data_17968 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17968 _Entry.Title ; Haddock model structure of the N-terminal domain dimer of HPV16 E6 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2011-09-30 _Entry.Accession_date 2011-09-30 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details 'NMR data driven model structure of the N-terminal domain dimer of HPV16 E6 calculated using Haddock' _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 Katia Zanier . . . 17968 2 Abdellahi 'ould M'hamed ould Sidi' . . . 17968 3 Charlotte Boulade-Ladame . . . 17968 4 Vladimir Rybin . . . 17968 5 Anne Chappelle . . . 17968 6 Andrew Atkinson . . . 17968 7 Bruno Kieffer . . . 17968 8 Gilles Trave . . . 17968 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' . 17968 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID E6 . 17968 E6N . 17968 'E6N dimer' . 17968 HPV . 17968 HPV16 . 17968 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17968 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 259 17968 '15N chemical shifts' 83 17968 '1H chemical shifts' 549 17968 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2012-08-27 2011-09-30 update BMRB 'update entry citation' 17968 1 . . 2012-04-04 2011-09-30 original author 'original release' 17968 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 17967 'Structure of the monomeric N-terminal domain of HPV16 E6 oncoprotein' 17968 PDB 2ljx 'Structure of the monomeric N-terminal domain of HPV16 E6 oncoprotein' 17968 PDB 2LJY 'BMRB Entry Tracking System' 17968 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 17968 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 22483108 _Citation.Full_citation . _Citation.Title 'Solution structure analysis of the HPV16 E6 oncoprotein reveals a self-association mechanism required for E6-mediated degradation of p53.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Structure _Citation.Journal_name_full 'Structure (London, England : 1993)' _Citation.Journal_volume 20 _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 604 _Citation.Page_last 617 _Citation.Year 2012 _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 Katia Zanier . . . 17968 1 2 Abdellahi Boulade-Ladame . . . 17968 1 3 Charlotte Rybin . . . 17968 1 4 Vladimir Chappelle . . . 17968 1 5 Anne Atkinson . . . 17968 1 6 Andrew Kieffer . . . 17968 1 7 Bruno Trave . . . 17968 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17968 _Assembly.ID 1 _Assembly.Name HPV16_E6 _Assembly.BMRB_code . _Assembly.Number_of_components 4 _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 HPV_16_E6_1 1 $HPV16_E6 A . yes native no no . . . 17968 1 2 HPV_16_E6_2 1 $HPV16_E6 B . yes native no no . . . 17968 1 3 'ZINC ION_1' 2 $ZN C . no native no no . . . 17968 1 4 'ZINC ION_2' 2 $ZN D . no native no no . . . 17968 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_HPV16_E6 _Entity.Sf_category entity _Entity.Sf_framecode HPV16_E6 _Entity.Entry_ID 17968 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name HPV16_E6 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A,B _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GAMFQDPQERPRKLPQLCTE LQTTIHDIILECVYCKQQLL RREVYDFAFRDLCIVYRDGN PYAVCDKCLKFYSKISEYRH YS ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'The natural E6 sequence starts at M1. Residues G-1 and A0 are introduced by colning. Residues G-1 to A0 and S71 to S80 are not displayed in the coordinate file because unstructured.' _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 82 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state . _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment E6N _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 8505.967 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 17967 . E6 . . . . . 100.00 84 98.78 98.78 5.00e-51 . . . . 17968 1 2 no PDB 2LJX . "Structure Of The Monomeric N-Terminal Domain Of Hpv16 E6 Oncoprotein" . . . . . 100.00 84 98.78 98.78 5.00e-51 . . . . 17968 1 3 no PDB 2LJY . "Haddock Model Structure Of The N-Terminal Domain Dimer Of Hpv16 E6" . . . . . 100.00 84 100.00 100.00 1.92e-52 . . . . 17968 1 4 no PDB 4GIZ . "Crystal Structure Of Full-length Human Papillomavirus Oncoprotein E6 In Complex With Lxxll Peptide Of Ubiquitin Ligase E6ap At " . . . . . 96.34 142 98.73 98.73 6.55e-48 . . . . 17968 1 5 no DBJ BAN15903 . "early protein E6 [Human papillomavirus type 16]" . . . . . 97.56 158 100.00 100.00 8.24e-50 . . . . 17968 1 6 no DBJ BAN15904 . "early protein E6 [Human papillomavirus type 16]" . . . . . 97.56 158 98.75 100.00 3.53e-49 . . . . 17968 1 7 no DBJ BAN15905 . "early protein E6 [Human papillomavirus type 16]" . . . . . 97.56 158 100.00 100.00 8.24e-50 . . . . 17968 1 8 no DBJ BAN15906 . "early protein E6 [Human papillomavirus type 16]" . . . . . 97.56 158 100.00 100.00 8.24e-50 . . . . 17968 1 9 no DBJ BAN15907 . "early protein E6 [Human papillomavirus type 16]" . . . . . 97.56 158 100.00 100.00 8.24e-50 . . . . 17968 1 10 no EMBL CAB45104 . "E6 protein [Human papillomavirus type 16]" . . . . . 96.34 151 100.00 100.00 6.46e-49 . . . . 17968 1 11 no EMBL CAB45106 . "E6 protein [Human papillomavirus type 16]" . . . . . 96.34 151 100.00 100.00 6.19e-49 . . . . 17968 1 12 no EMBL CAB45108 . "E6 protein [Human papillomavirus type 16]" . . . . . 96.34 151 98.73 100.00 3.09e-48 . . . . 17968 1 13 no EMBL CAB45110 . "E6 protein [Human papillomavirus type 16]" . . . . . 96.34 151 98.73 100.00 3.09e-48 . . . . 17968 1 14 no EMBL CAB45112 . "E6 protein [Human papillomavirus type 16]" . . . . . 96.34 151 100.00 100.00 5.26e-49 . . . . 17968 1 15 no GB AAA46939 . "transforming protein [Human papillomavirus type 16]" . . . . . 97.56 158 100.00 100.00 8.24e-50 . . . . 17968 1 16 no GB AAA91654 . "early transforming protein E6 [Human papillomavirus]" . . . . . 96.34 151 97.47 98.73 3.63e-47 . . . . 17968 1 17 no GB AAA91655 . "early transforming protein E6 [Human papillomavirus]" . . . . . 96.34 151 97.47 98.73 3.63e-47 . . . . 17968 1 18 no GB AAA91656 . "early transforming protein E6 [Human papillomavirus]" . . . . . 96.34 151 98.73 98.73 6.25e-48 . . . . 17968 1 19 no GB AAA91657 . "early transforming protein E6 [Human papillomavirus]" . . . . . 