 . GLU 73 73 18967 1 . THR 74 74 18967 1 . GLN 75 75 18967 1 . VAL 76 76 18967 1 stop_ save_ save_entity_ZN _Entity.Sf_category entity _Entity.Sf_framecode entity_ZN _Entity.Entry_ID 18967 _Entity.ID 2 _Entity.BMRB_code ZN _Entity.Name 'ZINC ION' _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID ZN _Entity.Nonpolymer_comp_label $chem_comp_ZN _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 65.409 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'ZINC ION' BMRB 18967 2 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID 'ZINC ION' BMRB 18967 2 ZN 'Three letter code' 18967 2 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 ZN $chem_comp_ZN 18967 2 stop_ loop_ _Entity_atom_list.ID _Entity_atom_list.Comp_index_ID _Entity_atom_list.Comp_ID _Entity_atom_list.Atom_ID _Entity_atom_list.Entry_ID _Entity_atom_list.Entity_ID 1 1 ZN ZN 18967 2 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 18967 _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 $E6 . 10566 organism . 'Human papillomavirus' 'Human papillomavirus HPV' . . Viruses . Human papillomavirus 'TYPE 51' . . . . . . . . . . . . . . . e6 . . . . 18967 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 18967 _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 $E6 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'Bl21 (de3)' . . . . . . . . . . . . . . . pET15B . . . . . . 18967 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_ZN _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_ZN _Chem_comp.Entry_ID 18967 _Chem_comp.ID ZN _Chem_comp.Provenance PDB _Chem_comp.Name 'ZINC ION' _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code ZN _Chem_comp.PDB_code ZN _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2012-11-20 _Chem_comp.Modified_date 2012-11-20 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code ZN _Chem_comp.Number_atoms_all 1 _Chem_comp.Number_atoms_nh 1 _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/Zn/q+2 _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 2 _Chem_comp.Paramagnetic no _Chem_comp.Aromatic no _Chem_comp.Formula Zn _Chem_comp.Formula_weight 65.409 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID InChI=1S/Zn/q+2 InChI InChI 1.03 18967 ZN PTFCDOFLOPIGGS-UHFFFAOYSA-N InChIKey InChI 1.03 18967 ZN [Zn++] SMILES CACTVS 3.341 18967 ZN [Zn++] SMILES_CANONICAL CACTVS 3.341 18967 ZN [Zn+2] SMILES ACDLabs 10.04 18967 ZN [Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 18967 ZN [Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 18967 ZN stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID zinc 'SYSTEMATIC NAME' ACDLabs 10.04 18967 ZN 'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 18967 ZN stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID ZN ZN ZN ZN . ZN . . N 2 . . . 0 no no . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 18967 ZN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 18967 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 E6 '[U-100% 13C; U-100% 15N]' . . 1 $E6 . . 1.13 . . mM . . . . 18967 1 2 'sodium chloride' 'natural abundance' . . . . . . 90 . . mM . . . . 18967 1 3 L-arginine 'natural abundance' . . . . . . 45 . . mM . . . . 18967 1 4 L-glutamate 'natural abundance' . . . . . . 45 . . mM . . . . 18967 1 5 DTT 'natural abundance' . . . . . . 9 . . mM . . . . 18967 1 6 'sodium azide' 'natural abundance' . . . . . . 0.05 . . w/v . . . . 18967 1 7 H2O 'natural abundance' . . . . . . 90 . . % . . . . 18967 1 8 D2O 'natural abundance' . . . . . . 10 . . % . . . . 18967 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 18967 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 E6 '[U-100% 13C; U-100% 15N]' . . 1 $E6 . . 0.9 . . mM . . . . 18967 2 2 'sodium chloride' 'natural abundance' . . . . . . 90 . . mM . . . . 18967 2 3 L-arginine 'natural abundance' . . . . . . 45 . . mM . . . . 18967 2 4 L-glutamate 'natural abundance' . . . . . . 45 . . mM . . . . 18967 2 5 DTT 'natural abundance' . . . . . . 9 . . mM . . . . 18967 2 6 'sodium azide' 'natural abundance' . . . . . . 0.05 . . w/v . . . . 18967 2 7 D2O 'natural abundance' . . . . . . 100 . . % . . . . 18967 2 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 18967 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 180 . mM 18967 1 pH 7.4 . pH 18967 1 pressure 1 . atm 18967 1 temperature 283 . K 18967 1 stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 18967 _Software.ID 1 _Software.Name CYANA _Software.Version 3 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 18967 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 18967 1 stop_ save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 18967 _Software.ID 2 _Software.Name CNS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 18967 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 18967 2 stop_ save_ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 18967 _Software.ID 3 _Software.Name CARA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 18967 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 18967 3 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 18967 _Software.ID 4 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 18967 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'collection & processing' 18967 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 18967 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AvanceIII _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 18967 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details 'equipped with CryoProbe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AvanceIII _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 18967 _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 AvanceIII . 750 . . . 18967 1 2 spectrometer_2 Bruker AvanceIII . 600 'equipped with CryoProbe' . . 18967 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 18967 _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 . . . . . . . . . . . . . . . . 18967 1 2 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18967 1 3 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18967 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18967 1 5 '3D HNHA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18967 1 6 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18967 1 7 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18967 1 8 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18967 1 9 '3D HCCH-COSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18967 1 10 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18967 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 18967 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 18967 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 18967 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 18967 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 18967 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 18967 1 2 '2D 1H-13C HSQC aliphatic' . . . 18967 1 3 '2D 1H-13C HSQC aromatic' . . . 18967 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 3 3 HIS HA H 1 4.347 0.020 . 1 . . . A 78 HIS HA . 18967 1 2 . 1 1 3 3 HIS HB2 H 1 2.802 0.020 . 1 . . . A 78 HIS HB2 . 18967 1 3 . 1 1 3 3 HIS HB3 H 1 2.802 0.020 . 1 . . . A 78 HIS HB3 . 18967 1 4 . 1 1 3 3 HIS HD2 H 1 6.661 0.020 . 1 . . . A 78 HIS HD2 . 18967 1 5 . 1 1 3 3 HIS HE1 H 1 7.434 0.020 . 1 . . . A 78 HIS HE1 . 18967 1 6 . 1 1 3 3 HIS C C 13 175.140 0.300 . 1 . . . A 78 HIS C . 18967 1 7 . 1 1 3 3 HIS CA C 13 56.358 0.300 . 1 . . . A 78 HIS CA . 18967 1 8 . 1 1 3 3 HIS CB C 13 30.889 0.300 . 1 . . . A 78 HIS CB . 18967 1 9 . 1 1 3 3 HIS CD2 C 13 119.190 0.300 . 1 . . . A 78 HIS CD2 . 18967 1 10 . 1 1 3 3 HIS CE1 C 13 138.521 0.300 . 1 . . . A 78 HIS CE1 . 18967 1 11 . 1 1 4 4 MET H H 1 8.080 0.020 . 1 . . . A 79 MET H . 18967 1 12 . 1 1 4 4 MET HA H 1 4.344 0.020 . 1 . . . A 79 MET HA . 18967 1 13 . 1 1 4 4 MET HB2 H 1 1.684 0.020 . 1 . . . A 79 MET HB2 . 18967 1 14 . 1 1 4 4 MET HB3 H 1 1.684 0.020 . 1 . . . A 79 MET HB3 . 18967 1 15 . 1 1 4 4 MET HG2 H 1 2.121 0.020 . 1 . . . A 79 MET HG2 . 18967 1 16 . 1 1 4 4 MET HG3 H 1 2.012 0.020 . 1 . . . A 79 MET HG3 . 18967 1 17 . 1 1 4 4 MET C C 13 175.632 0.300 . 1 . . . A 79 MET C . 18967 1 18 . 1 1 4 4 MET CA C 13 55.001 0.300 . 1 . . . A 79 MET CA . 18967 1 19 . 1 1 4 4 MET CB C 13 32.569 0.300 . 1 . . . A 79 MET CB . 18967 1 20 . 1 1 4 4 MET CG C 13 31.564 0.300 . 1 . . . A 79 MET CG . 18967 1 21 . 1 1 4 4 MET N N 15 122.047 0.250 . 1 . . . A 79 MET N . 18967 1 22 . 1 1 5 5 SER H H 1 8.382 0.020 . 1 . . . A 80 SER H . 18967 1 23 . 1 1 5 5 SER HA H 1 4.176 0.020 . 1 . . . A 80 SER HA . 18967 1 24 . 1 1 5 5 SER HB2 H 1 3.614 0.020 . 1 . . . A 80 SER HB2 . 18967 1 25 . 1 1 5 5 SER HB3 H 1 3.571 0.020 . 1 . . . A 80 SER HB3 . 18967 1 26 . 1 1 5 5 SER C C 13 174.383 0.300 . 1 . . . A 80 SER C . 18967 1 27 . 1 1 5 5 SER CA C 13 58.292 0.300 . 1 . . . A 80 SER CA . 18967 1 28 . 1 1 5 5 SER CB C 13 63.528 0.300 . 1 . . . A 80 SER CB . 18967 1 29 . 1 1 5 5 SER N N 15 118.202 0.250 . 1 . . . A 80 SER N . 18967 1 30 . 1 1 6 6 ARG H H 1 7.978 0.020 . 1 . . . A 81 ARG H . 18967 1 31 . 1 1 6 6 ARG HA H 1 4.327 0.020 . 1 . . . A 81 ARG HA . 18967 1 32 . 1 1 6 6 ARG HB2 H 1 1.756 0.020 . 1 . . . A 81 ARG HB2 . 18967 1 33 . 1 1 6 6 ARG HB3 H 1 1.684 0.020 . 1 . . . A 81 ARG HB3 . 18967 1 34 . 1 1 6 6 ARG HG2 H 1 1.569 0.020 . 1 . . . A 81 ARG HG2 . 18967 1 35 . 1 1 6 6 ARG HG3 H 1 1.506 0.020 . 1 . . . A 81 ARG HG3 . 18967 1 36 . 1 1 6 6 ARG HD2 H 1 3.074 0.020 . 1 . . . A 81 ARG HD2 . 18967 1 37 . 1 1 6 6 ARG HD3 H 1 2.908 0.020 . 1 . . . A 81 ARG HD3 . 18967 1 38 . 1 1 6 6 ARG C C 13 175.037 0.300 . 1 . . . A 81 ARG C . 18967 1 39 . 1 1 6 6 ARG CA C 13 56.631 0.300 . 1 . . . A 81 ARG CA . 18967 1 40 . 1 1 6 6 ARG CB C 13 33.641 0.300 . 1 . . . A 81 ARG CB . 18967 1 41 . 1 1 6 6 ARG CG C 13 26.798 0.300 . 1 . . . A 81 ARG CG . 18967 1 42 . 1 1 6 6 ARG CD C 13 44.265 0.300 . 1 . . . A 81 ARG CD . 18967 1 43 . 1 1 6 6 ARG N N 15 121.228 0.250 . 1 . . . A 81 ARG N . 18967 1 44 . 1 1 7 7 SER H H 1 8.272 0.020 . 1 . . . A 82 SER H . 18967 1 45 . 1 1 7 7 SER HA H 1 5.417 0.020 . 1 . . . A 82 SER HA . 18967 1 46 . 1 1 7 7 SER HB2 H 1 3.300 0.020 . 1 . . . A 82 SER HB2 . 18967 1 47 . 1 1 7 7 SER HB3 H 1 3.256 0.020 . 1 . . . A 82 SER HB3 . 18967 1 48 . 1 1 7 7 SER C C 13 174.388 0.300 . 1 . . . A 82 SER C . 18967 1 49 . 1 1 7 7 SER CA C 13 57.461 0.300 . 1 . . . A 82 SER CA . 18967 1 50 . 1 1 7 7 SER CB C 13 64.295 0.300 . 1 . . . A 82 SER CB . 18967 1 51 . 1 1 7 7 SER N N 15 118.087 0.250 . 1 . . . A 82 SER N . 18967 1 52 . 1 1 8 8 VAL H H 1 8.765 0.020 . 1 . . . A 83 VAL H . 18967 1 53 . 1 1 8 8 VAL HA H 1 4.662 0.020 . 1 . . . A 83 VAL HA . 18967 1 54 . 1 1 8 8 VAL HB H 1 2.065 0.020 . 1 . . . A 83 VAL HB . 18967 1 55 . 1 1 8 8 VAL HG11 H 1 0.716 0.020 . 1 . . . A 83 VAL HG11 . 18967 1 56 . 1 1 8 8 VAL HG12 H 1 0.716 0.020 . 1 . . . A 83 VAL HG12 . 18967 1 57 . 1 1 8 8 VAL HG13 H 1 0.716 0.020 . 1 . . . A 83 VAL HG13 . 18967 1 58 . 1 1 8 8 VAL HG21 H 1 0.288 0.020 . 1 . . . A 83 VAL HG21 . 18967 1 59 . 1 1 8 8 VAL HG22 H 1 0.288 0.020 . 1 . . . A 83 VAL HG22 . 18967 1 60 . 1 1 8 8 VAL HG23 H 1 0.288 0.020 . 1 . . . A 83 VAL HG23 . 18967 1 61 . 1 1 8 8 VAL C C 13 174.683 0.300 . 1 . . . A 83 VAL C . 18967 1 62 . 1 1 8 8 VAL CA C 13 58.077 0.300 . 1 . . . A 83 VAL CA . 18967 1 63 . 1 1 8 8 VAL CB C 13 36.499 0.300 . 1 . . . A 83 VAL CB . 18967 1 64 . 1 1 8 8 VAL CG1 C 13 21.808 0.300 . 1 . . . A 83 VAL CG1 . 18967 1 65 . 1 1 8 8 VAL CG2 C 13 19.213 0.300 . 1 . . . A 83 VAL CG2 . 18967 1 66 . 1 1 8 8 VAL N N 15 115.639 0.250 . 1 . . . A 83 VAL N . 18967 1 67 . 1 1 9 9 TYR H H 1 8.382 0.020 . 1 . . . A 84 TYR H . 18967 1 68 . 1 1 9 9 TYR HA H 1 4.752 0.020 . 1 . . . A 84 TYR HA . 18967 1 69 . 1 1 9 9 TYR HB2 H 1 3.269 0.020 . 1 . . . A 84 TYR HB2 . 18967 1 70 . 1 1 9 9 TYR HB3 H 1 2.634 0.020 . 1 . . . A 84 TYR HB3 . 18967 1 71 . 1 1 9 9 TYR HD2 H 1 7.013 0.020 . 1 . . . A 84 TYR HD2 . 18967 1 72 . 1 1 9 9 TYR HD1 H 1 7.013 0.020 . 1 . . . A 84 TYR HD1 . 18967 1 73 . 1 1 9 9 TYR HE2 H 1 6.562 0.020 . 1 . . . A 84 TYR HE2 . 18967 1 74 . 1 1 9 9 TYR HE1 H 1 6.562 0.020 . 1 . . . A 84 TYR HE1 . 18967 1 75 . 1 1 9 9 TYR C C 13 178.164 0.300 . 1 . . . A 84 TYR C . 18967 1 76 . 1 1 9 9 TYR CA C 13 58.228 0.300 . 1 . . . A 84 TYR CA . 18967 1 77 . 1 1 9 9 TYR CB C 13 38.941 0.300 . 1 . . . A 84 TYR CB . 18967 1 78 . 1 1 9 9 TYR CD1 C 13 132.617 0.300 . 1 . . . A 84 TYR CD1 . 18967 1 79 . 1 1 9 9 TYR CD2 C 13 132.617 0.300 . 1 . . . A 84 TYR CD2 . 18967 1 80 . 1 1 9 9 TYR CE1 C 13 118.000 0.300 . 1 . . . A 84 TYR CE1 . 18967 1 81 . 1 1 9 9 TYR CE2 C 13 118.000 0.300 . 1 . . . A 84 TYR CE2 . 18967 1 82 . 1 1 9 9 TYR N N 15 119.744 0.250 . 1 . . . A 84 TYR N . 18967 1 83 . 1 1 10 10 GLY H H 1 10.672 0.020 . 1 . . . A 85 GLY H . 18967 1 84 . 1 1 10 10 GLY HA2 H 1 3.583 0.020 . 1 . . . A 85 GLY HA2 . 18967 1 85 . 1 1 10 10 GLY HA3 H 1 3.199 0.020 . 1 . . . A 85 GLY HA3 . 18967 1 86 . 1 1 10 10 GLY C C 13 174.644 0.300 . 1 . . . A 85 GLY C . 18967 1 87 . 1 1 10 10 GLY CA C 13 48.393 0.300 . 1 . . . A 85 GLY CA . 18967 1 88 . 1 1 10 10 GLY N N 15 110.032 0.250 . 1 . . . A 85 GLY N . 18967 1 89 . 1 1 11 11 THR H H 1 8.074 0.020 . 1 . . . A 86 THR H . 18967 1 90 . 1 1 11 11 THR HA H 1 3.910 0.020 . 1 . . . A 86 THR HA . 18967 1 91 . 1 1 11 11 THR HB H 1 3.926 0.020 . 1 . . . A 86 THR HB . 18967 1 92 . 1 1 11 11 THR HG21 H 1 1.059 0.020 . 1 . . . A 86 THR HG21 . 18967 1 93 . 1 1 11 11 THR HG22 H 1 1.059 0.020 . 1 . . . A 86 THR HG22 . 18967 1 94 . 1 1 11 11 THR HG23 H 1 1.059 0.020 . 1 . . . A 86 THR HG23 . 18967 1 95 . 1 1 11 11 THR C C 13 177.451 0.300 . 1 . . . A 86 THR C . 18967 1 96 . 1 1 11 11 THR CA C 13 64.747 0.300 . 1 . . . A 86 THR CA . 18967 1 97 . 1 1 11 11 THR CB C 13 68.016 0.300 . 1 . . . A 86 THR CB . 18967 1 98 . 1 1 11 11 THR CG2 C 13 22.128 0.300 . 1 . . . A 86 THR CG2 . 18967 1 99 . 1 1 11 11 THR N N 15 111.381 0.250 . 1 . . . A 86 THR N . 18967 1 100 . 1 1 12 12 THR H H 1 6.919 0.020 . 1 . . . A 87 THR H . 18967 1 101 . 1 1 12 12 THR HA H 1 3.831 0.020 . 1 . . . A 87 THR HA . 18967 1 102 . 1 1 12 12 THR HB H 1 4.090 0.020 . 1 . . . A 87 THR HB . 18967 1 103 . 1 1 12 12 THR HG21 H 1 1.080 0.020 . 1 . . . A 87 THR HG21 . 18967 1 104 . 1 1 12 12 THR HG22 H 1 1.080 0.020 . 1 . . . A 87 THR HG22 . 18967 1 105 . 1 1 12 12 THR HG23 H 1 1.080 0.020 . 1 . . . A 87 THR HG23 . 18967 1 106 . 1 1 12 12 THR C C 13 175.137 0.300 . 1 . . . A 87 THR C . 18967 1 107 . 1 1 12 12 THR CA C 13 65.061 0.300 . 1 . . . A 87 THR CA . 18967 1 108 . 1 1 12 12 THR CB C 13 68.510 0.300 . 1 . . . A 87 THR CB . 18967 1 109 . 1 1 12 12 THR CG2 C 13 22.136 0.300 . 1 . . . A 87 THR CG2 . 18967 1 110 . 1 1 12 12 THR N N 15 120.650 0.250 . 1 . . . A 87 THR N . 18967 1 111 . 1 1 13 13 LEU H H 1 7.780 0.020 . 1 . . . A 88 LEU H . 18967 1 112 . 1 1 13 13 LEU HA H 1 3.223 0.020 . 1 . . . A 88 LEU HA . 18967 1 113 . 1 1 13 13 LEU HB2 H 1 1.336 0.020 . 1 . . . A 88 LEU HB2 . 18967 1 114 . 1 1 13 13 LEU HB3 H 1 0.367 0.020 . 1 . . . A 88 LEU HB3 . 18967 1 115 . 1 1 13 13 LEU HG H 1 0.259 0.020 . 1 . . . A 88 LEU HG . 18967 1 116 . 1 1 13 13 LEU HD11 H 1 -0.628 0.020 . 1 . . . A 88 LEU HD11 . 18967 1 117 . 1 1 13 13 LEU HD12 H 1 -0.628 0.020 . 1 . . . A 88 LEU HD12 . 18967 1 118 . 1 1 13 13 LEU HD13 H 1 -0.628 0.020 . 1 . . . A 88 LEU HD13 . 18967 1 119 . 1 1 13 13 LEU HD21 H 1 -1.296 0.020 . 1 . . . A 88 LEU HD21 . 18967 1 120 . 1 1 13 13 LEU HD22 H 1 -1.296 0.020 . 1 . . . A 88 LEU HD22 . 18967 1 121 . 1 1 13 13 LEU HD23 H 1 -1.296 0.020 . 1 . . . A 88 LEU HD23 . 18967 1 122 . 1 1 13 13 LEU C C 13 179.473 0.300 . 1 . . . A 88 LEU C . 18967 1 123 . 1 1 13 13 LEU CA C 13 57.525 0.300 . 1 . . . A 88 LEU CA . 18967 1 124 . 1 1 13 13 LEU CB C 13 40.410 0.300 . 1 . . . A 88 LEU CB . 18967 1 125 . 1 1 13 13 LEU CG C 13 25.225 0.300 . 1 . . . A 88 LEU CG . 18967 1 126 . 1 1 13 13 LEU CD1 C 13 24.310 0.300 . 1 . . . A 88 LEU CD1 . 18967 1 127 . 1 1 13 13 LEU CD2 C 13 20.062 0.300 . 1 . . . A 88 LEU CD2 . 18967 1 128 . 1 1 13 13 LEU N N 15 123.348 0.250 . 1 . . . A 88 LEU N . 18967 1 129 . 1 1 14 14 GLU H H 1 7.736 0.020 . 1 . . . A 89 GLU H . 18967 1 130 . 1 1 14 14 GLU HA H 1 3.908 0.020 . 1 . . . A 89 GLU HA . 18967 1 131 . 1 1 14 14 GLU HB2 H 1 1.707 0.020 . 1 . . . A 89 GLU HB2 . 18967 1 132 . 1 1 14 14 GLU HB3 H 1 1.560 0.020 . 1 . . . A 89 GLU HB3 . 18967 1 133 . 1 1 14 14 GLU HG2 H 1 2.160 0.020 . 1 . . . A 89 GLU HG2 . 18967 1 134 . 1 1 14 14 GLU HG3 H 1 2.034 0.020 . 1 . . . A 89 GLU HG3 . 18967 1 135 . 1 1 14 14 GLU C C 13 178.952 0.300 . 1 . . . A 89 GLU C . 18967 1 136 . 1 1 14 14 GLU CA C 13 59.122 0.300 . 1 . . . A 89 GLU CA . 18967 1 137 . 1 1 14 14 GLU CB C 13 29.170 0.300 . 1 . . . A 89 GLU CB . 18967 1 138 . 1 1 14 14 GLU CG C 13 36.701 0.300 . 1 . . . A 89 GLU CG . 18967 1 139 . 1 1 14 14 GLU N N 15 119.359 0.250 . 1 . . . A 89 GLU N . 18967 1 140 . 1 1 15 15 ALA H H 1 7.069 0.020 . 1 . . . A 90 ALA H . 18967 1 141 . 1 1 15 15 ALA HA H 1 3.882 0.020 . 1 . . . A 90 ALA HA . 18967 1 142 . 1 1 15 15 ALA HB1 H 1 1.338 0.020 . 1 . . . A 90 ALA HB1 . 18967 1 143 . 1 1 15 15 ALA HB2 H 1 1.338 0.020 . 1 . . . A 90 ALA HB2 . 18967 1 144 . 1 1 15 15 ALA HB3 H 1 1.338 0.020 . 1 . . . A 90 ALA HB3 . 18967 1 145 . 1 1 15 15 ALA C C 13 180.416 0.300 . 1 . . . A 90 ALA C . 18967 1 146 . 1 1 15 15 ALA CA C 13 54.652 0.300 . 1 . . . A 90 ALA CA . 18967 1 147 . 1 1 15 15 ALA CB C 13 17.930 0.300 . 1 . . . A 90 ALA CB . 18967 1 148 . 1 1 15 15 ALA N N 15 122.172 0.250 . 1 . . . A 90 ALA N . 18967 1 149 . 1 1 16 16 ILE H H 1 8.190 0.020 . 1 . . . A 91 ILE H . 18967 1 150 . 1 1 16 16 ILE HA H 1 3.537 0.020 . 1 . . . A 91 ILE HA . 18967 1 151 . 1 1 16 16 ILE HB H 1 1.528 0.020 . 1 . . . A 91 ILE HB . 18967 1 152 . 1 1 16 16 ILE HG12 H 1 1.570 0.020 . 1 . . . A 91 ILE HG12 . 18967 1 153 . 1 1 16 16 ILE HG13 H 1 0.930 0.020 . 1 . . . A 91 ILE HG13 . 18967 1 154 . 1 1 16 16 ILE HG21 H 1 0.766 0.020 . 1 . . . A 91 ILE HG21 . 18967 1 155 . 1 1 16 16 ILE HG22 H 1 0.766 0.020 . 1 . . . A 91 ILE HG22 . 18967 1 156 . 1 1 16 16 ILE HG23 H 1 0.766 0.020 . 1 . . . A 91 ILE HG23 . 18967 1 157 . 1 1 16 16 ILE HD11 H 1 0.589 0.020 . 1 . . . A 91 ILE HD11 . 18967 1 158 . 1 1 16 16 ILE HD12 H 1 0.589 0.020 . 1 . . . A 91 ILE HD12 . 18967 1 159 . 1 1 16 16 ILE HD13 H 1 0.589 0.020 . 1 . . . A 91 ILE HD13 . 18967 1 160 . 1 1 16 16 ILE C C 13 178.374 0.300 . 1 . . . A 91 ILE C . 18967 1 161 . 1 1 16 16 ILE CA C 13 64.806 0.300 . 1 . . . A 91 ILE CA . 18967 1 162 . 1 1 16 16 ILE CB C 13 39.261 0.300 . 1 . . . A 91 ILE CB . 18967 1 163 . 1 1 16 16 ILE CG1 C 13 28.231 0.300 . 1 . . . A 91 ILE CG1 . 18967 1 164 . 1 1 16 16 ILE CG2 C 13 16.683 0.300 . 1 . . . A 91 ILE CG2 . 18967 1 165 . 1 1 16 16 ILE CD1 C 13 14.607 0.300 . 1 . . . A 91 ILE CD1 . 18967 1 166 . 1 1 16 16 ILE N N 15 116.892 0.250 . 1 . . . A 91 ILE N . 18967 1 167 . 1 1 17 17 THR H H 1 7.500 0.020 . 1 . . . A 92 THR H . 18967 1 168 . 1 1 17 17 THR HA H 1 3.857 0.020 . 1 . . . A 92 THR HA . 18967 1 169 . 1 1 17 17 THR HB H 1 3.835 0.020 . 