96.34 151 98.73 98.73 6.25e-48 . . . . 17968 1 20 no REF NP_041325 . "transforming protein [Human papillomavirus type 16]" . . . . . 97.56 158 100.00 100.00 8.24e-50 . . . . 17968 1 21 no SP P03126 . "RecName: Full=Protein E6" . . . . . 97.56 158 100.00 100.00 8.24e-50 . . . . 17968 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 -2 GLY . 17968 1 2 -1 ALA . 17968 1 3 1 MET . 17968 1 4 2 PHE . 17968 1 5 3 GLN . 17968 1 6 4 ASP . 17968 1 7 5 PRO . 17968 1 8 6 GLN . 17968 1 9 7 GLU . 17968 1 10 8 ARG . 17968 1 11 9 PRO . 17968 1 12 10 ARG . 17968 1 13 11 LYS . 17968 1 14 12 LEU . 17968 1 15 13 PRO . 17968 1 16 14 GLN . 17968 1 17 15 LEU . 17968 1 18 16 CYS . 17968 1 19 17 THR . 17968 1 20 18 GLU . 17968 1 21 19 LEU . 17968 1 22 20 GLN . 17968 1 23 21 THR . 17968 1 24 22 THR . 17968 1 25 23 ILE . 17968 1 26 24 HIS . 17968 1 27 25 ASP . 17968 1 28 26 ILE . 17968 1 29 27 ILE . 17968 1 30 28 LEU . 17968 1 31 29 GLU . 17968 1 32 30 CYS . 17968 1 33 31 VAL . 17968 1 34 32 TYR . 17968 1 35 33 CYS . 17968 1 36 34 LYS . 17968 1 37 35 GLN . 17968 1 38 36 GLN . 17968 1 39 37 LEU . 17968 1 40 38 LEU . 17968 1 41 39 ARG . 17968 1 42 40 ARG . 17968 1 43 41 GLU . 17968 1 44 42 VAL . 17968 1 45 43 TYR . 17968 1 46 44 ASP . 17968 1 47 45 PHE . 17968 1 48 46 ALA . 17968 1 49 47 PHE . 17968 1 50 48 ARG . 17968 1 51 49 ASP . 17968 1 52 50 LEU . 17968 1 53 51 CYS . 17968 1 54 52 ILE . 17968 1 55 53 VAL . 17968 1 56 54 TYR . 17968 1 57 55 ARG . 17968 1 58 56 ASP . 17968 1 59 57 GLY . 17968 1 60 58 ASN . 17968 1 61 59 PRO . 17968 1 62 60 TYR . 17968 1 63 61 ALA . 17968 1 64 62 VAL . 17968 1 65 63 CYS . 17968 1 66 64 ASP . 17968 1 67 65 LYS . 17968 1 68 66 CYS . 17968 1 69 67 LEU . 17968 1 70 68 LYS . 17968 1 71 69 PHE . 17968 1 72 70 TYR . 17968 1 73 71 SER . 17968 1 74 72 LYS . 17968 1 75 73 ILE . 17968 1 76 74 SER . 17968 1 77 75 GLU . 17968 1 78 76 TYR . 17968 1 79 77 ARG . 17968 1 80 78 HIS . 17968 1 81 79 TYR . 17968 1 82 80 SER . 17968 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 17968 1 . ALA 2 2 17968 1 . MET 3 3 17968 1 . PHE 4 4 17968 1 . GLN 5 5 17968 1 . ASP 6 6 17968 1 . PRO 7 7 17968 1 . GLN 8 8 17968 1 . GLU 9 9 17968 1 . ARG 10 10 17968 1 . PRO 11 11 17968 1 . ARG 12 12 17968 1 . LYS 13 13 17968 1 . LEU 14 14 17968 1 . PRO 15 15 17968 1 . GLN 16 16 17968 1 . LEU 17 17 17968 1 . CYS 18 18 17968 1 . THR 19 19 17968 1 . GLU 20 20 17968 1 . LEU 21 21 17968 1 . GLN 22 22 17968 1 . THR 23 23 17968 1 . THR 24 24 17968 1 . ILE 25 25 17968 1 . HIS 26 26 17968 1 . ASP 27 27 17968 1 . ILE 28 28 17968 1 . ILE 29 29 17968 1 . LEU 30 30 17968 1 . GLU 31 31 17968 1 . CYS 32 32 17968 1 . VAL 33 33 17968 1 . TYR 34 34 17968 1 . CYS 35 35 17968 1 . LYS 36 36 17968 1 . GLN 37 37 17968 1 . GLN 38 38 17968 1 . LEU 39 39 17968 1 . LEU 40 40 17968 1 . ARG 41 41 17968 1 . ARG 42 42 17968 1 . GLU 43 43 17968 1 . VAL 44 44 17968 1 . TYR 45 45 17968 1 . ASP 46 46 17968 1 . PHE 47 47 17968 1 . ALA 48 48 17968 1 . PHE 49 49 17968 1 . ARG 50 50 17968 1 . ASP 51 51 17968 1 . LEU 52 52 17968 1 . CYS 53 53 17968 1 . ILE 54 54 17968 1 . VAL 55 55 17968 1 . TYR 56 56 17968 1 . ARG 57 57 17968 1 . ASP 58 58 17968 1 . GLY 59 59 17968 1 . ASN 60 60 17968 1 . PRO 61 61 17968 1 . TYR 62 62 17968 1 . ALA 63 63 17968 1 . VAL 64 64 17968 1 . CYS 65 65 17968 1 . ASP 66 66 17968 1 . LYS 67 67 17968 1 . CYS 68 68 17968 1 . LEU 69 69 17968 1 . LYS 70 70 17968 1 . PHE 71 71 17968 1 . TYR 72 72 17968 1 . SER 73 73 17968 1 . LYS 74 74 17968 1 . ILE 75 75 17968 1 . SER 76 76 17968 1 . GLU 77 77 17968 1 . TYR 78 78 17968 1 . ARG 79 79 17968 1 . HIS 80 80 17968 1 . TYR 81 81 17968 1 . SER 82 82 17968 1 stop_ save_ save_ZN _Entity.Sf_category entity _Entity.Sf_framecode ZN _Entity.Entry_ID 17968 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name ZN _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 no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer . _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID ZN _Entity.Nonpolymer_comp_label $chem_comp_ZN _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components . _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 . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 . ZN . 17968 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 17968 _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 $HPV16_E6 . 333760 virus . 'Human papillomavirus type 16' 'Human papillomavirus type 16' . . Viruses . Alphapapillomavirus 'Human papillomavirus 16' . . . . . . . . . . . . . . . . E6 . . . . 17968 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 17968 _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 $HPV16_E6 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21 . . . . . . . . . . . . . . . petM41 . . . . . . 17968 1 2 2 $ZN . 'purified from the natural source' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 17968 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 17968 _Chem_comp.ID ZN _Chem_comp.Provenance . _Chem_comp.Name 'ZINC ION' _Chem_comp.Type non-polymer _Chem_comp.BMRB_code . _Chem_comp.PDB_code ZN _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 1999-07-08 _Chem_comp.Modified_date 2011-06-04 _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 . _Chem_comp.Number_atoms_nh . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _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 . _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 ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Oct 14 14:35:48 2011 ; _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 17968 ZN PTFCDOFLOPIGGS-UHFFFAOYSA-N InChIKey InChI 1.03 17968 ZN [Zn++] SMILES CACTVS 3.341 17968 ZN [Zn++] SMILES_CANONICAL CACTVS 3.341 17968 ZN [Zn+2] SMILES ACDLabs 10.04 17968 ZN [Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 17968 ZN [Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 17968 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 17968 ZN 'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 17968 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 . . N 2 . . . . no no . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 17968 ZN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_E6_unl _Sample.Sf_category sample _Sample.Sf_framecode E6_unl _Sample.Entry_ID 17968 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'unlabelled sample' _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 HPV16_E6 'natural abundance' . . 1 $HPV16_E6 . . 0.3 . . mM . . . . 17968 1 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17968 1 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17968 1 4 NaCl 'natural abundance' . . . . . . 50 . . mM . . . . 17968 1 stop_ save_ save_E6_N _Sample.Sf_category sample _Sample.Sf_framecode E6_N _Sample.Entry_ID 17968 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details '15N labelled sample' _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% 15N]' . . 1 $HPV16_E6 . . 0.3 . . mM . . . . 17968 2 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17968 2 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17968 2 4 NaCl 'natural abundance' . . . . . . 50 . . mM . . . . 17968 2 stop_ save_ save_E6_CN _Sample.Sf_category sample _Sample.Sf_framecode E6_CN _Sample.Entry_ID 17968 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details '15N, 13C labelled sample' _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 $HPV16_E6 . . 0.3 . . mM . . . . 17968 3 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17968 3 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17968 3 4 NaCl 'natural abundance' . . . . . . 50 . . mM . . . . 17968 3 stop_ save_ ####################### # Sample conditions # ####################### save_E6 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode E6 _Sample_condition_list.Entry_ID 17968 _Sample_condition_list.ID 1 _Sample_condition_list.Details 'sample buffer: 20 mM sodium phosphate (pH 6.8), 50 mM NaCl, 2 mM DTT.' loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 50 . mM 17968 1 pH 6.8 . pH 17968 1 pressure 1 . atm 17968 1 temperature 296 . K 17968 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 17968 _Software.ID 1 _Software.Name TOPSPIN _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 17968 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 17968 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 17968 _Software.ID 2 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 17968 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 17968 2 stop_ save_ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 17968 _Software.ID 3 _Software.Name CARA _Software.Version 1.8.3 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 17968 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 17968 3 stop_ save_ save_HADDOCK_webserver _Software.Sf_category software _Software.Sf_framecode HADDOCK_webserver _Software.Entry_ID 17968 _Software.ID 4 _Software.Name HADDOCK_webserver _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Utrecht Biomolecular Interaction web portal' . . 17968 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure calculation' 17968 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 17968 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 17968 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 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 17968 _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 DRX . 600 . . . 17968 1 2 spectrometer_2 Bruker Avance . 700 . . . 17968 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 17968 _Experiment_list.ID 1 _Experiment_list.Details 'The dimer structures were calculated using Ambigous Interaction restrains, unambigous inter-molecular NOE-derived distance restraints and dihedral angles' 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 . . . . . . . . . . 2 $E6_N isotropic . . 1 $E6 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17968 1 2 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 3 $E6_CN isotropic . . 1 $E6 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17968 1 3 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 3 $E6_CN isotropic . . 1 $E6 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17968 1 4 '3D HNCA' no . . . . . . . . . . 3 $E6_CN isotropic . . 1 $E6 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17968 1 5 '3D HNCACB' no . . . . . . . . . . 3 $E6_CN isotropic . . 1 $E6 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17968 1 6 '3D HN(CO)CA' no . . . . . . . . . . 3 $E6_CN isotropic . . 1 $E6 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17968 1 7 '3D HCCH-TOCSY' no . . . . . . . . . . 3 $E6_CN isotropic . . 1 $E6 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17968 1 8 '3D HCCH-COSY' no . . . . . . . . . . 3 $E6_CN isotropic . . 1 $E6 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17968 1 9 '3D 1H-15N NOESY' no . . . . . . . . . . 2 $E6_N isotropic . . 1 $E6 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17968 1 10 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 3 $E6_CN isotropic . . 1 $E6 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17968 1 11 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $E6_unl isotropic . . 1 $E6 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17968 1 12 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $E6_unl isotropic . . 1 $E6 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17968 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_E6Ndimer_shifts _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode E6Ndimer_shifts _Chem_shift_reference.Entry_ID 17968 _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 . . . . . . . . . 17968 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 'separate tube (no insert) not similar to the experimental sample tube' . . . . . . . . 17968 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 17968 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_E6Ndimer _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode E6Ndimer _Assigned_chem_shift_list.Entry_ID 17968 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $E6 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $E6Ndimer_shifts _Assigned_chem_shift_list.Chem_shift_1H_err 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err 0.3 _Assigned_chem_shift_list.Chem_shift_15N_err 0.3 _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _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' . . . 