1 . . . A 92 THR HB . 18967 1 170 . 1 1 17 17 THR HG21 H 1 0.891 0.020 . 1 . . . A 92 THR HG21 . 18967 1 171 . 1 1 17 17 THR HG22 H 1 0.891 0.020 . 1 . . . A 92 THR HG22 . 18967 1 172 . 1 1 17 17 THR HG23 H 1 0.891 0.020 . 1 . . . A 92 THR HG23 . 18967 1 173 . 1 1 17 17 THR C C 13 175.415 0.300 . 1 . . . A 92 THR C . 18967 1 174 . 1 1 17 17 THR CA C 13 62.826 0.300 . 1 . . . A 92 THR CA . 18967 1 175 . 1 1 17 17 THR CB C 13 71.064 0.300 . 1 . . . A 92 THR CB . 18967 1 176 . 1 1 17 17 THR CG2 C 13 21.641 0.300 . 1 . . . A 92 THR CG2 . 18967 1 177 . 1 1 17 17 THR N N 15 107.469 0.250 . 1 . . . A 92 THR N . 18967 1 178 . 1 1 18 18 LYS H H 1 7.602 0.020 . 1 . . . A 93 LYS H . 18967 1 179 . 1 1 18 18 LYS HA H 1 3.588 0.020 . 1 . . . A 93 LYS HA . 18967 1 180 . 1 1 18 18 LYS HB2 H 1 1.886 0.020 . 1 . . . A 93 LYS HB2 . 18967 1 181 . 1 1 18 18 LYS HB3 H 1 1.762 0.020 . 1 . . . A 93 LYS HB3 . 18967 1 182 . 1 1 18 18 LYS HG2 H 1 1.125 0.020 . 1 . . . A 93 LYS HG2 . 18967 1 183 . 1 1 18 18 LYS HG3 H 1 1.058 0.020 . 1 . . . A 93 LYS HG3 . 18967 1 184 . 1 1 18 18 LYS HD2 H 1 1.429 0.020 . 1 . . . A 93 LYS HD2 . 18967 1 185 . 1 1 18 18 LYS HD3 H 1 1.480 0.020 . 1 . . . A 93 LYS HD3 . 18967 1 186 . 1 1 18 18 LYS HE2 H 1 2.798 0.020 . 1 . . . A 93 LYS HE2 . 18967 1 187 . 1 1 18 18 LYS HE3 H 1 2.708 0.020 . 1 . . . A 93 LYS HE3 . 18967 1 188 . 1 1 18 18 LYS C C 13 174.891 0.300 . 1 . . . A 93 LYS C . 18967 1 189 . 1 1 18 18 LYS CA C 13 57.293 0.300 . 1 . . . A 93 LYS CA . 18967 1 190 . 1 1 18 18 LYS CB C 13 28.848 0.300 . 1 . . . A 93 LYS CB . 18967 1 191 . 1 1 18 18 LYS CG C 13 24.885 0.300 . 1 . . . A 93 LYS CG . 18967 1 192 . 1 1 18 18 LYS CD C 13 28.425 0.300 . 1 . . . A 93 LYS CD . 18967 1 193 . 1 1 18 18 LYS CE C 13 42.179 0.300 . 1 . . . A 93 LYS CE . 18967 1 194 . 1 1 18 18 LYS N N 15 116.931 0.250 . 1 . . . A 93 LYS N . 18967 1 195 . 1 1 19 19 LYS H H 1 7.541 0.020 . 1 . . . A 94 LYS H . 18967 1 196 . 1 1 19 19 LYS HA H 1 4.266 0.020 . 1 . . . A 94 LYS HA . 18967 1 197 . 1 1 19 19 LYS HB2 H 1 1.442 0.020 . 1 . . . A 94 LYS HB2 . 18967 1 198 . 1 1 19 19 LYS HB3 H 1 1.230 0.020 . 1 . . . A 94 LYS HB3 . 18967 1 199 . 1 1 19 19 LYS HG2 H 1 1.175 0.020 . 1 . . . A 94 LYS HG2 . 18967 1 200 . 1 1 19 19 LYS HG3 H 1 1.119 0.020 . 1 . . . A 94 LYS HG3 . 18967 1 201 . 1 1 19 19 LYS HD2 H 1 1.420 0.020 . 1 . . . A 94 LYS HD2 . 18967 1 202 . 1 1 19 19 LYS HD3 H 1 1.360 0.020 . 1 . . . A 94 LYS HD3 . 18967 1 203 . 1 1 19 19 LYS HE2 H 1 2.758 0.020 . 1 . . . A 94 LYS HE2 . 18967 1 204 . 1 1 19 19 LYS HE3 H 1 2.699 0.020 . 1 . . . A 94 LYS HE3 . 18967 1 205 . 1 1 19 19 LYS C C 13 174.268 0.300 . 1 . . . A 94 LYS C . 18967 1 206 . 1 1 19 19 LYS CA C 13 54.077 0.300 . 1 . . . A 94 LYS CA . 18967 1 207 . 1 1 19 19 LYS CB C 13 36.578 0.300 . 1 . . . A 94 LYS CB . 18967 1 208 . 1 1 19 19 LYS CG C 13 24.686 0.300 . 1 . . . A 94 LYS CG . 18967 1 209 . 1 1 19 19 LYS CD C 13 29.257 0.300 . 1 . . . A 94 LYS CD . 18967 1 210 . 1 1 19 19 LYS CE C 13 42.251 0.300 . 1 . . . A 94 LYS CE . 18967 1 211 . 1 1 19 19 LYS N N 15 118.742 0.250 . 1 . . . A 94 LYS N . 18967 1 212 . 1 1 20 20 SER H H 1 8.095 0.020 . 1 . . . A 95 SER H . 18967 1 213 . 1 1 20 20 SER HA H 1 4.049 0.020 . 1 . . . A 95 SER HA . 18967 1 214 . 1 1 20 20 SER HB2 H 1 3.722 0.020 . 1 . . . A 95 SER HB2 . 18967 1 215 . 1 1 20 20 SER HB3 H 1 3.510 0.020 . 1 . . . A 95 SER HB3 . 18967 1 216 . 1 1 20 20 SER C C 13 176.801 0.300 . 1 . . . A 95 SER C . 18967 1 217 . 1 1 20 20 SER CA C 13 56.769 0.300 . 1 . . . A 95 SER CA . 18967 1 218 . 1 1 20 20 SER CB C 13 63.965 0.300 . 1 . . . A 95 SER CB . 18967 1 219 . 1 1 20 20 SER N N 15 112.229 0.250 . 1 . . . A 95 SER N . 18967 1 220 . 1 1 21 21 LEU H H 1 9.681 0.020 . 1 . . . A 96 LEU H . 18967 1 221 . 1 1 21 21 LEU HA H 1 3.423 0.020 . 1 . . . A 96 LEU HA . 18967 1 222 . 1 1 21 21 LEU HB2 H 1 1.126 0.020 . 1 . . . A 96 LEU HB2 . 18967 1 223 . 1 1 21 21 LEU HB3 H 1 0.881 0.020 . 1 . . . A 96 LEU HB3 . 18967 1 224 . 1 1 21 21 LEU HG H 1 1.220 0.020 . 1 . . . A 96 LEU HG . 18967 1 225 . 1 1 21 21 LEU HD11 H 1 0.197 0.020 . 1 . . . A 96 LEU HD11 . 18967 1 226 . 1 1 21 21 LEU HD12 H 1 0.197 0.020 . 1 . . . A 96 LEU HD12 . 18967 1 227 . 1 1 21 21 LEU HD13 H 1 0.197 0.020 . 1 . . . A 96 LEU HD13 . 18967 1 228 . 1 1 21 21 LEU HD21 H 1 0.164 0.020 . 1 . . . A 96 LEU HD21 . 18967 1 229 . 1 1 21 21 LEU HD22 H 1 0.164 0.020 . 1 . . . A 96 LEU HD22 . 18967 1 230 . 1 1 21 21 LEU HD23 H 1 0.164 0.020 . 1 . . . A 96 LEU HD23 . 18967 1 231 . 1 1 21 21 LEU C C 13 178.974 0.300 . 1 . . . A 96 LEU C . 18967 1 232 . 1 1 21 21 LEU CA C 13 57.461 0.300 . 1 . . . A 96 LEU CA . 18967 1 233 . 1 1 21 21 LEU CB C 13 41.943 0.300 . 1 . . . A 96 LEU CB . 18967 1 234 . 1 1 21 21 LEU CG C 13 26.255 0.300 . 1 . . . A 96 LEU CG . 18967 1 235 . 1 1 21 21 LEU CD1 C 13 24.888 0.300 . 1 . . . A 96 LEU CD1 . 18967 1 236 . 1 1 21 21 LEU CD2 C 13 25.222 0.300 . 1 . . . A 96 LEU CD2 . 18967 1 237 . 1 1 21 21 LEU N N 15 125.872 0.250 . 1 . . . A 96 LEU N . 18967 1 238 . 1 1 22 22 TYR H H 1 7.650 0.020 . 1 . . . A 97 TYR H . 18967 1 239 . 1 1 22 22 TYR HA H 1 3.614 0.020 . 1 . . . A 97 TYR HA . 18967 1 240 . 1 1 22 22 TYR HB2 H 1 2.861 0.020 . 1 . . . A 97 TYR HB2 . 18967 1 241 . 1 1 22 22 TYR HB3 H 1 2.657 0.020 . 1 . . . A 97 TYR HB3 . 18967 1 242 . 1 1 22 22 TYR HD2 H 1 6.792 0.020 . 1 . . . A 97 TYR HD2 . 18967 1 243 . 1 1 22 22 TYR HD1 H 1 6.792 0.020 . 1 . . . A 97 TYR HD1 . 18967 1 244 . 1 1 22 22 TYR HE2 H 1 6.659 0.020 . 1 . . . A 97 TYR HE2 . 18967 1 245 . 1 1 22 22 TYR HE1 H 1 6.659 0.020 . 1 . . . A 97 TYR HE1 . 18967 1 246 . 1 1 22 22 TYR C C 13 175.808 0.300 . 1 . . . A 97 TYR C . 18967 1 247 . 1 1 22 22 TYR CA C 13 60.300 0.300 . 1 . . . A 97 TYR CA . 18967 1 248 . 1 1 22 22 TYR CB C 13 37.153 0.300 . 1 . . . A 97 TYR CB . 18967 1 249 . 1 1 22 22 TYR CD1 C 13 132.118 0.300 . 1 . . . A 97 TYR CD1 . 18967 1 250 . 1 1 22 22 TYR CD2 C 13 132.118 0.300 . 1 . . . A 97 TYR CD2 . 18967 1 251 . 1 1 22 22 TYR CE1 C 13 118.548 0.300 . 1 . . . A 97 TYR CE1 . 18967 1 252 . 1 1 22 22 TYR CE2 C 13 118.548 0.300 . 1 . . . A 97 TYR CE2 . 18967 1 253 . 1 1 22 22 TYR N N 15 115.081 0.250 . 1 . . . A 97 TYR N . 18967 1 254 . 1 1 23 23 ASP H H 1 7.391 0.020 . 1 . . . A 98 ASP H . 18967 1 255 . 1 1 23 23 ASP HA H 1 4.368 0.020 . 1 . . . A 98 ASP HA . 18967 1 256 . 1 1 23 23 ASP HB2 H 1 2.571 0.020 . 1 . . . A 98 ASP HB2 . 18967 1 257 . 1 1 23 23 ASP HB3 H 1 2.411 0.020 . 1 . . . A 98 ASP HB3 . 18967 1 258 . 1 1 23 23 ASP C C 13 176.124 0.300 . 1 . . . A 98 ASP C . 18967 1 259 . 1 1 23 23 ASP CA C 13 54.873 0.300 . 1 . . . A 98 ASP CA . 18967 1 260 . 1 1 23 23 ASP CB C 13 41.861 0.300 . 1 . . . A 98 ASP CB . 18967 1 261 . 1 1 23 23 ASP N N 15 117.258 0.250 . 1 . . . A 98 ASP N . 18967 1 262 . 1 1 24 24 LEU H H 1 6.973 0.020 . 1 . . . A 99 LEU H . 18967 1 263 . 1 1 24 24 LEU HA H 1 3.945 0.020 . 1 . . . A 99 LEU HA . 18967 1 264 . 1 1 24 24 LEU HB2 H 1 1.242 0.020 . 1 . . . A 99 LEU HB2 . 18967 1 265 . 1 1 24 24 LEU HB3 H 1 1.013 0.020 . 1 . . . A 99 LEU HB3 . 18967 1 266 . 1 1 24 24 LEU HG H 1 1.298 0.020 . 1 . . . A 99 LEU HG . 18967 1 267 . 1 1 24 24 LEU HD11 H 1 0.456 0.020 . 1 . . . A 99 LEU HD11 . 18967 1 268 . 1 1 24 24 LEU HD12 H 1 0.456 0.020 . 1 . . . A 99 LEU HD12 . 18967 1 269 . 1 1 24 24 LEU HD13 H 1 0.456 0.020 . 1 . . . A 99 LEU HD13 . 18967 1 270 . 1 1 24 24 LEU HD21 H 1 0.361 0.020 . 1 . . . A 99 LEU HD21 . 18967 1 271 . 1 1 24 24 LEU HD22 H 1 0.361 0.020 . 1 . . . A 99 LEU HD22 . 18967 1 272 . 1 1 24 24 LEU HD23 H 1 0.361 0.020 . 1 . . . A 99 LEU HD23 . 18967 1 273 . 1 1 24 24 LEU C C 13 175.802 0.300 . 1 . . . A 99 LEU C . 18967 1 274 . 1 1 24 24 LEU CA C 13 54.285 0.300 . 1 . . . A 99 LEU CA . 18967 1 275 . 1 1 24 24 LEU CB C 13 43.953 0.300 . 1 . . . A 99 LEU CB . 18967 1 276 . 1 1 24 24 LEU CG C 13 25.679 0.300 . 1 . . . A 99 LEU CG . 18967 1 277 . 1 1 24 24 LEU CD1 C 13 24.169 0.300 . 1 . . . A 99 LEU CD1 . 18967 1 278 . 1 1 24 24 LEU CD2 C 13 24.749 0.300 . 1 . . . A 99 LEU CD2 . 18967 1 279 . 1 1 24 24 LEU N N 15 122.018 0.250 . 1 . . . A 99 LEU N . 18967 1 280 . 1 1 25 25 SER HA H 1 4.221 0.020 . 1 . . . A 100 SER HA . 18967 1 281 . 1 1 25 25 SER HB2 H 1 3.700 0.020 . 1 . . . A 100 SER HB2 . 18967 1 282 . 1 1 25 25 SER HB3 H 1 3.614 0.020 . 1 . . . A 100 SER HB3 . 18967 1 283 . 1 1 25 25 SER C C 13 173.633 0.300 . 1 . . . A 100 SER C . 18967 1 284 . 1 1 25 25 SER CA C 13 57.334 0.300 . 1 . . . A 100 SER CA . 18967 1 285 . 1 1 25 25 SER CB C 13 61.954 0.300 . 1 . . . A 100 SER CB . 18967 1 286 . 1 1 26 26 ILE H H 1 8.450 0.020 . 1 . . . A 101 ILE H . 18967 1 287 . 1 1 26 26 ILE HA H 1 4.304 0.020 . 1 . . . A 101 ILE HA . 18967 1 288 . 1 1 26 26 ILE HB H 1 1.357 0.020 . 1 . . . A 101 ILE HB . 18967 1 289 . 1 1 26 26 ILE HG12 H 1 1.135 0.020 . 1 . . . A 101 ILE HG12 . 18967 1 290 . 1 1 26 26 ILE HG13 H 1 0.714 0.020 . 1 . . . A 101 ILE HG13 . 18967 1 291 . 1 1 26 26 ILE HG21 H 1 0.702 0.020 . 1 . . . A 101 ILE HG21 . 18967 1 292 . 1 1 26 26 ILE HG22 H 1 0.702 0.020 . 1 . . . A 101 ILE HG22 . 18967 1 293 . 1 1 26 26 ILE HG23 H 1 0.702 0.020 . 1 . . . A 101 ILE HG23 . 18967 1 294 . 1 1 26 26 ILE HD11 H 1 0.257 0.020 . 1 . . . A 101 ILE HD11 . 18967 1 295 . 1 1 26 26 ILE HD12 H 1 0.257 0.020 . 1 . . . A 101 ILE HD12 . 18967 1 296 . 1 1 26 26 ILE HD13 H 1 0.257 0.020 . 1 . . . A 101 ILE HD13 . 18967 1 297 . 1 1 26 26 ILE C C 13 174.538 0.300 . 1 . . . A 101 ILE C . 18967 1 298 . 1 1 26 26 ILE CA C 13 59.633 0.300 . 1 . . . A 101 ILE CA . 18967 1 299 . 1 1 26 26 ILE CB C 13 40.729 0.300 . 