17968 1 2 '2D 1H-13C HSQC aliphatic' . . . 17968 1 3 '2D 1H-13C HSQC aromatic' . . . 17968 1 4 '3D HNCA' . . . 17968 1 5 '3D HNCACB' . . . 17968 1 6 '3D HN(CO)CA' . . . 17968 1 7 '3D HCCH-TOCSY' . . . 17968 1 8 '3D HCCH-COSY' . . . 17968 1 11 '2D 1H-1H NOESY' . . . 17968 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 MET H H 1 8.35 0.02 . 1 . . . A 1 MET H . 17968 1 2 . 1 1 3 3 MET HA H 1 4.29 0.02 . 1 . . . A 1 MET HA . 17968 1 3 . 1 1 3 3 MET HB2 H 1 1.84 0.02 . 2 . . . A 1 MET HB2 . 17968 1 4 . 1 1 3 3 MET HB3 H 1 1.79 0.02 . 2 . . . A 1 MET HB3 . 17968 1 5 . 1 1 3 3 MET HG2 H 1 2.38 0.02 . 2 . . . A 1 MET HG2 . 17968 1 6 . 1 1 3 3 MET HG3 H 1 2.27 0.02 . 2 . . . A 1 MET HG3 . 17968 1 7 . 1 1 3 3 MET HE1 H 1 2.00 0.02 . 1 . . . A 1 MET HE1 . 17968 1 8 . 1 1 3 3 MET HE2 H 1 2.00 0.02 . 1 . . . A 1 MET HE2 . 17968 1 9 . 1 1 3 3 MET HE3 H 1 2.00 0.02 . 1 . . . A 1 MET HE3 . 17968 1 10 . 1 1 3 3 MET CA C 13 56.13 0.30 . 1 . . . A 1 MET CA . 17968 1 11 . 1 1 3 3 MET CB C 13 33.43 0.30 . 1 . . . A 1 MET CB . 17968 1 12 . 1 1 3 3 MET CG C 13 32.03 0.30 . 1 . . . A 1 MET CG . 17968 1 13 . 1 1 3 3 MET CE C 13 17.03 0.30 . 1 . . . A 1 MET CE . 17968 1 14 . 1 1 3 3 MET N N 15 122.01 0.30 . 1 . . . A 1 MET N . 17968 1 15 . 1 1 4 4 PHE H H 1 8.37 0.02 . 1 . . . A 2 PHE H . 17968 1 16 . 1 1 4 4 PHE HA H 1 4.62 0.02 . 1 . . . A 2 PHE HA . 17968 1 17 . 1 1 4 4 PHE HB2 H 1 3.03 0.02 . 2 . . . A 2 PHE HB2 . 17968 1 18 . 1 1 4 4 PHE HB3 H 1 2.95 0.02 . 2 . . . A 2 PHE HB3 . 17968 1 19 . 1 1 4 4 PHE HD1 H 1 7.24 0.02 . 1 . . . A 2 PHE HD1 . 17968 1 20 . 1 1 4 4 PHE HE1 H 1 7.30 0.02 . 1 . . . A 2 PHE HE1 . 17968 1 21 . 1 1 4 4 PHE HZ H 1 7.18 0.02 . 1 . . . A 2 PHE HZ . 17968 1 22 . 1 1 4 4 PHE CA C 13 57.33 0.30 . 1 . . . A 2 PHE CA . 17968 1 23 . 1 1 4 4 PHE CB C 13 39.43 0.30 . 1 . . . A 2 PHE CB . 17968 1 24 . 1 1 4 4 PHE N N 15 122.31 0.30 . 1 . . . A 2 PHE N . 17968 1 25 . 1 1 5 5 GLN H H 1 8.25 0.02 . 1 . . . A 3 GLN H . 17968 1 26 . 1 1 5 5 GLN HA H 1 4.19 0.02 . 1 . . . A 3 GLN HA . 17968 1 27 . 1 1 5 5 GLN HB2 H 1 1.98 0.02 . 2 . . . A 3 GLN HB2 . 17968 1 28 . 1 1 5 5 GLN HB3 H 1 1.86 0.02 . 2 . . . A 3 GLN HB3 . 17968 1 29 . 1 1 5 5 GLN HG2 H 1 2.23 0.02 . 1 . . . A 3 GLN HG2 . 17968 1 30 . 1 1 5 5 GLN HE21 H 1 7.49 0.02 . 1 . . . A 3 GLN HE21 . 17968 1 31 . 1 1 5 5 GLN HE22 H 1 6.80 0.02 . 1 . . . A 3 GLN HE22 . 17968 1 32 . 1 1 5 5 GLN CA C 13 56.03 0.30 . 1 . . . A 3 GLN CA . 17968 1 33 . 1 1 5 5 GLN CB C 13 29.93 0.30 . 1 . . . A 3 GLN CB . 17968 1 34 . 1 1 5 5 GLN CG C 13 33.93 0.30 . 1 . . . A 3 GLN CG . 17968 1 35 . 1 1 5 5 GLN N N 15 123.51 0.30 . 1 . . . A 3 GLN N . 17968 1 36 . 1 1 5 5 GLN NE2 N 15 114.51 0.30 . 1 . . . A 3 GLN NE2 . 17968 1 37 . 1 1 6 6 ASP H H 1 8.41 0.02 . 1 . . . A 4 ASP H . 17968 1 38 . 1 1 6 6 ASP HA H 1 4.84 0.02 . 1 . . . A 4 ASP HA . 17968 1 39 . 1 1 6 6 ASP HB2 H 1 2.75 0.02 . 2 . . . A 4 ASP HB2 . 17968 1 40 . 1 1 6 6 ASP HB3 H 1 2.48 0.02 . 2 . . . A 4 ASP HB3 . 17968 1 41 . 1 1 6 6 ASP CA C 13 52.03 0.30 . 1 . . . A 4 ASP CA . 17968 1 42 . 1 1 6 6 ASP CB C 13 41.73 0.30 . 1 . . . A 4 ASP CB . 17968 1 43 . 1 1 6 6 ASP N N 15 125.01 0.30 . 1 . . . A 4 ASP N . 17968 1 44 . 1 1 7 7 PRO HA H 1 4.12 0.02 . 1 . . . A 5 PRO HA . 17968 1 45 . 1 1 7 7 PRO HB2 H 1 2.21 0.02 . 2 . . . A 5 PRO HB2 . 17968 1 46 . 1 1 7 7 PRO HB3 H 1 1.88 0.02 . 2 . . . A 5 PRO HB3 . 17968 1 47 . 1 1 7 7 PRO HG2 H 1 2.00 0.02 . 2 . . . A 5 PRO HG2 . 17968 1 48 . 1 1 7 7 PRO HG3 H 1 1.96 0.02 . 2 . . . A 5 PRO HG3 . 17968 1 49 . 1 1 7 7 PRO HD2 H 1 3.92 0.02 . 2 . . . A 5 PRO HD2 . 17968 1 50 . 1 1 7 7 PRO HD3 H 1 3.79 0.02 . 2 . . . A 5 PRO HD3 . 17968 1 51 . 1 1 7 7 PRO CA C 13 64.13 0.30 . 1 . . . A 5 PRO CA . 17968 1 52 . 1 1 7 7 PRO CB C 13 32.33 0.30 . 1 . . . A 5 PRO CB . 17968 1 53 . 1 1 7 7 PRO CG C 13 27.43 0.30 . 1 . . . A 5 PRO CG . 17968 1 54 . 1 1 7 7 PRO CD C 13 51.13 0.30 . 1 . . . A 5 PRO CD . 17968 1 55 . 1 1 8 8 GLN H H 1 8.43 0.02 . 1 . . . A 6 GLN H . 17968 1 56 . 1 1 8 8 GLN HA H 1 4.15 0.02 . 1 . . . A 6 GLN HA . 17968 1 57 . 1 1 8 8 GLN HB2 H 1 2.05 0.02 . 2 . . . A 6 GLN HB2 . 17968 1 58 . 1 1 8 8 GLN HB3 H 1 1.99 0.02 . 2 . . . A 6 GLN HB3 . 17968 1 59 . 1 1 8 8 GLN HG2 H 1 2.31 0.02 . 1 . . . A 6 GLN HG2 . 17968 1 60 . 1 1 8 8 GLN HE21 H 1 7.61 0.02 . 1 . . . A 6 GLN HE21 . 17968 1 61 . 1 1 8 8 GLN HE22 H 1 6.82 0.02 . 1 . . . A 6 GLN HE22 . 17968 1 62 . 1 1 8 8 GLN CA C 13 56.63 0.30 . 1 . . . A 6 GLN CA . 17968 1 63 . 1 1 8 8 GLN CB C 13 29.33 0.30 . 1 . . . A 6 GLN CB . 17968 1 64 . 1 1 8 8 GLN CG C 13 34.33 0.30 . 1 . . . A 6 GLN CG . 17968 1 65 . 1 1 8 8 GLN N N 15 119.71 0.30 . 1 . . . A 6 GLN N . 17968 1 66 . 1 1 8 8 GLN NE2 N 15 114.71 0.30 . 1 . . . A 6 GLN NE2 . 17968 1 67 . 1 1 9 9 GLU H H 1 7.94 0.02 . 1 . . . A 7 GLU H . 17968 1 68 . 1 1 9 9 GLU HA H 1 4.18 0.02 . 1 . . . A 7 GLU HA . 17968 1 69 . 1 1 9 9 GLU HB2 H 1 2.02 0.02 . 2 . . . A 7 GLU HB2 . 17968 1 70 . 1 1 9 9 GLU HB3 H 1 1.77 0.02 . 2 . . . A 7 GLU HB3 . 17968 1 71 . 1 1 9 9 GLU HG2 H 1 2.17 0.02 . 2 . . . A 7 GLU HG2 . 17968 1 72 . 1 1 9 9 GLU HG3 H 1 2.11 0.02 . 2 . . . A 7 GLU HG3 . 17968 1 73 . 1 1 9 9 GLU CA C 13 56.13 0.30 . 1 . . . A 7 GLU CA . 17968 1 74 . 1 1 9 9 GLU CB C 13 30.53 0.30 . 1 . . . A 7 GLU CB . 17968 1 75 . 1 1 9 9 GLU CG C 13 36.23 0.30 . 1 . . . A 7 GLU CG . 17968 1 76 . 1 1 9 9 GLU N N 15 122.11 0.30 . 1 . . . A 7 GLU N . 17968 1 77 . 1 1 10 10 ARG H H 1 7.67 0.02 . 1 . . . A 8 ARG H . 17968 1 78 . 1 1 10 10 ARG HA H 1 4.41 0.02 . 1 . . . A 8 ARG HA . 17968 1 79 . 1 1 10 10 ARG HB2 H 1 1.48 0.02 . 2 . . . A 8 ARG HB2 . 17968 1 80 . 1 1 10 10 ARG HB3 H 1 1.20 0.02 . 2 . . . A 8 ARG HB3 . 17968 1 81 . 1 1 10 10 ARG HG2 H 1 1.25 0.02 . 1 . . . A 8 ARG HG2 . 17968 1 82 . 1 1 10 10 ARG HD2 H 1 2.40 0.02 . 2 . . . A 8 ARG HD2 . 17968 1 83 . 1 1 10 10 ARG HD3 H 1 2.29 0.02 . 2 . . . A 8 ARG HD3 . 17968 1 84 . 1 1 10 10 ARG CA C 13 54.13 0.30 . 1 . . . A 8 ARG CA . 17968 1 85 . 1 1 10 10 ARG CB C 13 29.33 0.30 . 1 . . . A 8 ARG CB . 17968 1 86 . 1 1 10 10 ARG CG C 13 26.23 0.30 . 1 . . . A 8 ARG CG . 