1 . . . A 101 ILE CB . 18967 1 300 . 1 1 26 26 ILE CG1 C 13 26.478 0.300 . 1 . . . A 101 ILE CG1 . 18967 1 301 . 1 1 26 26 ILE CG2 C 13 17.815 0.300 . 1 . . . A 101 ILE CG2 . 18967 1 302 . 1 1 26 26 ILE CD1 C 13 13.380 0.300 . 1 . . . A 101 ILE CD1 . 18967 1 303 . 1 1 26 26 ILE N N 15 128.955 0.250 . 1 . . . A 101 ILE N . 18967 1 304 . 1 1 27 27 ARG H H 1 7.650 0.020 . 1 . . . A 102 ARG H . 18967 1 305 . 1 1 27 27 ARG HA H 1 4.765 0.020 . 1 . . . A 102 ARG HA . 18967 1 306 . 1 1 27 27 ARG HB2 H 1 1.333 0.020 . 1 . . . A 102 ARG HB2 . 18967 1 307 . 1 1 27 27 ARG HB3 H 1 1.195 0.020 . 1 . . . A 102 ARG HB3 . 18967 1 308 . 1 1 27 27 ARG HG2 H 1 1.330 0.020 . 1 . . . A 102 ARG HG2 . 18967 1 309 . 1 1 27 27 ARG HG3 H 1 1.069 0.020 . 1 . . . A 102 ARG HG3 . 18967 1 310 . 1 1 27 27 ARG HD2 H 1 2.930 0.020 . 1 . . . A 102 ARG HD2 . 18967 1 311 . 1 1 27 27 ARG HD3 H 1 2.819 0.020 . 1 . . . A 102 ARG HD3 . 18967 1 312 . 1 1 27 27 ARG C C 13 175.580 0.300 . 1 . . . A 102 ARG C . 18967 1 313 . 1 1 27 27 ARG CA C 13 54.013 0.300 . 1 . . . A 102 ARG CA . 18967 1 314 . 1 1 27 27 ARG CB C 13 32.938 0.300 . 1 . . . A 102 ARG CB . 18967 1 315 . 1 1 27 27 ARG CG C 13 27.833 0.300 . 1 . . . A 102 ARG CG . 18967 1 316 . 1 1 27 27 ARG CD C 13 43.173 0.300 . 1 . . . A 102 ARG CD . 18967 1 317 . 1 1 27 27 ARG N N 15 124.504 0.250 . 1 . . . A 102 ARG N . 18967 1 318 . 1 1 28 28 CYS H H 1 8.505 0.020 . 1 . . . A 103 CYS H . 18967 1 319 . 1 1 28 28 CYS HA H 1 4.330 0.020 . 1 . . . A 103 CYS HA . 18967 1 320 . 1 1 28 28 CYS HB2 H 1 3.172 0.020 . 1 . . . A 103 CYS HB2 . 18967 1 321 . 1 1 28 28 CYS HB3 H 1 2.518 0.020 . 1 . . . A 103 CYS HB3 . 18967 1 322 . 1 1 28 28 CYS C C 13 178.309 0.300 . 1 . . . A 103 CYS C . 18967 1 323 . 1 1 28 28 CYS CA C 13 58.611 0.300 . 1 . . . A 103 CYS CA . 18967 1 324 . 1 1 28 28 CYS CB C 13 30.803 0.300 . 1 . . . A 103 CYS CB . 18967 1 325 . 1 1 28 28 CYS N N 15 123.039 0.250 . 1 . . . A 103 CYS N . 18967 1 326 . 1 1 29 29 HIS H H 1 8.687 0.020 . 1 . . . A 104 HIS H . 18967 1 327 . 1 1 29 29 HIS HA H 1 3.988 0.020 . 1 . . . A 104 HIS HA . 18967 1 328 . 1 1 29 29 HIS HB2 H 1 3.129 0.020 . 1 . . . A 104 HIS HB2 . 18967 1 329 . 1 1 29 29 HIS HB3 H 1 3.081 0.020 . 1 . . . A 104 HIS HB3 . 18967 1 330 . 1 1 29 29 HIS HD2 H 1 6.955 0.020 . 1 . . . A 104 HIS HD2 . 18967 1 331 . 1 1 29 29 HIS HE1 H 1 7.332 0.020 . 1 . . . A 104 HIS HE1 . 18967 1 332 . 1 1 29 29 HIS C C 13 174.578 0.300 . 1 . . . A 104 HIS C . 18967 1 333 . 1 1 29 29 HIS CA C 13 58.611 0.300 . 1 . . . A 104 HIS CA . 18967 1 334 . 1 1 29 29 HIS CB C 13 29.409 0.300 . 1 . . . A 104 HIS CB . 18967 1 335 . 1 1 29 29 HIS CE1 C 13 138.125 0.300 . 1 . . . A 104 HIS CE1 . 18967 1 336 . 1 1 29 29 HIS N N 15 128.205 0.250 . 1 . . . A 104 HIS N . 18967 1 337 . 1 1 30 30 ARG H H 1 8.313 0.020 . 1 . . . A 105 ARG H . 18967 1 338 . 1 1 30 30 ARG HA H 1 4.074 0.020 . 1 . . . A 105 ARG HA . 18967 1 339 . 1 1 30 30 ARG HB2 H 1 1.985 0.020 . 1 . . . A 105 ARG HB2 . 18967 1 340 . 1 1 30 30 ARG HB3 H 1 1.371 0.020 . 1 . . . A 105 ARG HB3 . 18967 1 341 . 1 1 30 30 ARG HG2 H 1 1.371 0.020 . 1 . . . A 105 ARG HG2 . 18967 1 342 . 1 1 30 30 ARG HG3 H 1 1.163 0.020 . 1 . . . A 105 ARG HG3 . 18967 1 343 . 1 1 30 30 ARG HD2 H 1 2.988 0.020 . 1 . . . A 105 ARG HD2 . 18967 1 344 . 1 1 30 30 ARG HD3 H 1 2.923 0.020 . 1 . . . A 105 ARG HD3 . 18967 1 345 . 1 1 30 30 ARG C C 13 177.144 0.300 . 1 . . . A 105 ARG C . 18967 1 346 . 1 1 30 30 ARG CA C 13 57.927 0.300 . 1 . . . A 105 ARG CA . 18967 1 347 . 1 1 30 30 ARG CB C 13 30.044 0.300 . 1 . . . A 105 ARG CB . 18967 1 348 . 1 1 30 30 ARG CG C 13 27.297 0.300 . 1 . . . A 105 ARG CG . 18967 1 349 . 1 1 30 30 ARG CD C 13 43.040 0.300 . 1 . . . A 105 ARG CD . 18967 1 350 . 1 1 30 30 ARG N N 15 122.904 0.250 . 1 . . . A 105 ARG N . 18967 1 351 . 1 1 31 31 CYS H H 1 7.774 0.020 . 1 . . . A 106 CYS H . 18967 1 352 . 1 1 31 31 CYS HA H 1 4.611 0.020 . 1 . . . A 106 CYS HA . 18967 1 353 . 1 1 31 31 CYS HB2 H 1 3.000 0.020 . 1 . . . A 106 CYS HB2 . 18967 1 354 . 1 1 31 31 CYS HB3 H 1 2.261 0.020 . 1 . . . A 106 CYS HB3 . 18967 1 355 . 1 1 31 31 CYS C C 13 176.169 0.300 . 1 . . . A 106 CYS C . 18967 1 356 . 1 1 31 31 CYS CA C 13 59.123 0.300 . 1 . . . A 106 CYS CA . 18967 1 357 . 1 1 31 31 CYS CB C 13 31.987 0.300 . 1 . . . A 106 CYS CB . 18967 1 358 . 1 1 31 31 CYS N N 15 117.302 0.250 . 1 . . . A 106 CYS N . 18967 1 359 . 1 1 32 32 GLN H H 1 7.445 0.020 . 1 . . . A 107 GLN H . 18967 1 360 . 1 1 32 32 GLN HA H 1 3.972 0.020 . 1 . . . A 107 GLN HA . 18967 1 361 . 1 1 32 32 GLN HB2 H 1 2.219 0.020 . 1 . . . A 107 GLN HB2 . 18967 1 362 . 1 1 32 32 GLN HB3 H 1 2.207 0.020 . 1 . . . A 107 GLN HB3 . 18967 1 363 . 1 1 32 32 GLN HG2 H 1 2.069 0.020 . 1 . . . A 107 GLN HG2 . 18967 1 364 . 1 1 32 32 GLN HG3 H 1 1.941 0.020 . 1 . . . A 107 GLN HG3 . 18967 1 365 . 1 1 32 32 GLN HE21 H 1 6.994 0.020 . 1 . . . A 107 GLN HE21 . 18967 1 366 . 1 1 32 32 GLN HE22 H 1 6.426 0.020 . 1 . . . A 107 GLN HE22 . 18967 1 367 . 1 1 32 32 GLN C C 13 174.214 0.300 . 1 . . . A 107 GLN C . 18967 1 368 . 1 1 32 32 GLN CA C 13 58.012 0.300 . 1 . . . A 107 GLN CA . 18967 1 369 . 1 1 32 32 GLN CB C 13 25.775 0.300 . 1 . . . A 107 GLN CB . 18967 1 370 . 1 1 32 32 GLN CG C 13 33.626 0.300 . 1 . . . A 107 GLN CG . 18967 1 371 . 1 1 32 32 GLN N N 15 114.676 0.250 . 1 . . . A 107 GLN N . 18967 1 372 . 1 1 32 32 GLN NE2 N 15 113.077 0.250 . 1 . . . A 107 GLN NE2 . 18967 1 373 . 1 1 33 33 ARG H H 1 8.198 0.020 . 1 . . . A 108 ARG H . 18967 1 374 . 1 1 33 33 ARG HA H 1 4.418 0.020 . 1 . . . A 108 ARG HA . 18967 1 375 . 1 1 33 33 ARG HB2 H 1 1.726 0.020 . 1 . . . A 108 ARG HB2 . 18967 1 376 . 1 1 33 33 ARG HB3 H 1 1.604 0.020 . 1 . . . A 108 ARG HB3 . 18967 1 377 . 1 1 33 33 ARG HG2 H 1 1.696 0.020 . 1 . . . A 108 ARG HG2 . 18967 1 378 . 1 1 33 33 ARG HG3 H 1 1.593 0.020 . 1 . . . A 108 ARG HG3 . 18967 1 379 . 1 1 33 33 ARG HD2 H 1 3.125 0.020 . 1 . . . A 108 ARG HD2 . 18967 1 380 . 1 1 33 33 ARG HD3 H 1 3.102 0.020 . 1 . . . A 108 ARG HD3 . 18967 1 381 . 1 1 33 33 ARG C C 13 176.328 0.300 . 1 . . . A 108 ARG C . 18967 1 382 . 1 1 33 33 ARG CA C 13 55.812 0.300 . 1 . . . A 108 ARG CA . 18967 1 383 . 1 1 33 33 ARG CB C 13 29.930 0.300 . 1 . . . A 108 ARG CB . 18967 1 384 . 1 1 33 33 ARG CG C 13 27.337 0.300 . 1 . . . A 108 ARG CG . 18967 1 385 . 1 1 33 33 ARG CD C 13 43.382 0.300 . 1 . . . A 108 ARG CD . 18967 1 386 . 1 1 33 33 ARG N N 15 123.216 0.250 . 1 . . . A 108 ARG N . 18967 1 387 . 1 1 34 34 PRO HA H 1 4.328 0.020 . 1 . . . A 109 PRO HA . 18967 1 388 . 1 1 34 34 PRO HB2 H 1 2.051 0.020 . 1 . . . A 109 PRO HB2 . 18967 1 389 . 1 1 34 34 PRO HB3 H 1 1.630 0.020 . 1 . . . A 109 PRO HB3 . 18967 1 390 . 1 1 34 34 PRO HG2 H 1 2.005 0.020 . 1 . . . A 109 PRO HG2 . 18967 1 391 . 1 1 34 34 PRO HG3 H 1 1.701 0.020 . 1 . . . A 109 PRO HG3 . 18967 1 392 . 1 1 34 34 PRO HD2 H 1 3.757 0.020 . 1 . . . A 109 PRO HD2 . 18967 1 393 . 1 1 34 34 PRO HD3 H 1 3.459 0.020 . 1 . . . A 109 PRO HD3 . 18967 1 394 . 1 1 34 34 PRO C C 13 177.207 0.300 . 1 . . . A 109 PRO C . 18967 1 395 . 1 1 34 34 PRO CA C 13 62.890 0.300 . 1 . . . A 109 PRO CA . 18967 1 396 . 1 1 34 34 PRO CB C 13 31.342 0.300 . 1 . . . A 109 PRO CB . 18967 1 397 . 1 1 34 34 PRO CG C 13 27.761 0.300 . 1 . . . A 109 PRO CG . 18967 1 398 . 1 1 34 34 PRO CD C 13 50.551 0.300 . 1 . . . A 109 PRO CD . 18967 1 399 . 1 1 35 35 LEU H H 1 8.970 0.020 . 1 . . . A 110 LEU H . 18967 1 400 . 1 1 35 35 LEU HA H 1 4.202 0.020 . 1 . . . A 110 LEU HA . 18967 1 401 . 1 1 35 35 LEU HB2 H 1 1.403 0.020 . 1 . . . A 110 LEU HB2 . 18967 1 402 . 1 1 35 35 LEU HB3 H 1 1.311 0.020 . 1 . . . A 110 LEU HB3 . 18967 1 403 . 1 1 35 35 LEU HG H 1 1.381 0.020 . 1 . . . A 110 LEU HG . 18967 1 404 . 1 1 35 35 LEU HD11 H 1 0.464 0.020 . 1 . . . A 110 LEU HD11 . 18967 1 405 . 1 1 35 35 LEU HD12 H 1 0.464 0.020 . 1 . . . A 110 LEU HD12 . 18967 1 406 . 1 1 35 35 LEU HD13 H 1 0.464 0.020 . 1 . . . A 110 LEU HD13 . 18967 1 407 . 1 1 35 35 LEU HD21 H 1 0.441 0.020 . 1 . . . A 110 LEU HD21 . 18967 1 408 . 1 1 35 35 LEU HD22 H 1 0.441 0.020 . 1 . . . A 110 LEU HD22 . 18967 1 409 . 1 1 35 35 LEU HD23 H 1 0.441 0.020 . 1 . . . A 110 LEU HD23 . 18967 1 410 . 1 1 35 35 LEU C C 13 178.519 0.300 . 1 . . . A 110 LEU C . 18967 1 411 . 1 1 35 35 LEU CA C 13 55.226 0.300 . 1 . . . A 110 LEU CA . 18967 1 412 . 1 1 35 35 LEU CB C 13 42.773 0.300 . 1 . . . A 110 LEU CB . 18967 1 413 . 1 1 35 35 LEU CG C 13 29.121 0.300 . 1 . . . A 110 LEU CG . 18967 1 414 . 1 1 35 35 LEU CD1 C 13 24.174 0.300 . 1 . . . A 110 LEU CD1 . 18967 1 415 . 1 1 35 35 LEU CD2 C 13 25.320 0.300 . 1 . . . A 110 LEU CD2 . 18967 1 416 . 1 1 35 35 LEU N N 15 125.120 0.250 . 1 . . . A 110 LEU N . 18967 1 417 . 1 1 36 36 GLY H H 1 9.243 0.020 . 1 . . . A 111 GLY H . 18967 1 418 . 1 1 36 36 GLY HA2 H 1 4.334 0.020 . 1 . . . A 111 GLY HA2 . 18967 1 419 . 1 1 36 36 GLY HA3 H 1 3.924 0.020 . 1 . . . A 111 GLY HA3 . 18967 1 420 . 1 1 36 36 GLY C C 13 172.771 0.300 . 1 . . . A 111 GLY C . 18967 1 421 . 1 1 36 36 GLY CA C 13 44.093 0.300 . 1 . . . A 111 GLY CA . 18967 1 422 . 1 1 36 36 GLY N N 15 110.726 0.250 . 1 . . . A 111 GLY N . 18967 1 423 . 1 1 37 37 PRO HA H 1 3.910 0.020 . 1 . . . A 112 PRO HA . 18967 1 424 . 1 1 37 37 PRO HB2 H 1 1.978 0.020 . 1 . . . A 112 PRO HB2 . 18967 1 425 . 1 1 37 37 PRO HB3 H 1 1.737 0.020 . 1 . . . A 112 PRO HB3 . 18967 1 426 . 1 1 37 37 PRO HG2 H 1 2.011 0.020 . 1 . . . A 112 PRO HG2 . 18967 1 427 . 1 1 37 37 PRO HG3 H 1 1.869 0.020 . 1 . . . A 112 PRO HG3 . 18967 1 428 . 1 1 37 37 PRO HD2 H 1 3.637 0.020 . 1 . . . A 112 PRO HD2 . 