17968 1 87 . 1 1 10 10 ARG CD C 13 43.13 0.30 . 1 . . . A 8 ARG CD . 17968 1 88 . 1 1 10 10 ARG N N 15 123.41 0.30 . 1 . . . A 8 ARG N . 17968 1 89 . 1 1 11 11 PRO HA H 1 4.34 0.02 . 1 . . . A 9 PRO HA . 17968 1 90 . 1 1 11 11 PRO HB2 H 1 2.15 0.02 . 2 . . . A 9 PRO HB2 . 17968 1 91 . 1 1 11 11 PRO HB3 H 1 1.73 0.02 . 2 . . . A 9 PRO HB3 . 17968 1 92 . 1 1 11 11 PRO HG2 H 1 1.91 0.02 . 1 . . . A 9 PRO HG2 . 17968 1 93 . 1 1 11 11 PRO HD2 H 1 3.77 0.02 . 2 . . . A 9 PRO HD2 . 17968 1 94 . 1 1 11 11 PRO HD3 H 1 3.45 0.02 . 2 . . . A 9 PRO HD3 . 17968 1 95 . 1 1 11 11 PRO CA C 13 63.53 0.30 . 1 . . . A 9 PRO CA . 17968 1 96 . 1 1 11 11 PRO CB C 13 32.63 0.30 . 1 . . . A 9 PRO CB . 17968 1 97 . 1 1 11 11 PRO CG C 13 28.13 0.30 . 1 . . . A 9 PRO CG . 17968 1 98 . 1 1 11 11 PRO CD C 13 50.63 0.30 . 1 . . . A 9 PRO CD . 17968 1 99 . 1 1 12 12 ARG H H 1 8.70 0.02 . 1 . . . A 10 ARG H . 17968 1 100 . 1 1 12 12 ARG HA H 1 4.66 0.02 . 1 . . . A 10 ARG HA . 17968 1 101 . 1 1 12 12 ARG HB2 H 1 2.06 0.02 . 2 . . . A 10 ARG HB2 . 17968 1 102 . 1 1 12 12 ARG HB3 H 1 1.87 0.02 . 2 . . . A 10 ARG HB3 . 17968 1 103 . 1 1 12 12 ARG HG2 H 1 1.86 0.02 . 2 . . . A 10 ARG HG2 . 17968 1 104 . 1 1 12 12 ARG HG3 H 1 1.76 0.02 . 2 . . . A 10 ARG HG3 . 17968 1 105 . 1 1 12 12 ARG HD2 H 1 3.25 0.02 . 1 . . . A 10 ARG HD2 . 17968 1 106 . 1 1 12 12 ARG HE H 1 7.11 0.02 . 1 . . . A 10 ARG HE . 17968 1 107 . 1 1 12 12 ARG CA C 13 56.83 0.30 . 1 . . . A 10 ARG CA . 17968 1 108 . 1 1 12 12 ARG CB C 13 32.53 0.30 . 1 . . . A 10 ARG CB . 17968 1 109 . 1 1 12 12 ARG CG C 13 28.03 0.30 . 1 . . . A 10 ARG CG . 17968 1 110 . 1 1 12 12 ARG CD C 13 43.53 0.30 . 1 . . . A 10 ARG CD . 17968 1 111 . 1 1 12 12 ARG N N 15 123.81 0.30 . 1 . . . A 10 ARG N . 17968 1 112 . 1 1 13 13 LYS H H 1 7.81 0.02 . 1 . . . A 11 LYS H . 17968 1 113 . 1 1 13 13 LYS HA H 1 5.05 0.02 . 1 . . . A 11 LYS HA . 17968 1 114 . 1 1 13 13 LYS HB2 H 1 2.09 0.02 . 2 . . . A 11 LYS HB2 . 17968 1 115 . 1 1 13 13 LYS HB3 H 1 2.03 0.02 . 2 . . . A 11 LYS HB3 . 17968 1 116 . 1 1 13 13 LYS HG2 H 1 1.56 0.02 . 2 . . . A 11 LYS HG2 . 17968 1 117 . 1 1 13 13 LYS HG3 H 1 1.34 0.02 . 2 . . . A 11 LYS HG3 . 17968 1 118 . 1 1 13 13 LYS HD2 H 1 1.77 0.02 . 1 . . . A 11 LYS HD2 . 17968 1 119 . 1 1 13 13 LYS HE2 H 1 2.91 0.02 . 2 . . . A 11 LYS HE2 . 17968 1 120 . 1 1 13 13 LYS HE3 H 1 2.80 0.02 . 2 . . . A 11 LYS HE3 . 17968 1 121 . 1 1 13 13 LYS CA C 13 53.23 0.30 . 1 . . . A 11 LYS CA . 17968 1 122 . 1 1 13 13 LYS CB C 13 35.63 0.30 . 1 . . . A 11 LYS CB . 17968 1 123 . 1 1 13 13 LYS CG C 13 25.03 0.30 . 1 . . . A 11 LYS CG . 17968 1 124 . 1 1 13 13 LYS CD C 13 28.33 0.30 . 1 . . . A 11 LYS CD . 17968 1 125 . 1 1 13 13 LYS CE C 13 43.13 0.30 . 1 . . . A 11 LYS CE . 17968 1 126 . 1 1 13 13 LYS N N 15 118.31 0.30 . 1 . . . A 11 LYS N . 17968 1 127 . 1 1 14 14 LEU H H 1 10.21 0.02 . 1 . . . A 12 LEU H . 17968 1 128 . 1 1 14 14 LEU HA H 1 4.15 0.02 . 1 . . . A 12 LEU HA . 17968 1 129 . 1 1 14 14 LEU HB2 H 1 1.86 0.02 . 2 . . . A 12 LEU HB2 . 17968 1 130 . 1 1 14 14 LEU HB3 H 1 1.78 0.02 . 2 . . . A 12 LEU HB3 . 17968 1 131 . 1 1 14 14 LEU HG H 1 1.60 0.02 . 1 . . . A 12 LEU HG . 17968 1 132 . 1 1 14 14 LEU HD11 H 1 0.93 0.02 . 1 . . . A 12 LEU HD11 . 17968 1 133 . 1 1 14 14 LEU HD12 H 1 0.93 0.02 . 1 . . . A 12 LEU HD12 . 17968 1 134 . 1 1 14 14 LEU HD13 H 1 0.93 0.02 . 1 . . . A 12 LEU HD13 . 17968 1 135 . 1 1 14 14 LEU HD21 H 1 0.84 0.02 . 1 . . . A 12 LEU HD21 . 17968 1 136 . 1 1 14 14 LEU HD22 H 1 0.84 0.02 . 1 . . . A 12 LEU HD22 . 17968 1 137 . 1 1 14 14 LEU HD23 H 1 0.84 0.02 . 1 . . . A 12 LEU HD23 . 17968 1 138 . 1 1 14 14 LEU CA C 13 59.63 0.30 . 1 . . . A 12 LEU CA . 17968 1 139 . 1 1 14 14 LEU CB C 13 40.53 0.30 . 1 . . . A 12 LEU CB . 17968 1 140 . 1 1 14 14 LEU CG C 13 28.43 0.30 . 1 . . . A 12 LEU CG . 17968 1 141 . 1 1 14 14 LEU CD1 C 13 26.63 0.30 . 1 . . . A 12 LEU CD1 . 17968 1 142 . 1 1 14 14 LEU CD2 C 13 26.63 0.30 . 1 . . . A 12 LEU CD2 . 17968 1 143 . 1 1 14 14 LEU N N 15 124.81 0.30 . 1 . . . A 12 LEU N . 17968 1 144 . 1 1 15 15 PRO HA H 1 4.17 0.02 . 1 . . . A 13 PRO HA . 17968 1 145 . 1 1 15 15 PRO HB2 H 1 2.33 0.02 . 2 . . . A 13 PRO HB2 . 17968 1 146 . 1 1 15 15 PRO HB3 H 1 1.84 0.02 . 2 . . . A 13 PRO HB3 . 17968 1 147 . 1 1 15 15 PRO HG2 H 1 2.29 0.02 . 1 . . . A 13 PRO HG2 . 17968 1 148 . 1 1 15 15 PRO HD2 H 1 3.76 0.02 . 2 . . . A 13 PRO HD2 . 17968 1 149 . 1 1 15 15 PRO HD3 H 1 3.67 0.02 . 2 . . . A 13 PRO HD3 . 17968 1 150 . 1 1 15 15 PRO CA C 13 67.33 0.30 . 1 . . . A 13 PRO CA . 17968 1 151 . 1 1 15 15 PRO CB C 13 30.53 0.30 . 1 . . . A 13 PRO CB . 17968 1 152 . 1 1 15 15 PRO CG C 13 29.23 0.30 . 1 . . . A 13 PRO CG . 17968 1 153 . 1 1 15 15 PRO CD C 13 50.63 0.30 . 1 . . . A 13 PRO CD . 17968 1 154 . 1 1 16 16 GLN H H 1 7.10 0.02 . 1 . . . A 14 GLN H . 17968 1 155 . 1 1 16 16 GLN HA H 1 4.16 0.02 . 1 . . . A 14 GLN HA . 17968 1 156 . 1 1 16 16 GLN HB2 H 1 2.32 0.02 . 2 . . . A 14 GLN HB2 . 17968 1 157 . 1 1 16 16 GLN HB3 H 1 2.06 0.02 . 2 . . . A 14 GLN HB3 . 17968 1 158 . 1 1 16 16 GLN HG2 H 1 2.54 0.02 . 2 . . . A 14 GLN HG2 . 17968 1 159 . 1 1 16 16 GLN HG3 H 1 2.48 0.02 . 2 . . . A 14 GLN HG3 . 17968 1 160 . 1 1 16 16 GLN HE21 H 1 7.82 0.02 . 1 . . . A 14 GLN HE21 . 17968 1 161 . 1 1 16 16 GLN HE22 H 1 6.94 0.02 . 1 . . . A 14 GLN HE22 . 17968 1 162 . 1 1 16 16 GLN CA C 13 59.13 0.30 . 1 . . . A 14 GLN CA . 17968 1 163 . 1 1 16 16 GLN CB C 13 28.63 0.30 . 1 . . . A 14 GLN CB . 17968 1 164 . 1 1 16 16 GLN CG C 13 34.53 0.30 . 1 . . . A 14 GLN CG . 17968 1 165 . 1 1 16 16 GLN N N 15 117.71 0.30 . 1 . . . A 14 GLN N . 17968 1 166 . 1 1 16 16 GLN NE2 N 15 115.11 0.30 . 1 . . . A 14 GLN NE2 . 17968 1 167 . 1 1 17 17 LEU H H 1 8.02 0.02 . 1 . . . A 15 LEU H . 17968 1 168 . 1 1 17 17 LEU HA H 1 4.00 0.02 . 1 . . . A 15 LEU HA . 17968 1 169 . 1 1 17 17 LEU HB2 H 1 2.05 0.02 . 2 . . . A 15 LEU HB2 . 17968 1 170 . 1 1 17 17 LEU HB3 H 1 1.26 0.02 . 2 . . . A 15 LEU HB3 . 17968 1 171 . 1 1 17 17 LEU HG H 1 0.65 0.02 . 1 . . . A 15 LEU HG . 17968 1 172 . 1 1 17 17 LEU HD11 H 1 0.90 0.02 . 1 . . . A 15 LEU HD11 . 17968 1 173 . 1 1 17 17 LEU HD12 H 1 0.90 0.02 . 1 . . . A 15 LEU HD12 . 17968 1 174 . 1 1 17 17 LEU HD13 H 1 0.90 0.02 . 