18967 1 429 . 1 1 37 37 PRO HD3 H 1 3.547 0.020 . 1 . . . A 112 PRO HD3 . 18967 1 430 . 1 1 37 37 PRO C C 13 179.071 0.300 . 1 . . . A 112 PRO C . 18967 1 431 . 1 1 37 37 PRO CA C 13 65.955 0.300 . 1 . . . A 112 PRO CA . 18967 1 432 . 1 1 37 37 PRO CB C 13 31.405 0.300 . 1 . . . A 112 PRO CB . 18967 1 433 . 1 1 37 37 PRO CG C 13 27.420 0.300 . 1 . . . A 112 PRO CG . 18967 1 434 . 1 1 37 37 PRO CD C 13 49.263 0.300 . 1 . . . A 112 PRO CD . 18967 1 435 . 1 1 38 38 GLU H H 1 8.895 0.020 . 1 . . . A 113 GLU H . 18967 1 436 . 1 1 38 38 GLU HA H 1 3.933 0.020 . 1 . . . A 113 GLU HA . 18967 1 437 . 1 1 38 38 GLU HB2 H 1 1.894 0.020 . 1 . . . A 113 GLU HB2 . 18967 1 438 . 1 1 38 38 GLU HB3 H 1 1.814 0.020 . 1 . . . A 113 GLU HB3 . 18967 1 439 . 1 1 38 38 GLU HG2 H 1 2.156 0.020 . 1 . . . A 113 GLU HG2 . 18967 1 440 . 1 1 38 38 GLU HG3 H 1 2.192 0.020 . 1 . . . A 113 GLU HG3 . 18967 1 441 . 1 1 38 38 GLU C C 13 179.695 0.300 . 1 . . . A 113 GLU C . 18967 1 442 . 1 1 38 38 GLU CA C 13 59.633 0.300 . 1 . . . A 113 GLU CA . 18967 1 443 . 1 1 38 38 GLU CB C 13 27.957 0.300 . 1 . . . A 113 GLU CB . 18967 1 444 . 1 1 38 38 GLU CG C 13 36.436 0.300 . 1 . . . A 113 GLU CG . 18967 1 445 . 1 1 38 38 GLU N N 15 117.470 0.250 . 1 . . . A 113 GLU N . 18967 1 446 . 1 1 39 39 GLU H H 1 7.404 0.020 . 1 . . . A 114 GLU H . 18967 1 447 . 1 1 39 39 GLU HA H 1 3.831 0.020 . 1 . . . A 114 GLU HA . 18967 1 448 . 1 1 39 39 GLU HB2 H 1 2.251 0.020 . 1 . . . A 114 GLU HB2 . 18967 1 449 . 1 1 39 39 GLU HB3 H 1 2.005 0.020 . 1 . . . A 114 GLU HB3 . 18967 1 450 . 1 1 39 39 GLU HG2 H 1 2.222 0.020 . 1 . . . A 114 GLU HG2 . 18967 1 451 . 1 1 39 39 GLU HG3 H 1 2.321 0.020 . 1 . . . A 114 GLU HG3 . 18967 1 452 . 1 1 39 39 GLU C C 13 179.784 0.300 . 1 . . . A 114 GLU C . 18967 1 453 . 1 1 39 39 GLU CA C 13 59.058 0.300 . 1 . . . A 114 GLU CA . 18967 1 454 . 1 1 39 39 GLU CB C 13 31.022 0.300 . 1 . . . A 114 GLU CB . 18967 1 455 . 1 1 39 39 GLU CG C 13 38.360 0.300 . 1 . . . A 114 GLU CG . 18967 1 456 . 1 1 39 39 GLU N N 15 120.592 0.250 . 1 . . . A 114 GLU N . 18967 1 457 . 1 1 40 40 LYS H H 1 7.787 0.020 . 1 . . . A 115 LYS H . 18967 1 458 . 1 1 40 40 LYS HA H 1 3.754 0.020 . 1 . . . A 115 LYS HA . 18967 1 459 . 1 1 40 40 LYS HB2 H 1 1.841 0.020 . 1 . . . A 115 LYS HB2 . 18967 1 460 . 1 1 40 40 LYS HB3 H 1 1.485 0.020 . 1 . . . A 115 LYS HB3 . 18967 1 461 . 1 1 40 40 LYS HG2 H 1 0.904 0.020 . 1 . . . A 115 LYS HG2 . 18967 1 462 . 1 1 40 40 LYS HG3 H 1 0.864 0.020 . 1 . . . A 115 LYS HG3 . 18967 1 463 . 1 1 40 40 LYS HD2 H 1 1.303 0.020 . 1 . . . A 115 LYS HD2 . 18967 1 464 . 1 1 40 40 LYS HD3 H 1 1.280 0.020 . 1 . . . A 115 LYS HD3 . 18967 1 465 . 1 1 40 40 LYS HE2 H 1 2.683 0.020 . 1 . . . A 115 LYS HE2 . 18967 1 466 . 1 1 40 40 LYS HE3 H 1 2.417 0.020 . 1 . . . A 115 LYS HE3 . 18967 1 467 . 1 1 40 40 LYS C C 13 177.260 0.300 . 1 . . . A 115 LYS C . 18967 1 468 . 1 1 40 40 LYS CA C 13 60.591 0.300 . 1 . . . A 115 LYS CA . 18967 1 469 . 1 1 40 40 LYS CB C 13 32.747 0.300 . 1 . . . A 115 LYS CB . 18967 1 470 . 1 1 40 40 LYS CG C 13 27.412 0.300 . 1 . . . A 115 LYS CG . 18967 1 471 . 1 1 40 40 LYS CD C 13 30.462 0.300 . 1 . . . A 115 LYS CD . 18967 1 472 . 1 1 40 40 LYS CE C 13 41.773 0.300 . 1 . . . A 115 LYS CE . 18967 1 473 . 1 1 40 40 LYS N N 15 119.050 0.250 . 1 . . . A 115 LYS N . 18967 1 474 . 1 1 41 41 GLN H H 1 7.999 0.020 . 1 . . . A 116 GLN H . 18967 1 475 . 1 1 41 41 GLN HA H 1 3.652 0.020 . 1 . . . A 116 GLN HA . 18967 1 476 . 1 1 41 41 GLN HB2 H 1 2.182 0.020 . 1 . . . A 116 GLN HB2 . 18967 1 477 . 1 1 41 41 GLN HB3 H 1 1.857 0.020 . 1 . . . A 116 GLN HB3 . 18967 1 478 . 1 1 41 41 GLN HG2 H 1 2.306 0.020 . 1 . . . A 116 GLN HG2 . 18967 1 479 . 1 1 41 41 GLN HG3 H 1 2.231 0.020 . 1 . . . A 116 GLN HG3 . 18967 1 480 . 1 1 41 41 GLN HE21 H 1 7.787 0.020 . 1 . . . A 116 GLN HE21 . 18967 1 481 . 1 1 41 41 GLN HE22 H 1 6.734 0.020 . 1 . . . A 116 GLN HE22 . 18967 1 482 . 1 1 41 41 GLN C C 13 177.326 0.300 . 1 . . . A 116 GLN C . 18967 1 483 . 1 1 41 41 GLN CA C 13 57.750 0.300 . 1 . . . A 116 GLN CA . 18967 1 484 . 1 1 41 41 GLN CB C 13 28.325 0.300 . 1 . . . A 116 GLN CB . 18967 1 485 . 1 1 41 41 GLN CG C 13 33.161 0.300 . 1 . . . A 116 GLN CG . 18967 1 486 . 1 1 41 41 GLN N N 15 116.815 0.250 . 1 . . . A 116 GLN N . 18967 1 487 . 1 1 41 41 GLN NE2 N 15 115.524 0.250 . 1 . . . A 116 GLN NE2 . 18967 1 488 . 1 1 42 42 LYS H H 1 7.745 0.020 . 1 . . . A 117 LYS H . 18967 1 489 . 1 1 42 42 LYS HA H 1 3.966 0.020 . 1 . . . A 117 LYS HA . 18967 1 490 . 1 1 42 42 LYS HB2 H 1 1.710 0.020 . 1 . . . A 117 LYS HB2 . 18967 1 491 . 1 1 42 42 LYS HB3 H 1 1.570 0.020 . 1 . . . A 117 LYS HB3 . 18967 1 492 . 1 1 42 42 LYS HG2 H 1 1.173 0.020 . 1 . . . A 117 LYS HG2 . 18967 1 493 . 1 1 42 42 LYS HG3 H 1 1.058 0.020 . 1 . . . A 117 LYS HG3 . 18967 1 494 . 1 1 42 42 LYS HD2 H 1 1.259 0.020 . 1 . . . A 117 LYS HD2 . 18967 1 495 . 1 1 42 42 LYS HD3 H 1 1.366 0.020 . 1 . . . A 117 LYS HD3 . 18967 1 496 . 1 1 42 42 LYS HE2 H 1 2.320 0.020 . 1 . . . A 117 LYS HE2 . 18967 1 497 . 1 1 42 42 LYS HE3 H 1 2.715 0.020 . 1 . . . A 117 LYS HE3 . 18967 1 498 . 1 1 42 42 LYS C C 13 178.407 0.300 . 1 . . . A 117 LYS C . 18967 1 499 . 1 1 42 42 LYS CA C 13 59.059 0.300 . 1 . . . A 117 LYS CA . 18967 1 500 . 1 1 42 42 LYS CB C 13 32.020 0.300 . 1 . . . A 117 LYS CB . 18967 1 501 . 1 1 42 42 LYS CG C 13 24.496 0.300 . 1 . . . A 117 LYS CG . 18967 1 502 . 1 1 42 42 LYS CD C 13 28.751 0.300 . 1 . . . A 117 LYS CD . 18967 1 503 . 1 1 42 42 LYS CE C 13 41.671 0.300 . 1 . . . A 117 LYS CE . 18967 1 504 . 1 1 42 42 LYS N N 15 119.290 0.250 . 1 . . . A 117 LYS N . 18967 1 505 . 1 1 43 43 LEU H H 1 6.946 0.020 . 1 . . . A 118 LEU H . 18967 1 506 . 1 1 43 43 LEU HA H 1 3.639 0.020 . 1 . . . A 118 LEU HA . 18967 1 507 . 1 1 43 43 LEU HB2 H 1 1.870 0.020 . 1 . . . A 118 LEU HB2 . 18967 1 508 . 1 1 43 43 LEU HB3 H 1 0.828 0.020 . 1 . . . A 118 LEU HB3 . 18967 1 509 . 1 1 43 43 LEU HG H 1 1.683 0.020 . 1 . . . A 118 LEU HG . 18967 1 510 . 1 1 43 43 LEU HD11 H 1 0.556 0.020 . 1 . . . A 118 LEU HD11 . 18967 1 511 . 1 1 43 43 LEU HD12 H 1 0.556 0.020 . 1 . . . A 118 LEU HD12 . 18967 1 512 . 1 1 43 43 LEU HD13 H 1 0.556 0.020 . 1 . . . A 118 LEU HD13 . 18967 1 513 . 1 1 43 43 LEU HD21 H 1 0.290 0.020 . 1 . . . A 118 LEU HD21 . 18967 1 514 . 1 1 43 43 LEU HD22 H 1 0.290 0.020 . 1 . . . A 118 LEU HD22 . 18967 1 515 . 1 1 43 43 LEU HD23 H 1 0.290 0.020 . 1 . . . A 118 LEU HD23 . 18967 1 516 . 1 1 43 43 LEU C C 13 178.387 0.300 . 1 . . . A 118 LEU C . 18967 1 517 . 1 1 43 43 LEU CA C 13 58.993 0.300 . 1 . . . A 118 LEU CA . 18967 1 518 . 1 1 43 43 LEU CB C 13 40.814 0.300 . 1 . . . A 118 LEU CB . 18967 1 519 . 1 1 43 43 LEU CG C 13 27.722 0.300 . 1 . . . A 118 LEU CG . 18967 1 520 . 1 1 43 43 LEU CD1 C 13 26.998 0.300 . 1 . . . A 118 LEU CD1 . 18967 1 521 . 1 1 43 43 LEU CD2 C 13 23.365 0.300 . 1 . . . A 118 LEU CD2 . 18967 1 522 . 1 1 43 43 LEU N N 15 117.143 0.250 . 1 . . . A 118 LEU N . 18967 1 523 . 1 1 44 44 VAL H H 1 7.226 0.020 . 1 . . . A 119 VAL H . 18967 1 524 . 1 1 44 44 VAL HA H 1 3.933 0.020 . 1 . . . A 119 VAL HA . 18967 1 525 . 1 1 44 44 VAL HB H 1 2.153 0.020 . 1 . . . A 119 VAL HB . 18967 1 526 . 1 1 44 44 VAL HG11 H 1 1.022 0.020 . 1 . . . A 119 VAL HG11 . 18967 1 527 . 1 1 44 44 VAL HG12 H 1 1.022 0.020 . 1 . . . A 119 VAL HG12 . 18967 1 528 . 1 1 44 44 VAL HG13 H 1 1.022 0.020 . 1 . . . A 119 VAL HG13 . 18967 1 529 . 1 1 44 44 VAL HG21 H 1 0.828 0.020 . 1 . . . A 119 VAL HG21 . 18967 1 530 . 1 1 44 44 VAL HG22 H 1 0.828 0.020 . 1 . . . A 119 VAL HG22 . 18967 1 531 . 1 1 44 44 VAL HG23 H 1 0.828 0.020 . 1 . . . A 119 VAL HG23 . 18967 1 532 . 1 1 44 44 VAL C C 13 181.923 0.300 . 1 . . . A 119 VAL C . 18967 1 533 . 1 1 44 44 VAL CA C 13 65.189 0.300 . 1 . . . A 119 VAL CA . 18967 1 534 . 1 1 44 44 VAL CB C 13 31.533 0.300 . 1 . . . A 119 VAL CB . 18967 1 535 . 1 1 44 44 VAL CG1 C 13 23.054 0.300 . 1 . . . A 119 VAL CG1 . 18967 1 536 . 1 1 44 44 VAL CG2 C 13 21.095 0.300 . 1 . . . A 119 VAL CG2 . 18967 1 537 . 1 1 44 44 VAL N N 15 117.817 0.250 . 1 . . . A 119 VAL N . 18967 1 538 . 1 1 45 45 ASP H H 1 9.072 0.020 . 1 . . . A 120 ASP H . 18967 1 539 . 1 1 45 45 ASP HA H 1 4.138 0.020 . 1 . . . A 120 ASP HA . 18967 1 540 . 1 1 45 45 ASP HB2 H 1 2.670 0.020 . 1 . . . A 120 ASP HB2 . 18967 1 541 . 1 1 45 45 ASP HB3 H 1 2.549 0.020 . 1 . . . A 120 ASP HB3 . 18967 1 542 . 1 1 45 45 ASP C C 13 178.176 0.300 . 1 . . . A 120 ASP C . 18967 1 543 . 1 1 45 45 ASP CA C 13 57.525 0.300 . 1 . . . A 120 ASP CA . 18967 1 544 . 1 1 45 45 ASP CB C 13 40.155 0.300 . 1 . . . A 120 ASP CB . 18967 1 545 . 1 1 45 45 ASP N N 15 124.253 0.250 . 1 . . . A 120 ASP N . 18967 1 546 . 1 1 46 46 GLU H H 1 7.890 0.020 . 1 . . . A 121 GLU H . 18967 1 547 . 1 1 46 46 GLU HA H 1 4.138 0.020 . 1 . . . A 121 GLU HA . 18967 1 548 . 1 1 46 46 GLU HB2 H 1 1.883 0.020 . 1 . . . A 121 GLU HB2 . 18967 1 549 . 1 1 46 46 GLU HB3 H 1 1.814 0.020 . 1 . . . A 121 GLU HB3 . 18967 1 550 . 1 1 46 46 GLU HG2 H 1 2.321 0.020 . 1 . . . A 121 GLU HG2 . 18967 1 551 . 1 1 46 46 GLU HG3 H 1 2.093 0.020 . 1 . . . A 121 GLU HG3 . 18967 1 552 . 1 1 46 46 GLU C C 13 174.770 0.300 . 1 . . . A 121 GLU C . 18967 1 553 . 1 1 46 46 GLU CA C 13 55.919 0.300 . 1 . . . A 121 GLU CA . 18967 1 554 . 1 1 46 46 GLU CB C 13 29.110 0.300 . 1 . . . A 121 GLU CB . 18967 1 555 . 1 1 46 46 GLU CG C 13 36.600 0.300 . 1 . . . A 121 GLU CG . 18967 1 556 . 1 1 46 46 GLU N N 15 116.083 0.250 . 1 . . . A 121 GLU N . 18967 1 557 . 1 1 47 47 LYS H H 1 7.773 0.020 . 1 . . . A 122 LYS H . 18967 1 558 . 