1 . . . A 15 LEU HD13 . 17968 1 175 . 1 1 17 17 LEU HD21 H 1 0.89 0.02 . 1 . . . A 15 LEU HD21 . 17968 1 176 . 1 1 17 17 LEU HD22 H 1 0.89 0.02 . 1 . . . A 15 LEU HD22 . 17968 1 177 . 1 1 17 17 LEU HD23 H 1 0.89 0.02 . 1 . . . A 15 LEU HD23 . 17968 1 178 . 1 1 17 17 LEU CA C 13 58.63 0.30 . 1 . . . A 15 LEU CA . 17968 1 179 . 1 1 17 17 LEU CB C 13 42.03 0.30 . 1 . . . A 15 LEU CB . 17968 1 180 . 1 1 17 17 LEU CG C 13 26.63 0.30 . 1 . . . A 15 LEU CG . 17968 1 181 . 1 1 17 17 LEU CD1 C 13 23.33 0.30 . 1 . . . A 15 LEU CD1 . 17968 1 182 . 1 1 17 17 LEU CD2 C 13 23.33 0.30 . 1 . . . A 15 LEU CD2 . 17968 1 183 . 1 1 17 17 LEU N N 15 124.61 0.30 . 1 . . . A 15 LEU N . 17968 1 184 . 1 1 18 18 CYS H H 1 8.41 0.02 . 1 . . . A 16 CYS H . 17968 1 185 . 1 1 18 18 CYS HA H 1 3.73 0.02 . 1 . . . A 16 CYS HA . 17968 1 186 . 1 1 18 18 CYS HB2 H 1 3.11 0.02 . 2 . . . A 16 CYS HB2 . 17968 1 187 . 1 1 18 18 CYS HB3 H 1 2.67 0.02 . 2 . . . A 16 CYS HB3 . 17968 1 188 . 1 1 18 18 CYS CA C 13 64.83 0.30 . 1 . . . A 16 CYS CA . 17968 1 189 . 1 1 18 18 CYS CB C 13 26.23 0.30 . 1 . . . A 16 CYS CB . 17968 1 190 . 1 1 18 18 CYS N N 15 117.21 0.30 . 1 . . . A 16 CYS N . 17968 1 191 . 1 1 19 19 THR H H 1 7.67 0.02 . 1 . . . A 17 THR H . 17968 1 192 . 1 1 19 19 THR HA H 1 3.99 0.02 . 1 . . . A 17 THR HA . 17968 1 193 . 1 1 19 19 THR HB H 1 4.25 0.02 . 1 . . . A 17 THR HB . 17968 1 194 . 1 1 19 19 THR HG21 H 1 1.25 0.02 . 1 . . . A 17 THR HG21 . 17968 1 195 . 1 1 19 19 THR HG22 H 1 1.25 0.02 . 1 . . . A 17 THR HG22 . 17968 1 196 . 1 1 19 19 THR HG23 H 1 1.25 0.02 . 1 . . . A 17 THR HG23 . 17968 1 197 . 1 1 19 19 THR CA C 13 66.83 0.30 . 1 . . . A 17 THR CA . 17968 1 198 . 1 1 19 19 THR CB C 13 68.83 0.30 . 1 . . . A 17 THR CB . 17968 1 199 . 1 1 19 19 THR CG2 C 13 22.23 0.30 . 1 . . . A 17 THR CG2 . 17968 1 200 . 1 1 19 19 THR N N 15 117.71 0.30 . 1 . . . A 17 THR N . 17968 1 201 . 1 1 20 20 GLU H H 1 7.98 0.02 . 1 . . . A 18 GLU H . 17968 1 202 . 1 1 20 20 GLU HA H 1 4.06 0.02 . 1 . . . A 18 GLU HA . 17968 1 203 . 1 1 20 20 GLU HB2 H 1 2.23 0.02 . 2 . . . A 18 GLU HB2 . 17968 1 204 . 1 1 20 20 GLU HB3 H 1 2.14 0.02 . 2 . . . A 18 GLU HB3 . 17968 1 205 . 1 1 20 20 GLU HG2 H 1 2.37 0.02 . 2 . . . A 18 GLU HG2 . 17968 1 206 . 1 1 20 20 GLU HG3 H 1 2.29 0.02 . 2 . . . A 18 GLU HG3 . 17968 1 207 . 1 1 20 20 GLU CA C 13 59.83 0.30 . 1 . . . A 18 GLU CA . 17968 1 208 . 1 1 20 20 GLU CB C 13 29.63 0.30 . 1 . . . A 18 GLU CB . 17968 1 209 . 1 1 20 20 GLU CG C 13 36.43 0.30 . 1 . . . A 18 GLU CG . 17968 1 210 . 1 1 20 20 GLU N N 15 125.41 0.30 . 1 . . . A 18 GLU N . 17968 1 211 . 1 1 21 21 LEU H H 1 7.99 0.02 . 1 . . . A 19 LEU H . 17968 1 212 . 1 1 21 21 LEU HA H 1 4.29 0.02 . 1 . . . A 19 LEU HA . 17968 1 213 . 1 1 21 21 LEU HB2 H 1 1.62 0.02 . 2 . . . A 19 LEU HB2 . 17968 1 214 . 1 1 21 21 LEU HB3 H 1 1.57 0.02 . 2 . . . A 19 LEU HB3 . 17968 1 215 . 1 1 21 21 LEU HG H 1 1.78 0.02 . 1 . . . A 19 LEU HG . 17968 1 216 . 1 1 21 21 LEU HD11 H 1 0.85 0.02 . 1 . . . A 19 LEU HD11 . 17968 1 217 . 1 1 21 21 LEU HD12 H 1 0.85 0.02 . 1 . . . A 19 LEU HD12 . 17968 1 218 . 1 1 21 21 LEU HD13 H 1 0.85 0.02 . 1 . . . A 19 LEU HD13 . 17968 1 219 . 1 1 21 21 LEU HD21 H 1 0.79 0.02 . 1 . . . A 19 LEU HD21 . 17968 1 220 . 1 1 21 21 LEU HD22 H 1 0.79 0.02 . 1 . . . A 19 LEU HD22 . 17968 1 221 . 1 1 21 21 LEU HD23 H 1 0.79 0.02 . 1 . . . A 19 LEU HD23 . 17968 1 222 . 1 1 21 21 LEU CA C 13 54.93 0.30 . 1 . . . A 19 LEU CA . 17968 1 223 . 1 1 21 21 LEU CB C 13 42.23 0.30 . 1 . . . A 19 LEU CB . 17968 1 224 . 1 1 21 21 LEU CG C 13 27.03 0.30 . 1 . . . A 19 LEU CG . 17968 1 225 . 1 1 21 21 LEU CD1 C 13 22.33 0.30 . 1 . . . A 19 LEU CD1 . 17968 1 226 . 1 1 21 21 LEU CD2 C 13 25.53 0.30 . 1 . . . A 19 LEU CD2 . 17968 1 227 . 1 1 21 21 LEU N N 15 118.81 0.30 . 1 . . . A 19 LEU N . 17968 1 228 . 1 1 22 22 GLN H H 1 7.85 0.02 . 1 . . . A 20 GLN H . 17968 1 229 . 1 1 22 22 GLN HA H 1 3.94 0.02 . 1 . . . A 20 GLN HA . 17968 1 230 . 1 1 22 22 GLN HB2 H 1 2.27 0.02 . 2 . . . A 20 GLN HB2 . 17968 1 231 . 1 1 22 22 GLN HB3 H 1 2.16 0.02 . 2 . . . A 20 GLN HB3 . 17968 1 232 . 1 1 22 22 GLN HG2 H 1 2.28 0.02 . 1 . . . A 20 GLN HG2 . 17968 1 233 . 1 1 22 22 GLN HE21 H 1 7.60 0.02 . 1 . . . A 20 GLN HE21 . 17968 1 234 . 1 1 22 22 GLN HE22 H 1 6.81 0.02 . 1 . . . A 20 GLN HE22 . 17968 1 235 . 1 1 22 22 GLN CA C 13 56.63 0.30 . 1 . . . A 20 GLN CA . 17968 1 236 . 1 1 22 22 GLN CB C 13 26.13 0.30 . 1 . . . A 20 GLN CB . 17968 1 237 . 1 1 22 22 GLN CG C 13 34.43 0.30 . 1 . . . A 20 GLN CG . 17968 1 238 . 1 1 22 22 GLN N N 15 118.31 0.30 . 1 . . . A 20 GLN N . 17968 1 239 . 1 1 22 22 GLN NE2 N 15 114.71 0.30 . 1 . . . A 20 GLN NE2 . 17968 1 240 . 1 1 23 23 THR H H 1 8.21 0.02 . 1 . . . A 21 THR H . 17968 1 241 . 1 1 23 23 THR HA H 1 4.92 0.02 . 1 . . . A 21 THR HA . 17968 1 242 . 1 1 23 23 THR HB H 1 3.86 0.02 . 1 . . . A 21 THR HB . 17968 1 243 . 1 1 23 23 THR HG21 H 1 1.10 0.02 . 1 . . . A 21 THR HG21 . 17968 1 244 . 1 1 23 23 THR HG22 H 1 1.10 0.02 . 1 . . . A 21 THR HG22 . 17968 1 245 . 1 1 23 23 THR HG23 H 1 1.10 0.02 . 1 . . . A 21 THR HG23 . 17968 1 246 . 1 1 23 23 THR CA C 13 58.73 0.30 . 1 . . . A 21 THR CA . 17968 1 247 . 1 1 23 23 THR CB C 13 70.33 0.30 . 1 . . . A 21 THR CB . 17968 1 248 . 1 1 23 23 THR CG2 C 13 19.53 0.30 . 1 . . . A 21 THR CG2 . 17968 1 249 . 1 1 23 23 THR N N 15 115.81 0.30 . 1 . . . A 21 THR N . 17968 1 250 . 1 1 24 24 THR H H 1 8.62 0.02 . 1 . . . A 22 THR H . 17968 1 251 . 1 1 24 24 THR HA H 1 4.86 0.02 . 1 . . . A 22 THR HA . 17968 1 252 . 1 1 24 24 THR HB H 1 4.45 0.02 . 1 . . . A 22 THR HB . 17968 1 253 . 1 1 24 24 THR HG21 H 1 1.26 0.02 . 1 . . . A 22 THR HG21 . 17968 1 254 . 1 1 24 24 THR HG22 H 1 1.26 0.02 . 1 . . . A 22 THR HG22 . 17968 1 255 . 1 1 24 24 THR HG23 H 1 1.26 0.02 . 1 . . . A 22 THR HG23 . 17968 1 256 . 1 1 24 24 THR CA C 13 59.83 0.30 . 1 . . . A 22 THR CA . 17968 1 257 . 1 1 24 24 THR CB C 13 74.03 0.30 . 1 . . . A 22 THR CB . 17968 1 258 . 1 1 24 24 THR CG2 C 13 21.03 0.30 . 1 . . . A 22 THR CG2 . 17968 1 259 . 1 1 24 24 THR N N 15 112.81 0.30 . 1 . . . A 22 THR N . 17968 1 260 . 1 1 25 25 ILE H H 1 9.02 0.02 . 1 . . . A 23 ILE H . 17968 1 261 . 