1 1 47 47 LYS HA H 1 3.857 0.020 . 1 . . . A 122 LYS HA . 18967 1 559 . 1 1 47 47 LYS HB2 H 1 1.900 0.020 . 1 . . . A 122 LYS HB2 . 18967 1 560 . 1 1 47 47 LYS HB3 H 1 1.624 0.020 . 1 . . . A 122 LYS HB3 . 18967 1 561 . 1 1 47 47 LYS HG2 H 1 1.120 0.020 . 1 . . . A 122 LYS HG2 . 18967 1 562 . 1 1 47 47 LYS HG3 H 1 1.055 0.020 . 1 . . . A 122 LYS HG3 . 18967 1 563 . 1 1 47 47 LYS HD2 H 1 1.424 0.020 . 1 . . . A 122 LYS HD2 . 18967 1 564 . 1 1 47 47 LYS HD3 H 1 1.381 0.020 . 1 . . . A 122 LYS HD3 . 18967 1 565 . 1 1 47 47 LYS HE2 H 1 2.794 0.020 . 1 . . . A 122 LYS HE2 . 18967 1 566 . 1 1 47 47 LYS HE3 H 1 2.700 0.020 . 1 . . . A 122 LYS HE3 . 18967 1 567 . 1 1 47 47 LYS C C 13 175.338 0.300 . 1 . . . A 122 LYS C . 18967 1 568 . 1 1 47 47 LYS CA C 13 56.862 0.300 . 1 . . . A 122 LYS CA . 18967 1 569 . 1 1 47 47 LYS CB C 13 28.704 0.300 . 1 . . . A 122 LYS CB . 18967 1 570 . 1 1 47 47 LYS CG C 13 25.029 0.300 . 1 . . . A 122 LYS CG . 18967 1 571 . 1 1 47 47 LYS CD C 13 29.122 0.300 . 1 . . . A 122 LYS CD . 18967 1 572 . 1 1 47 47 LYS CE C 13 42.087 0.300 . 1 . . . A 122 LYS CE . 18967 1 573 . 1 1 47 47 LYS N N 15 116.507 0.250 . 1 . . . A 122 LYS N . 18967 1 574 . 1 1 48 48 LYS H H 1 8.313 0.020 . 1 . . . A 123 LYS H . 18967 1 575 . 1 1 48 48 LYS HA H 1 4.343 0.020 . 1 . . . A 123 LYS HA . 18967 1 576 . 1 1 48 48 LYS HB2 H 1 1.430 0.020 . 1 . . . A 123 LYS HB2 . 18967 1 577 . 1 1 48 48 LYS HB3 H 1 1.379 0.020 . 1 . . . A 123 LYS HB3 . 18967 1 578 . 1 1 48 48 LYS HG2 H 1 1.150 0.020 . 1 . . . A 123 LYS HG2 . 18967 1 579 . 1 1 48 48 LYS HG3 H 1 1.073 0.020 . 1 . . . A 123 LYS HG3 . 18967 1 580 . 1 1 48 48 LYS HD2 H 1 1.357 0.020 . 1 . . . A 123 LYS HD2 . 18967 1 581 . 1 1 48 48 LYS HD3 H 1 1.241 0.020 . 1 . . . A 123 LYS HD3 . 18967 1 582 . 1 1 48 48 LYS HE2 H 1 2.560 0.020 . 1 . . . A 123 LYS HE2 . 18967 1 583 . 1 1 48 48 LYS HE3 H 1 2.560 0.020 . 1 . . . A 123 LYS HE3 . 18967 1 584 . 1 1 48 48 LYS C C 13 175.043 0.300 . 1 . . . A 123 LYS C . 18967 1 585 . 1 1 48 48 LYS CA C 13 53.438 0.300 . 1 . . . A 123 LYS CA . 18967 1 586 . 1 1 48 48 LYS CB C 13 33.321 0.300 . 1 . . . A 123 LYS CB . 18967 1 587 . 1 1 48 48 LYS CG C 13 24.654 0.300 . 1 . . . A 123 LYS CG . 18967 1 588 . 1 1 48 48 LYS CD C 13 27.971 0.300 . 1 . . . A 123 LYS CD . 18967 1 589 . 1 1 48 48 LYS CE C 13 42.157 0.300 . 1 . . . A 123 LYS CE . 18967 1 590 . 1 1 48 48 LYS N N 15 117.470 0.250 . 1 . . . A 123 LYS N . 18967 1 591 . 1 1 49 49 ARG H H 1 7.808 0.020 . 1 . . . A 124 ARG H . 18967 1 592 . 1 1 49 49 ARG HA H 1 3.910 0.020 . 1 . . . A 124 ARG HA . 18967 1 593 . 1 1 49 49 ARG HB2 H 1 1.034 0.020 . 1 . . . A 124 ARG HB2 . 18967 1 594 . 1 1 49 49 ARG HB3 H 1 0.923 0.020 . 1 . . . A 124 ARG HB3 . 18967 1 595 . 1 1 49 49 ARG HG2 H 1 1.034 0.020 . 1 . . . A 124 ARG HG2 . 18967 1 596 . 1 1 49 49 ARG HG3 H 1 0.171 0.020 . 1 . . . A 124 ARG HG3 . 18967 1 597 . 1 1 49 49 ARG HD2 H 1 2.434 0.020 . 1 . . . A 124 ARG HD2 . 18967 1 598 . 1 1 49 49 ARG HD3 H 1 2.259 0.020 . 1 . . . A 124 ARG HD3 . 18967 1 599 . 1 1 49 49 ARG C C 13 174.585 0.300 . 1 . . . A 124 ARG C . 18967 1 600 . 1 1 49 49 ARG CA C 13 55.658 0.300 . 1 . . . A 124 ARG CA . 18967 1 601 . 1 1 49 49 ARG CB C 13 31.791 0.300 . 1 . . . A 124 ARG CB . 18967 1 602 . 1 1 49 49 ARG CG C 13 28.425 0.300 . 1 . . . A 124 ARG CG . 18967 1 603 . 1 1 49 49 ARG CD C 13 43.217 0.300 . 1 . . . A 124 ARG CD . 18967 1 604 . 1 1 49 49 ARG N N 15 117.335 0.250 . 1 . . . A 124 ARG N . 18967 1 605 . 1 1 50 50 PHE H H 1 8.751 0.020 . 1 . . . A 125 PHE H . 18967 1 606 . 1 1 50 50 PHE HA H 1 4.522 0.020 . 1 . . . A 125 PHE HA . 18967 1 607 . 1 1 50 50 PHE HB2 H 1 2.878 0.020 . 1 . . . A 125 PHE HB2 . 18967 1 608 . 1 1 50 50 PHE HB3 H 1 2.461 0.020 . 1 . . . A 125 PHE HB3 . 18967 1 609 . 1 1 50 50 PHE HD2 H 1 6.882 0.020 . 1 . . . A 125 PHE HD2 . 18967 1 610 . 1 1 50 50 PHE HD1 H 1 6.882 0.020 . 1 . . . A 125 PHE HD1 . 18967 1 611 . 1 1 50 50 PHE HE2 H 1 6.777 0.020 . 1 . . . A 125 PHE HE2 . 18967 1 612 . 1 1 50 50 PHE HE1 H 1 6.777 0.020 . 1 . . . A 125 PHE HE1 . 18967 1 613 . 1 1 50 50 PHE HZ H 1 7.055 0.020 . 1 . . . A 125 PHE HZ . 18967 1 614 . 1 1 50 50 PHE C C 13 175.775 0.300 . 1 . . . A 125 PHE C . 18967 1 615 . 1 1 50 50 PHE CA C 13 57.206 0.300 . 1 . . . A 125 PHE CA . 18967 1 616 . 1 1 50 50 PHE CB C 13 41.560 0.300 . 1 . . . A 125 PHE CB . 18967 1 617 . 1 1 50 50 PHE CD1 C 13 131.695 0.300 . 1 . . . A 125 PHE CD1 . 18967 1 618 . 1 1 50 50 PHE CD2 C 13 131.695 0.300 . 1 . . . A 125 PHE CD2 . 18967 1 619 . 1 1 50 50 PHE CE1 C 13 129.759 0.300 . 1 . . . A 125 PHE CE1 . 18967 1 620 . 1 1 50 50 PHE CE2 C 13 129.759 0.300 . 1 . . . A 125 PHE CE2 . 18967 1 621 . 1 1 50 50 PHE CZ C 13 129.726 0.300 . 1 . . . A 125 PHE CZ . 18967 1 622 . 1 1 50 50 PHE N N 15 118.241 0.250 . 1 . . . A 125 PHE N . 18967 1 623 . 1 1 51 51 HIS H H 1 8.361 0.020 . 1 . . . A 126 HIS H . 18967 1 624 . 1 1 51 51 HIS HA H 1 5.353 0.020 . 1 . . . A 126 HIS HA . 18967 1 625 . 1 1 51 51 HIS HB2 H 1 2.597 0.020 . 1 . . . A 126 HIS HB2 . 18967 1 626 . 1 1 51 51 HIS HB3 H 1 2.507 0.020 . 1 . . . A 126 HIS HB3 . 18967 1 627 . 1 1 51 51 HIS HD2 H 1 6.640 0.020 . 1 . . . A 126 HIS HD2 . 18967 1 628 . 1 1 51 51 HIS HE1 H 1 7.228 0.020 . 1 . . . A 126 HIS HE1 . 18967 1 629 . 1 1 51 51 HIS C C 13 175.729 0.300 . 1 . . . A 126 HIS C . 18967 1 630 . 1 1 51 51 HIS CA C 13 54.907 0.300 . 1 . . . A 126 HIS CA . 18967 1 631 . 1 1 51 51 HIS CB C 13 33.130 0.300 . 1 . . . A 126 HIS CB . 18967 1 632 . 1 1 51 51 HIS CE1 C 13 137.892 0.300 . 1 . . . A 126 HIS CE1 . 18967 1 633 . 1 1 51 51 HIS N N 15 118.530 0.250 . 1 . . . A 126 HIS N . 18967 1 634 . 1 1 52 52 GLU H H 1 8.758 0.020 . 1 . . . A 127 GLU H . 18967 1 635 . 1 1 52 52 GLU HA H 1 3.882 0.020 . 1 . . . A 127 GLU HA . 18967 1 636 . 1 1 52 52 GLU HB2 H 1 1.396 0.020 . 1 . . . A 127 GLU HB2 . 18967 1 637 . 1 1 52 52 GLU HB3 H 1 -0.292 0.020 . 1 . . . A 127 GLU HB3 . 18967 1 638 . 1 1 52 52 GLU HG2 H 1 1.100 0.020 . 1 . . . A 127 GLU HG2 . 18967 1 639 . 1 1 52 52 GLU HG3 H 1 0.273 0.020 . 1 . . . A 127 GLU HG3 . 18967 1 640 . 1 1 52 52 GLU C C 13 174.793 0.300 . 1 . . . A 127 GLU C . 18967 1 641 . 1 1 52 52 GLU CA C 13 55.035 0.300 . 1 . . . A 127 GLU CA . 18967 1 642 . 1 1 52 52 GLU CB C 13 29.170 0.300 . 1 . . . A 127 GLU CB . 18967 1 643 . 1 1 52 52 GLU CG C 13 35.373 0.300 . 1 . . . A 127 GLU CG . 18967 1 644 . 1 1 52 52 GLU N N 15 131.788 0.250 . 1 . . . A 127 GLU N . 18967 1 645 . 1 1 53 53 ILE H H 1 8.703 0.020 . 1 . . . A 128 ILE H . 18967 1 646 . 1 1 53 53 ILE HA H 1 3.985 0.020 . 1 . . . A 128 ILE HA . 18967 1 647 . 1 1 53 53 ILE HB H 1 1.406 0.020 . 1 . . . A 128 ILE HB . 18967 1 648 . 1 1 53 53 ILE HG12 H 1 1.111 0.020 . 1 . . . A 128 ILE HG12 . 18967 1 649 . 1 1 53 53 ILE HG13 H 1 0.627 0.020 . 1 . . . A 128 ILE HG13 . 18967 1 650 . 1 1 53 53 ILE HG21 H 1 0.600 0.020 . 1 . . . A 128 ILE HG21 . 18967 1 651 . 1 1 53 53 ILE HG22 H 1 0.600 0.020 . 1 . . . A 128 ILE HG22 . 18967 1 652 . 1 1 53 53 ILE HG23 H 1 0.600 0.020 . 1 . . . A 128 ILE HG23 . 18967 1 653 . 1 1 53 53 ILE HD11 H 1 0.550 0.020 . 1 . . . A 128 ILE HD11 . 18967 1 654 . 1 1 53 53 ILE HD12 H 1 0.550 0.020 . 1 . . . A 128 ILE HD12 . 18967 1 655 . 1 1 53 53 ILE HD13 H 1 0.550 0.020 . 1 . . . A 128 ILE HD13 . 18967 1 656 . 1 1 53 53 ILE C C 13 175.891 0.300 . 1 . . . A 128 ILE C . 18967 1 657 . 1 1 53 53 ILE CA C 13 60.463 0.300 . 1 . . . A 128 ILE CA . 18967 1 658 . 1 1 53 53 ILE CB C 13 40.488 0.300 . 1 . . . A 128 ILE CB . 18967 1 659 . 1 1 53 53 ILE CG1 C 13 27.101 0.300 . 1 . . . A 128 ILE CG1 . 18967 1 660 . 1 1 53 53 ILE CG2 C 13 16.637 0.300 . 1 . . . A 128 ILE CG2 . 18967 1 661 . 1 1 53 53 ILE CD1 C 13 13.103 0.300 . 1 . . . A 128 ILE CD1 . 18967 1 662 . 1 1 53 53 ILE N N 15 128.184 0.250 . 1 . . . A 128 ILE N . 18967 1 663 . 1 1 54 54 ALA H H 1 9.154 0.020 . 1 . . . A 129 ALA H . 18967 1 664 . 1 1 54 54 ALA HA H 1 3.678 0.020 . 1 . . . A 129 ALA HA . 18967 1 665 . 1 1 54 54 ALA HB1 H 1 1.102 0.020 . 1 . . . A 129 ALA HB1 . 18967 1 666 . 1 1 54 54 ALA HB2 H 1 1.102 0.020 . 1 . . . A 129 ALA HB2 . 18967 1 667 . 1 1 54 54 ALA HB3 H 1 1.102 0.020 . 1 . . . A 129 ALA HB3 . 18967 1 668 . 1 1 54 54 ALA C C 13 177.344 0.300 . 1 . . . A 129 ALA C . 18967 1 669 . 1 1 54 54 ALA CA C 13 52.736 0.300 . 1 . . . A 129 ALA CA . 18967 1 670 . 1 1 54 54 ALA CB C 13 16.845 0.300 . 1 . . . A 129 ALA CB . 18967 1 671 . 1 1 54 54 ALA N N 15 132.539 0.250 . 1 . . . A 129 ALA N . 18967 1 672 . 1 1 55 55 GLY H H 1 8.300 0.020 . 1 . . . A 130 GLY H . 18967 1 673 . 1 1 55 55 GLY HA2 H 1 3.700 0.020 . 1 . . . A 130 GLY HA2 . 18967 1 674 . 1 1 55 55 GLY HA3 H 1 3.178 0.020 . 1 . . . A 130 GLY HA3 . 18967 1 675 . 1 1 55 55 GLY C C 13 173.476 0.300 . 1 . . . A 130 GLY C . 18967 1 676 . 1 1 55 55 GLY CA C 13 45.326 0.300 . 1 . . . A 130 GLY CA . 18967 1 677 . 1 1 55 55 GLY N N 15 102.343 0.250 . 1 . . . A 130 GLY N . 18967 1 678 . 1 1 56 56 ARG H H 1 7.432 0.020 . 1 . . . A 131 ARG H . 18967 1 679 . 1 1 56 56 ARG HA H 1 4.407 0.020 . 1 . . . A 131 ARG HA . 18967 1 680 . 1 1 56 56 ARG HB2 H 1 1.719 0.020 . 1 . . . A 131 ARG HB2 . 18967 1 681 . 1 1 56 56 ARG HB3 H 1 1.520 0.020 . 1 . . . A 131 ARG HB3 . 18967 1 682 . 1 1 56 56 ARG HG2 H 1 1.425 0.020 . 1 . . . A 131 ARG HG2 . 18967 1 683 . 1 1 56 56 ARG HG3 H 1 1.360 0.020 . 1 . . . A 131 ARG HG3 . 18967 1 684 . 1 1 56 56 ARG HD2 H 1 2.969 0.020 . 1 . . . A 131 ARG HD2 . 18967 1 685 . 1 1 56 56 ARG HD3 H 1 2.947 0.020 . 1 . . . A 131 ARG HD3 . 18967 1 686 . 1 1 56 56 ARG C C 13 174.194 0.300 . 1 . . . A 131 ARG C . 18967 1 687 . 