1 1 25 25 ILE HA H 1 3.66 0.02 . 1 . . . A 23 ILE HA . 17968 1 262 . 1 1 25 25 ILE HB H 1 1.36 0.02 . 1 . . . A 23 ILE HB . 17968 1 263 . 1 1 25 25 ILE HG12 H 1 1.05 0.02 . 2 . . . A 23 ILE HG12 . 17968 1 264 . 1 1 25 25 ILE HG13 H 1 1.03 0.02 . 2 . . . A 23 ILE HG13 . 17968 1 265 . 1 1 25 25 ILE HG21 H 1 0.31 0.02 . 1 . . . A 23 ILE HG21 . 17968 1 266 . 1 1 25 25 ILE HG22 H 1 0.31 0.02 . 1 . . . A 23 ILE HG22 . 17968 1 267 . 1 1 25 25 ILE HG23 H 1 0.31 0.02 . 1 . . . A 23 ILE HG23 . 17968 1 268 . 1 1 25 25 ILE HD11 H 1 0.55 0.02 . 1 . . . A 23 ILE HD11 . 17968 1 269 . 1 1 25 25 ILE HD12 H 1 0.55 0.02 . 1 . . . A 23 ILE HD12 . 17968 1 270 . 1 1 25 25 ILE HD13 H 1 0.55 0.02 . 1 . . . A 23 ILE HD13 . 17968 1 271 . 1 1 25 25 ILE CA C 13 62.73 0.30 . 1 . . . A 23 ILE CA . 17968 1 272 . 1 1 25 25 ILE CB C 13 38.23 0.30 . 1 . . . A 23 ILE CB . 17968 1 273 . 1 1 25 25 ILE CG1 C 13 28.93 0.30 . 1 . . . A 23 ILE CG1 . 17968 1 274 . 1 1 25 25 ILE CG2 C 13 16.23 0.30 . 1 . . . A 23 ILE CG2 . 17968 1 275 . 1 1 25 25 ILE CD1 C 13 15.03 0.30 . 1 . . . A 23 ILE CD1 . 17968 1 276 . 1 1 25 25 ILE N N 15 124.31 0.30 . 1 . . . A 23 ILE N . 17968 1 277 . 1 1 26 26 HIS H H 1 6.87 0.02 . 1 . . . A 24 HIS H . 17968 1 278 . 1 1 26 26 HIS HA H 1 4.38 0.02 . 1 . . . A 24 HIS HA . 17968 1 279 . 1 1 26 26 HIS HB2 H 1 3.19 0.02 . 2 . . . A 24 HIS HB2 . 17968 1 280 . 1 1 26 26 HIS HB3 H 1 2.64 0.02 . 2 . . . A 24 HIS HB3 . 17968 1 281 . 1 1 26 26 HIS HD2 H 1 7.14 0.02 . 1 . . . A 24 HIS HD2 . 17968 1 282 . 1 1 26 26 HIS HE1 H 1 7.68 0.02 . 1 . . . A 24 HIS HE1 . 17968 1 283 . 1 1 26 26 HIS CA C 13 56.43 0.30 . 1 . . . A 24 HIS CA . 17968 1 284 . 1 1 26 26 HIS CB C 13 30.73 0.30 . 1 . . . A 24 HIS CB . 17968 1 285 . 1 1 26 26 HIS N N 15 119.21 0.30 . 1 . . . A 24 HIS N . 17968 1 286 . 1 1 27 27 ASP H H 1 7.22 0.02 . 1 . . . A 25 ASP H . 17968 1 287 . 1 1 27 27 ASP HA H 1 4.75 0.02 . 1 . . . A 25 ASP HA . 17968 1 288 . 1 1 27 27 ASP HB2 H 1 2.63 0.02 . 2 . . . A 25 ASP HB2 . 17968 1 289 . 1 1 27 27 ASP HB3 H 1 2.45 0.02 . 2 . . . A 25 ASP HB3 . 17968 1 290 . 1 1 27 27 ASP CA C 13 54.43 0.30 . 1 . . . A 25 ASP CA . 17968 1 291 . 1 1 27 27 ASP CB C 13 44.33 0.30 . 1 . . . A 25 ASP CB . 17968 1 292 . 1 1 27 27 ASP N N 15 116.51 0.30 . 1 . . . A 25 ASP N . 17968 1 293 . 1 1 28 28 ILE H H 1 7.69 0.02 . 1 . . . A 26 ILE H . 17968 1 294 . 1 1 28 28 ILE HA H 1 3.90 0.02 . 1 . . . A 26 ILE HA . 17968 1 295 . 1 1 28 28 ILE HB H 1 1.80 0.02 . 1 . . . A 26 ILE HB . 17968 1 296 . 1 1 28 28 ILE HG12 H 1 1.47 0.02 . 2 . . . A 26 ILE HG12 . 17968 1 297 . 1 1 28 28 ILE HG13 H 1 0.84 0.02 . 2 . . . A 26 ILE HG13 . 17968 1 298 . 1 1 28 28 ILE HG21 H 1 0.65 0.02 . 1 . . . A 26 ILE HG21 . 17968 1 299 . 1 1 28 28 ILE HG22 H 1 0.65 0.02 . 1 . . . A 26 ILE HG22 . 17968 1 300 . 1 1 28 28 ILE HG23 H 1 0.65 0.02 . 1 . . . A 26 ILE HG23 . 17968 1 301 . 1 1 28 28 ILE HD11 H 1 0.63 0.02 . 1 . . . A 26 ILE HD11 . 17968 1 302 . 1 1 28 28 ILE HD12 H 1 0.63 0.02 . 1 . . . A 26 ILE HD12 . 17968 1 303 . 1 1 28 28 ILE HD13 H 1 0.63 0.02 . 1 . . . A 26 ILE HD13 . 17968 1 304 . 1 1 28 28 ILE CA C 13 63.13 0.30 . 1 . . . A 26 ILE CA . 17968 1 305 . 1 1 28 28 ILE CB C 13 37.93 0.30 . 1 . . . A 26 ILE CB . 17968 1 306 . 1 1 28 28 ILE CG1 C 13 29.63 0.30 . 1 . . . A 26 ILE CG1 . 17968 1 307 . 1 1 28 28 ILE CG2 C 13 16.33 0.30 . 1 . . . A 26 ILE CG2 . 17968 1 308 . 1 1 28 28 ILE CD1 C 13 14.93 0.30 . 1 . . . A 26 ILE CD1 . 17968 1 309 . 1 1 28 28 ILE N N 15 123.31 0.30 . 1 . . . A 26 ILE N . 17968 1 310 . 1 1 29 29 ILE H H 1 8.23 0.02 . 1 . . . A 27 ILE H . 17968 1 311 . 1 1 29 29 ILE HA H 1 4.36 0.02 . 1 . . . A 27 ILE HA . 17968 1 312 . 1 1 29 29 ILE HB H 1 1.74 0.02 . 1 . . . A 27 ILE HB . 17968 1 313 . 1 1 29 29 ILE HG12 H 1 1.48 0.02 . 2 . . . A 27 ILE HG12 . 17968 1 314 . 1 1 29 29 ILE HG13 H 1 1.18 0.02 . 2 . . . A 27 ILE HG13 . 17968 1 315 . 1 1 29 29 ILE HG21 H 1 0.66 0.02 . 1 . . . A 27 ILE HG21 . 17968 1 316 . 1 1 29 29 ILE HG22 H 1 0.66 0.02 . 1 . . . A 27 ILE HG22 . 17968 1 317 . 1 1 29 29 ILE HG23 H 1 0.66 0.02 . 1 . . . A 27 ILE HG23 . 17968 1 318 . 1 1 29 29 ILE HD11 H 1 0.70 0.02 . 1 . . . A 27 ILE HD11 . 17968 1 319 . 1 1 29 29 ILE HD12 H 1 0.70 0.02 . 1 . . . A 27 ILE HD12 . 17968 1 320 . 1 1 29 29 ILE HD13 H 1 0.70 0.02 . 1 . . . A 27 ILE HD13 . 17968 1 321 . 1 1 29 29 ILE CA C 13 58.83 0.30 . 1 . . . A 27 ILE CA . 17968 1 322 . 1 1 29 29 ILE CB C 13 37.73 0.30 . 1 . . . A 27 ILE CB . 17968 1 323 . 1 1 29 29 ILE CG1 C 13 26.53 0.30 . 1 . . . A 27 ILE CG1 . 17968 1 324 . 1 1 29 29 ILE CG2 C 13 17.03 0.30 . 1 . . . A 27 ILE CG2 . 17968 1 325 . 1 1 29 29 ILE CD1 C 13 11.43 0.30 . 1 . . . A 27 ILE CD1 . 17968 1 326 . 1 1 29 29 ILE N N 15 130.91 0.30 . 1 . . . A 27 ILE N . 17968 1 327 . 1 1 30 30 LEU H H 1 8.45 0.02 . 1 . . . A 28 LEU H . 17968 1 328 . 1 1 30 30 LEU HA H 1 4.65 0.02 . 1 . . . A 28 LEU HA . 17968 1 329 . 1 1 30 30 LEU HB2 H 1 1.09 0.02 . 2 . . . A 28 LEU HB2 . 17968 1 330 . 1 1 30 30 LEU HB3 H 1 1.06 0.02 . 2 . . . A 28 LEU HB3 . 17968 1 331 . 1 1 30 30 LEU HG H 1 1.19 0.02 . 1 . . . A 28 LEU HG . 17968 1 332 . 1 1 30 30 LEU HD11 H 1 0.49 0.02 . 1 . . . A 28 LEU HD11 . 17968 1 333 . 1 1 30 30 LEU HD12 H 1 0.49 0.02 . 1 . . . A 28 LEU HD12 . 17968 1 334 . 1 1 30 30 LEU HD13 H 1 0.49 0.02 . 1 . . . A 28 LEU HD13 . 17968 1 335 . 1 1 30 30 LEU HD21 H 1 0.44 0.02 . 1 . . . A 28 LEU HD21 . 17968 1 336 . 1 1 30 30 LEU HD22 H 1 0.44 0.02 . 1 . . . A 28 LEU HD22 . 17968 1 337 . 1 1 30 30 LEU HD23 H 1 0.44 0.02 . 1 . . . A 28 LEU HD23 . 17968 1 338 . 1 1 30 30 LEU CA C 13 52.53 0.30 . 1 . . . A 28 LEU CA . 17968 1 339 . 1 1 30 30 LEU CB C 13 48.33 0.30 . 1 . . . A 28 LEU CB . 17968 1 340 . 1 1 30 30 LEU CG C 13 26.93 0.30 . 1 . . . A 28 LEU CG . 17968 1 341 . 1 1 30 30 LEU CD1 C 13 23.03 0.30 . 1 . . . A 28 LEU CD1 . 17968 1 342 . 1 1 30 30 LEU CD2 C 13 27.23 0.30 . 1 . . . A 28 LEU CD2 . 17968 1 343 . 1 1 30 30 LEU N N 15 129.31 0.30 . 1 . . . A 28 LEU N . 17968 1 344 . 1 1 31 31 GLU H H 1 8.82 0.02 . 1 . . . A 29 GLU H . 17968 1 345 . 1 1 31 31 GLU HA H 1 4.66 0.02 . 1 . . . A 29 GLU HA . 17968 1 346 . 1 1 31 31 GLU HB2 H 1 1.94 0.02 . 2 . . . A 29 GLU HB2 . 17968 1 347 . 1 1 31 31 GLU HB3 H 1 1.56 0.02 . 