1 1 56 56 ARG CA C 13 53.757 0.300 . 1 . . . A 131 ARG CA . 18967 1 688 . 1 1 56 56 ARG CB C 13 32.641 0.300 . 1 . . . A 131 ARG CB . 18967 1 689 . 1 1 56 56 ARG CG C 13 26.906 0.300 . 1 . . . A 131 ARG CG . 18967 1 690 . 1 1 56 56 ARG CD C 13 43.165 0.300 . 1 . . . A 131 ARG CD . 18967 1 691 . 1 1 56 56 ARG N N 15 119.821 0.250 . 1 . . . A 131 ARG N . 18967 1 692 . 1 1 57 57 TRP H H 1 8.792 0.020 . 1 . . . A 132 TRP H . 18967 1 693 . 1 1 57 57 TRP HA H 1 4.660 0.020 . 1 . . . A 132 TRP HA . 18967 1 694 . 1 1 57 57 TRP HB2 H 1 2.874 0.020 . 1 . . . A 132 TRP HB2 . 18967 1 695 . 1 1 57 57 TRP HB3 H 1 2.693 0.020 . 1 . . . A 132 TRP HB3 . 18967 1 696 . 1 1 57 57 TRP HD1 H 1 6.982 0.020 . 1 . . . A 132 TRP HD1 . 18967 1 697 . 1 1 57 57 TRP HE1 H 1 9.681 0.020 . 1 . . . A 132 TRP HE1 . 18967 1 698 . 1 1 57 57 TRP HE3 H 1 6.903 0.020 . 1 . . . A 132 TRP HE3 . 18967 1 699 . 1 1 57 57 TRP HZ2 H 1 6.850 0.020 . 1 . . . A 132 TRP HZ2 . 18967 1 700 . 1 1 57 57 TRP HZ3 H 1 6.670 0.020 . 1 . . . A 132 TRP HZ3 . 18967 1 701 . 1 1 57 57 TRP HH2 H 1 6.450 0.020 . 1 . . . A 132 TRP HH2 . 18967 1 702 . 1 1 57 57 TRP C C 13 177.066 0.300 . 1 . . . A 132 TRP C . 18967 1 703 . 1 1 57 57 TRP CA C 13 58.036 0.300 . 1 . . . A 132 TRP CA . 18967 1 704 . 1 1 57 57 TRP CB C 13 30.384 0.300 . 1 . . . A 132 TRP CB . 18967 1 705 . 1 1 57 57 TRP CD1 C 13 126.361 0.300 . 1 . . . A 132 TRP CD1 . 18967 1 706 . 1 1 57 57 TRP CE2 C 13 139.430 0.300 . 1 . . . A 132 TRP CE2 . 18967 1 707 . 1 1 57 57 TRP CE3 C 13 119.022 0.300 . 1 . . . A 132 TRP CE3 . 18967 1 708 . 1 1 57 57 TRP CZ2 C 13 114.305 0.300 . 1 . . . A 132 TRP CZ2 . 18967 1 709 . 1 1 57 57 TRP CZ3 C 13 122.535 0.300 . 1 . . . A 132 TRP CZ3 . 18967 1 710 . 1 1 57 57 TRP CH2 C 13 123.879 0.300 . 1 . . . A 132 TRP CH2 . 18967 1 711 . 1 1 57 57 TRP N N 15 121.613 0.250 . 1 . . . A 132 TRP N . 18967 1 712 . 1 1 57 57 TRP NE1 N 15 128.319 0.250 . 1 . . . A 132 TRP NE1 . 18967 1 713 . 1 1 58 58 THR H H 1 8.717 0.020 . 1 . . . A 133 THR H . 18967 1 714 . 1 1 58 58 THR HA H 1 5.672 0.020 . 1 . . . A 133 THR HA . 18967 1 715 . 1 1 58 58 THR HB H 1 4.274 0.020 . 1 . . . A 133 THR HB . 18967 1 716 . 1 1 58 58 THR HG21 H 1 1.017 0.020 . 1 . . . A 133 THR HG21 . 18967 1 717 . 1 1 58 58 THR HG22 H 1 1.017 0.020 . 1 . . . A 133 THR HG22 . 18967 1 718 . 1 1 58 58 THR HG23 H 1 1.017 0.020 . 1 . . . A 133 THR HG23 . 18967 1 719 . 1 1 58 58 THR C C 13 174.072 0.300 . 1 . . . A 133 THR C . 18967 1 720 . 1 1 58 58 THR CA C 13 60.366 0.300 . 1 . . . A 133 THR CA . 18967 1 721 . 1 1 58 58 THR CB C 13 74.228 0.300 . 1 . . . A 133 THR CB . 18967 1 722 . 1 1 58 58 THR CG2 C 13 21.735 0.300 . 1 . . . A 133 THR CG2 . 18967 1 723 . 1 1 58 58 THR N N 15 113.385 0.250 . 1 . . . A 133 THR N . 18967 1 724 . 1 1 59 59 GLY H H 1 7.801 0.020 . 1 . . . A 134 GLY H . 18967 1 725 . 1 1 59 59 GLY HA2 H 1 4.695 0.020 . 1 . . . A 134 GLY HA2 . 18967 1 726 . 1 1 59 59 GLY HA3 H 1 2.990 0.020 . 1 . . . A 134 GLY HA3 . 18967 1 727 . 1 1 59 59 GLY C C 13 171.492 0.300 . 1 . . . A 134 GLY C . 18967 1 728 . 1 1 59 59 GLY CA C 13 44.672 0.300 . 1 . . . A 134 GLY CA . 18967 1 729 . 1 1 59 59 GLY N N 15 106.120 0.250 . 1 . . . A 134 GLY N . 18967 1 730 . 1 1 60 60 GLN H H 1 6.666 0.020 . 1 . . . A 135 GLN H . 18967 1 731 . 1 1 60 60 GLN HA H 1 5.323 0.020 . 1 . . . A 135 GLN HA . 18967 1 732 . 1 1 60 60 GLN HB2 H 1 1.778 0.020 . 1 . . . A 135 GLN HB2 . 18967 1 733 . 1 1 60 60 GLN HB3 H 1 1.679 0.020 . 1 . . . A 135 GLN HB3 . 18967 1 734 . 1 1 60 60 GLN HG2 H 1 2.186 0.020 . 1 . . . A 135 GLN HG2 . 18967 1 735 . 1 1 60 60 GLN HG3 H 1 1.934 0.020 . 1 . . . A 135 GLN HG3 . 18967 1 736 . 1 1 60 60 GLN HE21 H 1 6.611 0.020 . 1 . . . A 135 GLN HE21 . 18967 1 737 . 1 1 60 60 GLN HE22 H 1 6.468 0.020 . 1 . . . A 135 GLN HE22 . 18967 1 738 . 1 1 60 60 GLN C C 13 174.127 0.300 . 1 . . . A 135 GLN C . 18967 1 739 . 1 1 60 60 GLN CA C 13 55.226 0.300 . 1 . . . A 135 GLN CA . 18967 1 740 . 1 1 60 60 GLN CB C 13 31.852 0.300 . 1 . . . A 135 GLN CB . 18967 1 741 . 1 1 60 60 GLN CG C 13 34.692 0.300 . 1 . . . A 135 GLN CG . 18967 1 742 . 1 1 60 60 GLN N N 15 121.960 0.250 . 1 . . . A 135 GLN N . 18967 1 743 . 1 1 60 60 GLN NE2 N 15 110.167 0.250 . 1 . . . A 135 GLN NE2 . 18967 1 744 . 1 1 61 61 CYS H H 1 9.059 0.020 . 1 . . . A 136 CYS H . 18967 1 745 . 1 1 61 61 CYS HA H 1 4.392 0.020 . 1 . . . A 136 CYS HA . 18967 1 746 . 1 1 61 61 CYS HB2 H 1 3.606 0.020 . 1 . . . A 136 CYS HB2 . 18967 1 747 . 1 1 61 61 CYS HB3 H 1 2.444 0.020 . 1 . . . A 136 CYS HB3 . 18967 1 748 . 1 1 61 61 CYS C C 13 174.515 0.300 . 1 . . . A 136 CYS C . 18967 1 749 . 1 1 61 61 CYS CA C 13 58.044 0.300 . 1 . . . A 136 CYS CA . 18967 1 750 . 1 1 61 61 CYS CB C 13 30.910 0.300 . 1 . . . A 136 CYS CB . 18967 1 751 . 1 1 61 61 CYS N N 15 127.144 0.250 . 1 . . . A 136 CYS N . 18967 1 752 . 1 1 62 62 ALA H H 1 9.421 0.020 . 1 . . . A 137 ALA H . 18967 1 753 . 1 1 62 62 ALA HA H 1 4.046 0.020 . 1 . . . A 137 ALA HA . 18967 1 754 . 1 1 62 62 ALA HB1 H 1 1.293 0.020 . 1 . . . A 137 ALA HB1 . 18967 1 755 . 1 1 62 62 ALA HB2 H 1 1.293 0.020 . 1 . . . A 137 ALA HB2 . 18967 1 756 . 1 1 62 62 ALA HB3 H 1 1.293 0.020 . 1 . . . A 137 ALA HB3 . 18967 1 757 . 1 1 62 62 ALA C C 13 180.471 0.300 . 1 . . . A 137 ALA C . 18967 1 758 . 1 1 62 62 ALA CA C 13 55.263 0.300 . 1 . . . A 137 ALA CA . 18967 1 759 . 1 1 62 62 ALA CB C 13 18.824 0.300 . 1 . . . A 137 ALA CB . 18967 1 760 . 1 1 62 62 ALA N N 15 120.727 0.250 . 1 . . . A 137 ALA N . 18967 1 761 . 1 1 63 63 ASN H H 1 8.402 0.020 . 1 . . . A 138 ASN H . 18967 1 762 . 1 1 63 63 ASN HA H 1 4.350 0.020 . 1 . . . A 138 ASN HA . 18967 1 763 . 1 1 63 63 ASN HB2 H 1 2.795 0.020 . 1 . . . A 138 ASN HB2 . 18967 1 764 . 1 1 63 63 ASN HB3 H 1 2.685 0.020 . 1 . . . A 138 ASN HB3 . 18967 1 765 . 1 1 63 63 ASN HD21 H 1 7.684 0.020 . 1 . . . A 138 ASN HD21 . 18967 1 766 . 1 1 63 63 ASN HD22 H 1 6.871 0.020 . 1 . . . A 138 ASN HD22 . 18967 1 767 . 1 1 63 63 ASN C C 13 177.697 0.300 . 1 . . . A 138 ASN C . 18967 1 768 . 1 1 63 63 ASN CA C 13 55.929 0.300 . 1 . . . A 138 ASN CA . 18967 1 769 . 1 1 63 63 ASN CB C 13 39.005 0.300 . 1 . . . A 138 ASN CB . 18967 1 770 . 1 1 63 63 ASN CG C 13 176.394 0.300 . 1 . . . A 138 ASN CG . 18967 1 771 . 1 1 63 63 ASN N N 15 118.029 0.250 . 1 . . . A 138 ASN N . 18967 1 772 . 1 1 63 63 ASN ND2 N 15 113.886 0.250 . 1 . . . A 138 ASN ND2 . 18967 1 773 . 1 1 64 64 CYS H H 1 8.566 0.020 . 1 . . . A 139 CYS H . 18967 1 774 . 1 1 64 64 CYS HA H 1 3.806 0.020 . 1 . . . A 139 CYS HA . 18967 1 775 . 1 1 64 64 CYS HB2 H 1 2.699 0.020 . 1 . . . A 139 CYS HB2 . 18967 1 776 . 1 1 64 64 CYS HB3 H 1 2.616 0.020 . 1 . . . A 139 CYS HB3 . 18967 1 777 . 1 1 64 64 CYS C C 13 176.922 0.300 . 1 . . . A 139 CYS C . 18967 1 778 . 1 1 64 64 CYS CA C 13 63.337 0.300 . 1 . . . A 139 CYS CA . 18967 1 779 . 1 1 64 64 CYS CB C 13 29.362 0.300 . 1 . . . A 139 CYS CB . 18967 1 780 . 1 1 64 64 CYS N N 15 124.099 0.250 . 1 . . . A 139 CYS N . 18967 1 781 . 1 1 65 65 TRP H H 1 8.089 0.020 . 1 . . . A 140 TRP H . 18967 1 782 . 1 1 65 65 TRP HA H 1 4.074 0.020 . 1 . . . A 140 TRP HA . 18967 1 783 . 1 1 65 65 TRP HB2 H 1 3.133 0.020 . 1 . . . A 140 TRP HB2 . 18967 1 784 . 1 1 65 65 TRP HB3 H 1 3.081 0.020 . 1 . . . A 140 TRP HB3 . 18967 1 785 . 1 1 65 65 TRP HD1 H 1 6.962 0.020 . 1 . . . A 140 TRP HD1 . 18967 1 786 . 1 1 65 65 TRP HE1 H 1 9.989 0.020 . 1 . . . A 140 TRP HE1 . 18967 1 787 . 1 1 65 65 TRP HE3 H 1 7.282 0.020 . 1 . . . A 140 TRP HE3 . 18967 1 788 . 1 1 65 65 TRP HZ2 H 1 7.202 0.020 . 1 . . . A 140 TRP HZ2 . 18967 1 789 . 1 1 65 65 TRP HZ3 H 1 6.886 0.020 . 1 . . . A 140 TRP HZ3 . 18967 1 790 . 1 1 65 65 TRP HH2 H 1 6.803 0.020 . 1 . . . A 140 TRP HH2 . 18967 1 791 . 1 1 65 65 TRP C C 13 177.459 0.300 . 1 . . . A 140 TRP C . 18967 1 792 . 1 1 65 65 TRP CA C 13 58.734 0.300 . 1 . . . A 140 TRP CA . 18967 1 793 . 1 1 65 65 TRP CB C 13 29.268 0.300 . 1 . . . A 140 TRP CB . 18967 1 794 . 1 1 65 65 TRP CD1 C 13 125.822 0.300 . 1 . . . A 140 TRP CD1 . 18967 1 795 . 1 1 65 65 TRP CE2 C 13 138.343 0.300 . 1 . . . A 140 TRP CE2 . 18967 1 796 . 1 1 65 65 TRP CE3 C 13 120.946 0.300 . 1 . . . A 140 TRP CE3 . 18967 1 797 . 1 1 65 65 TRP CZ2 C 13 113.946 0.300 . 1 . . . A 140 TRP CZ2 . 18967 1 798 . 1 1 65 65 TRP CZ3 C 13 121.569 0.300 . 1 . . . A 140 TRP CZ3 . 18967 1 799 . 1 1 65 65 TRP CH2 C 13 124.017 0.300 . 1 . . . A 140 TRP CH2 . 18967 1 800 . 1 1 65 65 TRP N N 15 121.992 0.250 . 1 . . . A 140 TRP N . 18967 1 801 . 1 1 65 65 TRP NE1 N 15 129.129 0.250 . 1 . . . A 140 TRP NE1 . 18967 1 802 . 1 1 66 66 GLN H H 1 7.890 0.020 . 1 . . . A 141 GLN H . 18967 1 803 . 1 1 66 66 GLN HA H 1 3.806 0.020 . 1 . . . A 141 GLN HA . 18967 1 804 . 1 1 66 66 GLN HB2 H 1 1.889 0.020 . 1 . . . A 141 GLN HB2 . 18967 1 805 . 1 1 66 66 GLN HB3 H 1 1.771 0.020 . 1 . . . A 141 GLN HB3 . 18967 1 806 . 1 1 66 66 GLN HG2 H 1 2.144 0.020 . 1 . . . A 141 GLN HG2 . 18967 1 807 . 1 1 66 66 GLN HG3 H 1 2.130 0.020 . 1 . . . A 141 GLN HG3 . 18967 1 808 . 1 1 66 66 GLN HE21 H 1 7.254 0.020 . 1 . . . A 141 GLN HE21 . 18967 1 809 . 1 1 66 66 GLN HE22 H 1 6.686 0.020 . 1 . . . A 141 GLN HE22 . 18967 1 810 . 1 1 66 66 GLN C C 13 176.723 0.300 . 1 . . . A 141 GLN C . 18967 1 811 . 1 1 66 66 GLN CA C 13 57.206 0.300 . 1 . . . A 141 GLN CA . 18967 1 812 . 1 1 66 66 GLN CB C 13 28.640 0.300 . 1 . . . A 141 GLN CB . 18967 1 813 . 1 1 66 66 GLN CG C 13 33.403 0.300 . 1 . . . A 141 GLN CG . 18967 1 814 . 1 1 66 66 GLN N N 15 119.840 0.250 . 1 . . . A 141 GLN N . 18967 1 815 . 1 1 66 66 GLN NE2 N 15 112.132 0.250 . 1 . . . A 141 GLN NE2 . 18967 1 816 . 1 1 67 67 ARG H H 1 7.801 0.020 . 1 . . . A 142 ARG H . 18967 1 817 . 1 1 67 67 ARG HA H 1 3.972 0.020 . 1 . . . A 142 ARG HA . 18967 1 818 . 1 1 67 67 ARG HB2 H 1 1.681 0.020 . 1 . . . A 142 ARG HB2 . 18967 1 819 . 1 1 67 67 ARG HB3 H 1 1.611 0.020 . 1 . . . A 142 ARG HB3 . 18967 1 820 . 1 1 67 67 ARG HG2 H 1 1.488 0.020 . 1 . . . A 142 ARG HG2 . 18967 1 821 . 1 1 67 67 ARG HG3 H 1 1.400 0.020 . 1 . . . A 142 ARG HG3 . 18967 1 822 . 1 1 67 67 ARG HD2 H 1 3.005 0.020 . 1 . . . A 142 ARG HD2 . 18967 1 823 . 1 1 67 67 ARG HD3 H 1 2.954 0.020 . 1 . . . A 142 ARG HD3 . 18967 1 824 . 1 1 67 67 ARG C C 13 177.244 0.300 . 1 . . . A 142 ARG C . 18967 1 825 . 1 1 67 67 ARG CA C 13 57.270 0.300 . 1 . . . A 142 ARG CA . 18967 1 826 . 1 1 67 67 ARG CB C 13 30.257 0.300 . 1 . . . A 142 ARG CB . 18967 1 827 . 1 1 67 67 ARG CG C 13 27.171 0.300 . 1 . . . A 142 ARG CG . 18967 1 828 . 1 1 67 67 ARG CD C 13 43.084 0.300 . 1 . . . A 142 ARG CD . 18967 1 829 . 1 1 67 67 ARG N N 15 120.052 0.250 . 1 . . . A 142 ARG N . 18967 1 830 . 1 1 68 68 THR H H 1 7.821 0.020 . 1 . . . A 143 THR H . 18967 1 831 . 1 1 68 68 THR HA H 1 4.037 0.020 . 1 . . . A 143 THR HA . 18967 1 832 . 1 1 68 68 THR HB H 1 4.026 0.020 . 1 . . . A 143 THR HB . 18967 1 833 . 1 1 68 68 THR HG21 H 1 0.976 0.020 . 1 . . . A 143 THR HG21 . 18967 1 834 . 1 1 68 68 THR HG22 H 1 0.976 0.020 . 1 . . . A 143 THR HG22 . 18967 1 835 . 1 1 68 68 THR HG23 H 1 0.976 0.020 . 1 . . . A 143 THR HG23 . 18967 1 836 . 1 1 68 68 THR C C 13 174.825 0.300 . 1 . . . A 143 THR C . 18967 1 837 . 1 1 68 68 THR CA C 13 62.851 0.300 . 1 . . . A 143 THR CA . 18967 1 838 . 1 1 68 68 THR CB C 13 69.717 0.300 . 1 . . . A 143 THR CB . 18967 1 839 . 1 1 68 68 THR CG2 C 13 21.472 0.300 . 1 . . . A 143 THR CG2 . 18967 1 840 . 1 1 68 68 THR N N 15 113.500 0.250 . 1 . . . A 143 THR N . 18967 1 841 . 1 1 69 69 ARG H H 1 7.931 0.020 . 1 . . . A 144 ARG H . 18967 1 842 . 1 1 69 69 ARG HA H 1 4.005 0.020 . 1 . . . A 144 ARG HA . 18967 1 843 . 1 1 69 69 ARG HB2 H 1 1.629 0.020 . 1 . . . A 144 ARG HB2 . 18967 1 844 . 1 1 69 69 ARG HB3 H 1 1.552 0.020 . 1 . . . A 144 ARG HB3 . 18967 1 845 . 1 1 69 69 ARG HG2 H 1 1.483 0.020 . 1 . . . A 144 ARG HG2 . 18967 1 846 . 1 1 69 69 ARG HG3 H 1 1.401 0.020 . 1 . . . A 144 ARG HG3 . 18967 1 847 . 1 1 69 69 ARG HD2 H 1 2.950 0.020 . 1 . . . A 144 ARG HD2 . 18967 1 848 . 1 1 69 69 ARG HD3 H 1 2.765 0.020 . 1 . . . A 144 ARG HD3 . 18967 1 849 . 1 1 69 69 ARG C C 13 176.534 0.300 . 1 . . . A 144 ARG C . 18967 1 850 . 1 1 69 69 ARG CA C 13 56.504 0.300 . 1 . . . A 144 ARG CA . 18967 1 851 . 1 1 69 69 ARG CB C 13 30.320 0.300 . 1 . . . A 144 ARG CB . 18967 1 852 . 1 1 69 69 ARG CG C 13 26.701 0.300 . 1 . . . A 144 ARG CG . 18967 1 853 . 1 1 69 69 ARG CD C 13 43.040 0.300 . 1 . . . A 144 ARG CD . 18967 1 854 . 1 1 69 69 ARG N N 15 122.846 0.250 . 1 . . . A 144 ARG N . 18967 1 855 . 1 1 70 70 GLN H H 1 8.177 0.020 . 1 . . . A 145 GLN H . 18967 1 856 . 1 1 70 70 GLN HA H 1 4.010 0.020 . 1 . . . A 145 GLN HA . 18967 1 857 . 1 1 70 70 GLN HB2 H 1 1.886 0.020 . 1 . . . A 145 GLN HB2 . 18967 1 858 . 1 1 70 70 GLN HB3 H 1 1.777 0.020 . 1 . . . A 145 GLN HB3 . 18967 1 859 . 1 1 70 70 GLN HG2 H 1 2.151 0.020 . 1 . . . A 145 GLN HG2 . 18967 1 860 . 1 1 70 70 GLN HG3 H 1 2.121 0.020 . 1 . . . A 145 GLN HG3 . 18967 1 861 . 1 1 70 70 GLN HE21 H 1 7.356 0.020 . 1 . . . A 145 GLN HE21 . 18967 1 862 . 1 1 70 70 GLN HE22 H 1 6.693 0.020 . 1 . . . A 145 GLN HE22 . 18967 1 863 . 1 1 70 70 GLN C C 13 176.146 0.300 . 1 . . . A 145 GLN C . 18967 1 864 . 1 1 70 70 GLN CA C 13 56.057 0.300 . 1 . . . A 145 GLN CA . 18967 1 865 . 1 1 70 70 GLN CB C 13 29.170 0.300 . 1 . . . A 145 GLN CB . 18967 1 866 . 1 1 70 70 GLN CG C 13 33.698 0.300 . 1 . . . A 145 GLN CG . 18967 1 867 . 1 1 70 70 GLN N N 15 121.054 0.250 . 1 . . . A 145 GLN N . 18967 1 868 . 1 1 70 70 GLN NE2 N 15 112.672 0.250 . 1 . . . A 145 GLN NE2 . 18967 1 869 . 1 1 71 71 ARG H H 1 8.197 0.020 . 1 . . . A 146 ARG H . 18967 1 870 . 1 1 71 71 ARG HA H 1 3.976 0.020 . 1 . . . A 146 ARG HA . 18967 1 871 . 1 1 71 71 ARG HB2 H 1 1.548 0.020 . 1 . . . A 146 ARG HB2 . 18967 1 872 . 1 1 71 71 ARG HB3 H 1 1.485 0.020 . 1 . . . A 146 ARG HB3 . 18967 1 873 . 1 1 71 71 ARG HG2 H 1 1.401 0.020 . 1 . . . A 146 ARG HG2 . 18967 1 874 . 1 1 71 71 ARG HG3 H 1 1.352 0.020 . 1 . . . A 146 ARG HG3 . 18967 1 875 . 1 1 71 71 ARG HD2 H 1 2.958 0.020 . 1 . . . A 146 ARG HD2 . 18967 1 876 . 1 1 71 71 ARG HD3 H 1 2.755 0.020 . 1 . . . A 146 ARG HD3 . 18967 1 877 . 1 1 71 71 ARG C C 13 176.046 0.300 . 1 . . . A 146 ARG C . 18967 1 878 . 1 1 71 71 ARG CA C 13 56.312 0.300 . 1 . . . A 146 ARG CA . 18967 1 879 . 1 1 71 71 ARG CB C 13 30.511 0.300 . 1 . . . A 146 ARG CB . 18967 1 880 . 1 1 71 71 ARG CG C 13 26.923 0.300 . 1 . . . A 146 ARG CG . 18967 1 881 . 1 1 71 71 ARG CD C 13 43.084 0.300 . 1 . . . A 146 ARG CD . 18967 1 882 . 1 1 71 71 ARG N N 15 121.748 0.250 . 1 . . . A 146 ARG N . 18967 1 883 . 1 1 72 72 ASN H H 1 8.313 0.020 . 1 . . . A 147 ASN H . 18967 1 884 . 1 1 72 72 ASN HA H 1 4.451 0.020 . 1 . . . A 147 ASN HA . 18967 1 885 . 1 1 72 72 ASN HB2 H 1 2.627 0.020 . 1 . . . A 147 ASN HB2 . 18967 1 886 . 1 1 72 72 ASN HB3 H 1 2.545 0.020 . 1 . . . A 147 ASN HB3 . 18967 1 887 . 1 1 72 72 ASN HD21 H 1 7.444 0.020 . 1 . . . A 147 ASN HD21 . 18967 1 888 . 1 1 72 72 ASN HD22 H 1 6.741 0.020 . 1 . . . A 147 ASN HD22 . 18967 1 889 . 1 1 72 72 ASN C C 13 175.207 0.300 . 1 . . . A 147 ASN C . 18967 1 890 . 1 1 72 72 ASN CA C 13 53.247 0.300 . 1 . . . A 147 ASN CA . 18967 1 891 . 1 1 72 72 ASN CB C 13 38.558 0.300 . 1 . . . A 147 ASN CB . 18967 1 892 . 1 1 72 72 ASN N N 15 119.204 0.250 . 1 . . . A 147 ASN N . 18967 1 893 . 1 1 72 72 ASN ND2 N 15 112.922 0.250 . 1 . . . A 147 ASN ND2 . 18967 1 894 . 1 1 73 73 GLU H H 1 8.252 0.020 . 1 . . . A 148 GLU H . 18967 1 895 . 1 1 73 73 GLU HA H 1 4.087 0.020 . 1 . . . A 148 GLU HA . 18967 1 896 . 1 1 73 73 GLU HB2 H 1 1.877 0.020 . 1 . . . A 148 GLU HB2 . 18967 1 897 . 1 1 73 73 GLU HB3 H 1 1.741 0.020 . 1 . . . A 148 GLU HB3 . 18967 1 898 . 1 1 73 73 GLU HG2 H 1 2.071 0.020 . 1 . . . A 148 GLU HG2 . 18967 1 899 . 1 1 73 73 GLU HG3 H 1 2.036 0.020 . 1 . . . A 148 GLU HG3 . 18967 1 900 . 1 1 73 73 GLU C C 13 176.534 0.300 . 1 . . . A 148 GLU C . 18967 1 901 . 1 1 73 73 GLU CA C 13 56.759 0.300 . 1 . . . A 148 GLU CA . 18967 1 902 . 1 1 73 73 GLU CB C 13 30.128 0.300 . 1 . . . A 148 GLU CB . 18967 1 903 . 1 1 73 73 GLU CG C 13 36.184 0.300 . 1 . . . A 148 GLU CG . 18967 1 904 . 1 1 73 73 GLU N N 15 120.919 0.250 . 1 . . . A 148 GLU N . 18967 1 905 . 1 1 74 74 THR H H 1 8.033 0.020 . 1 . . . A 149 THR H . 18967 1 906 . 1 1 74 74 THR HA H 1 4.052 0.020 . 1 . . . A 149 THR HA . 18967 1 907 . 1 1 74 74 THR HB H 1 3.973 0.020 . 1 . . . A 149 THR HB . 18967 1 908 . 1 1 74 74 THR HG21 H 1 0.980 0.020 . 1 . . . A 149 THR HG21 . 18967 1 909 . 1 1 74 74 THR HG22 H 1 0.980 0.020 . 1 . . . A 149 THR HG22 . 18967 1 910 . 1 1 74 74 THR HG23 H 1 0.980 0.020 . 1 . . . A 149 THR HG23 . 18967 1 911 . 1 1 74 74 THR C C 13 174.203 0.300 . 1 . . . A 149 THR C . 18967 1 912 . 1 1 74 74 THR CA C 13 62.066 0.300 . 1 . . . A 149 THR CA . 18967 1 913 . 1 1 74 74 THR CB C 13 69.651 0.300 . 1 . . . A 149 THR CB . 18967 1 914 . 1 1 74 74 THR CG2 C 13 21.484 0.300 . 1 . . . A 149 THR CG2 . 18967 1 915 . 1 1 74 74 THR N N 15 114.946 0.250 . 1 . . . A 149 THR N . 18967 1 916 . 1 1 75 75 GLN H H 1 8.231 0.020 . 1 . . . A 150 GLN H . 18967 1 917 . 1 1 75 75 GLN HA H 1 4.151 0.020 . 1 . . . A 150 GLN HA . 18967 1 918 . 1 1 75 75 GLN HB2 H 1 2.272 0.020 . 1 . . . A 150 GLN HB2 . 18967 1 919 . 1 1 75 75 GLN HB3 H 1 1.769 0.020 . 1 . . . A 150 GLN HB3 . 18967 1 920 . 1 1 75 75 GLN HG2 H 1 2.110 0.020 . 1 . . . A 150 GLN HG2 . 18967 1 921 . 1 1 75 75 GLN HG3 H 1 1.896 0.020 . 1 . . . A 150 GLN HG3 . 18967 1 922 . 1 1 75 75 GLN HE21 H 1 7.438 0.020 . 1 . . . A 150 GLN HE21 . 18967 1 923 . 1 1 75 75 GLN HE22 H 1 6.673 0.020 . 1 . . . A 150 GLN HE22 . 18967 1 924 . 1 1 75 75 GLN C C 13 174.893 0.300 . 1 . . . A 150 GLN C . 18967 1 925 . 1 1 75 75 GLN CA C 13 55.801 0.300 . 1 . . . A 150 GLN CA . 18967 1 926 . 1 1 75 75 GLN CB C 13 29.362 0.300 . 1 . . . A 150 GLN CB . 18967 1 927 . 1 1 75 75 GLN CG C 13 33.558 0.300 . 1 . . . A 150 GLN CG . 18967 1 928 . 1 1 75 75 GLN N N 15 123.810 0.250 . 1 . . . A 150 GLN N . 18967 1 929 . 1 1 75 75 GLN NE2 N 15 113.115 0.250 . 1 . . . A 150 GLN NE2 . 18967 1 930 . 1 1 76 76 VAL H H 1 7.671 0.020 . 1 . . . A 151 VAL H . 18967 1 931 . 1 1 76 76 VAL HA H 1 3.767 0.020 . 1 . . . A 151 VAL HA . 18967 1 932 . 1 1 76 76 VAL HB H 1 1.844 0.020 . 1 . . . A 151 VAL HB . 18967 1 933 . 1 1 76 76 VAL HG11 H 1 0.653 0.020 . 1 . . . A 151 VAL HG11 . 18967 1 934 . 1 1 76 76 VAL HG12 H 1 0.653 0.020 . 1 . . . A 151 VAL HG12 . 18967 1 935 . 1 1 76 76 VAL HG13 H 1 0.653 0.020 . 1 . . . A 151 VAL HG13 . 18967 1 936 . 1 1 76 76 VAL HG21 H 1 0.653 0.020 . 1 . . . A 151 VAL HG21 . 18967 1 937 . 1 1 76 76 VAL HG22 H 1 0.653 0.020 . 1 . . . A 151 VAL HG22 . 18967 1 938 . 1 1 76 76 VAL HG23 H 1 0.653 0.020 . 1 . . . A 151 VAL HG23 . 18967 1 939 . 1 1 76 76 VAL C C 13 181.026 0.300 . 1 . . . A 151 VAL C . 18967 1 940 . 1 1 76 76 VAL CA C 13 63.592 0.300 . 1 . . . A 151 VAL CA . 18967 1 941 . 1 1 76 76 VAL CB C 13 32.747 0.300 . 1 . . . A 151 VAL CB . 18967 1 942 . 1 1 76 76 VAL CG1 C 13 21.402 0.300 . 1 . . . A 151 VAL CG1 . 18967 1 943 . 1 1 76 76 VAL CG2 C 13 19.780 0.300 . 1 . . . A 151 VAL CG2 . 18967 1 944 . 1 1 76 76 VAL N N 15 125.891 0.250 . 1 . . . A 151 VAL N . 18967 1 stop_ save_