2 . . . A 29 GLU HB3 . 17968 1 348 . 1 1 31 31 GLU HG2 H 1 1.93 0.02 . 1 . . . A 29 GLU HG2 . 17968 1 349 . 1 1 31 31 GLU CA C 13 53.73 0.30 . 1 . . . A 29 GLU CA . 17968 1 350 . 1 1 31 31 GLU CB C 13 32.93 0.30 . 1 . . . A 29 GLU CB . 17968 1 351 . 1 1 31 31 GLU CG C 13 36.53 0.30 . 1 . . . A 29 GLU CG . 17968 1 352 . 1 1 31 31 GLU N N 15 121.81 0.30 . 1 . . . A 29 GLU N . 17968 1 353 . 1 1 32 32 CYS H H 1 8.24 0.02 . 1 . . . A 30 CYS H . 17968 1 354 . 1 1 32 32 CYS HA H 1 4.03 0.02 . 1 . . . A 30 CYS HA . 17968 1 355 . 1 1 32 32 CYS HB2 H 1 3.44 0.02 . 2 . . . A 30 CYS HB2 . 17968 1 356 . 1 1 32 32 CYS HB3 H 1 2.62 0.02 . 2 . . . A 30 CYS HB3 . 17968 1 357 . 1 1 32 32 CYS CA C 13 58.23 0.30 . 1 . . . A 30 CYS CA . 17968 1 358 . 1 1 32 32 CYS CB C 13 31.83 0.30 . 1 . . . A 30 CYS CB . 17968 1 359 . 1 1 32 32 CYS N N 15 125.51 0.30 . 1 . . . A 30 CYS N . 17968 1 360 . 1 1 33 33 VAL H H 1 8.88 0.02 . 1 . . . A 31 VAL H . 17968 1 361 . 1 1 33 33 VAL HA H 1 3.08 0.02 . 1 . . . A 31 VAL HA . 17968 1 362 . 1 1 33 33 VAL HB H 1 1.78 0.02 . 1 . . . A 31 VAL HB . 17968 1 363 . 1 1 33 33 VAL HG11 H 1 0.28 0.02 . 1 . . . A 31 VAL HG11 . 17968 1 364 . 1 1 33 33 VAL HG12 H 1 0.28 0.02 . 1 . . . A 31 VAL HG12 . 17968 1 365 . 1 1 33 33 VAL HG13 H 1 0.28 0.02 . 1 . . . A 31 VAL HG13 . 17968 1 366 . 1 1 33 33 VAL HG21 H 1 0.05 0.02 . 1 . . . A 31 VAL HG21 . 17968 1 367 . 1 1 33 33 VAL HG22 H 1 0.05 0.02 . 1 . . . A 31 VAL HG22 . 17968 1 368 . 1 1 33 33 VAL HG23 H 1 0.05 0.02 . 1 . . . A 31 VAL HG23 . 17968 1 369 . 1 1 33 33 VAL CA C 13 64.33 0.30 . 1 . . . A 31 VAL CA . 17968 1 370 . 1 1 33 33 VAL CB C 13 31.63 0.30 . 1 . . . A 31 VAL CB . 17968 1 371 . 1 1 33 33 VAL CG1 C 13 21.93 0.30 . 1 . . . A 31 VAL CG1 . 17968 1 372 . 1 1 33 33 VAL CG2 C 13 18.93 0.30 . 1 . . . A 31 VAL CG2 . 17968 1 373 . 1 1 33 33 VAL N N 15 132.31 0.30 . 1 . . . A 31 VAL N . 17968 1 374 . 1 1 34 34 TYR H H 1 8.62 0.02 . 1 . . . A 32 TYR H . 17968 1 375 . 1 1 34 34 TYR HA H 1 4.45 0.02 . 1 . . . A 32 TYR HA . 17968 1 376 . 1 1 34 34 TYR HB2 H 1 3.68 0.02 . 2 . . . A 32 TYR HB2 . 17968 1 377 . 1 1 34 34 TYR HB3 H 1 3.10 0.02 . 2 . . . A 32 TYR HB3 . 17968 1 378 . 1 1 34 34 TYR HD2 H 1 6.99 0.02 . 1 . . . A 32 TYR HD2 . 17968 1 379 . 1 1 34 34 TYR HE2 H 1 6.52 0.02 . 1 . . . A 32 TYR HE2 . 17968 1 380 . 1 1 34 34 TYR CA C 13 61.03 0.30 . 1 . . . A 32 TYR CA . 17968 1 381 . 1 1 34 34 TYR CB C 13 40.03 0.30 . 1 . . . A 32 TYR CB . 17968 1 382 . 1 1 34 34 TYR N N 15 124.21 0.30 . 1 . . . A 32 TYR N . 17968 1 383 . 1 1 35 35 CYS H H 1 8.09 0.02 . 1 . . . A 33 CYS H . 17968 1 384 . 1 1 35 35 CYS HA H 1 4.80 0.02 . 1 . . . A 33 CYS HA . 17968 1 385 . 1 1 35 35 CYS HB2 H 1 3.23 0.02 . 2 . . . A 33 CYS HB2 . 17968 1 386 . 1 1 35 35 CYS HB3 H 1 2.64 0.02 . 2 . . . A 33 CYS HB3 . 17968 1 387 . 1 1 35 35 CYS CA C 13 59.33 0.30 . 1 . . . A 33 CYS CA . 17968 1 388 . 1 1 35 35 CYS CB C 13 32.23 0.30 . 1 . . . A 33 CYS CB . 17968 1 389 . 1 1 35 35 CYS N N 15 119.81 0.30 . 1 . . . A 33 CYS N . 17968 1 390 . 1 1 36 36 LYS H H 1 7.87 0.02 . 1 . . . A 34 LYS H . 17968 1 391 . 1 1 36 36 LYS HA H 1 4.16 0.02 . 1 . . . A 34 LYS HA . 17968 1 392 . 1 1 36 36 LYS HB3 H 1 2.05 0.02 . 1 . . . A 34 LYS HB3 . 17968 1 393 . 1 1 36 36 LYS HG2 H 1 1.27 0.02 . 2 . . . A 34 LYS HG2 . 17968 1 394 . 1 1 36 36 LYS HG3 H 1 1.19 0.02 . 2 . . . A 34 LYS HG3 . 17968 1 395 . 1 1 36 36 LYS HD2 H 1 1.59 0.02 . 2 . . . A 34 LYS HD2 . 17968 1 396 . 1 1 36 36 LYS HD3 H 1 1.48 0.02 . 2 . . . A 34 LYS HD3 . 17968 1 397 . 1 1 36 36 LYS HE2 H 1 2.74 0.02 . 1 . . . A 34 LYS HE2 . 17968 1 398 . 1 1 36 36 LYS CA C 13 57.83 0.30 . 1 . . . A 34 LYS CA . 17968 1 399 . 1 1 36 36 LYS CB C 13 29.23 0.30 . 1 . . . A 34 LYS CB . 17968 1 400 . 1 1 36 36 LYS CG C 13 25.03 0.30 . 1 . . . A 34 LYS CG . 17968 1 401 . 1 1 36 36 LYS CD C 13 28.33 0.30 . 1 . . . A 34 LYS CD . 17968 1 402 . 1 1 36 36 LYS CE C 13 42.33 0.30 . 1 . . . A 34 LYS CE . 17968 1 403 . 1 1 36 36 LYS N N 15 119.81 0.30 . 1 . . . A 34 LYS N . 17968 1 404 . 1 1 37 37 GLN H H 1 8.25 0.02 . 1 . . . A 35 GLN H . 17968 1 405 . 1 1 37 37 GLN HA H 1 4.37 0.02 . 1 . . . A 35 GLN HA . 17968 1 406 . 1 1 37 37 GLN HB2 H 1 2.18 0.02 . 2 . . . A 35 GLN HB2 . 17968 1 407 . 1 1 37 37 GLN HB3 H 1 2.02 0.02 . 2 . . . A 35 GLN HB3 . 17968 1 408 . 1 1 37 37 GLN HG2 H 1 2.50 0.02 . 1 . . . A 35 GLN HG2 . 17968 1 409 . 1 1 37 37 GLN HE21 H 1 7.62 0.02 . 1 . . . A 35 GLN HE21 . 17968 1 410 . 1 1 37 37 GLN HE22 H 1 6.89 0.02 . 1 . . . A 35 GLN HE22 . 17968 1 411 . 1 1 37 37 GLN CA C 13 55.43 0.30 . 1 . . . A 35 GLN CA . 17968 1 412 . 1 1 37 37 GLN CB C 13 29.73 0.30 . 1 . . . A 35 GLN CB . 17968 1 413 . 1 1 37 37 GLN CG C 13 35.03 0.30 . 1 . . . A 35 GLN CG . 17968 1 414 . 1 1 37 37 GLN N N 15 120.61 0.30 . 1 . . . A 35 GLN N . 17968 1 415 . 1 1 37 37 GLN NE2 N 15 116.41 0.30 . 1 . . . A 35 GLN NE2 . 17968 1 416 . 1 1 38 38 GLN H H 1 8.63 0.02 . 1 . . . A 36 GLN H . 17968 1 417 . 1 1 38 38 GLN HA H 1 4.36 0.02 . 1 . . . A 36 GLN HA . 17968 1 418 . 1 1 38 38 GLN HB2 H 1 1.99 0.02 . 2 . . . A 36 GLN HB2 . 17968 1 419 . 1 1 38 38 GLN HB3 H 1 1.80 0.02 . 2 . . . A 36 GLN HB3 . 17968 1 420 . 1 1 38 38 GLN HG2 H 1 2.34 0.02 . 2 . . . A 36 GLN HG2 . 17968 1 421 . 1 1 38 38 GLN HG3 H 1 2.24 0.02 . 2 . . . A 36 GLN HG3 . 17968 1 422 . 1 1 38 38 GLN HE21 H 1 7.71 0.02 . 1 . . . A 36 GLN HE21 . 17968 1 423 . 1 1 38 38 GLN HE22 H 1 6.86 0.02 . 1 . . . A 36 GLN HE22 . 17968 1 424 . 1 1 38 38 GLN CA C 13 56.83 0.30 . 1 . . . A 36 GLN CA . 17968 1 425 . 1 1 38 38 GLN CB C 13 29.43 0.30 . 1 . . . A 36 GLN CB . 17968 1 426 . 1 1 38 38 GLN CG C 13 34.83 0.30 . 1 . . . A 36 GLN CG . 17968 1 427 . 1 1 38 38 GLN N N 15 123.61 0.30 . 1 . . . A 36 GLN N . 17968 1 428 . 1 1 38 38 GLN NE2 N 15 114.41 0.30 . 1 . . . A 36 GLN NE2 . 17968 1 429 . 1 1 39 39 LEU H H 1 8.83 0.02 . 1 . . . A 37 LEU H . 17968 1 430 . 1 1 39 39 LEU HA H 1 4.10 0.02 . 1 . . . A 37 LEU HA . 17968 1 431 . 1 1 39 39 LEU HB2 H 1 1.78 0.02 . 2 . . . A 37 LEU HB2 . 17968 1 432 . 1 1 39 39 LEU HB3 H 1 1.09 0.02 . 2 . . . A 37 LEU HB3 . 17968 1 433 . 1 1 39 39 LEU HG H 1 1.42 0.02 . 1 . . . A 37 LEU HG . 17968 1 434 . 1 1 39 39 LEU HD11 H 1 0.40 0.02 . 1 . . . A 37 LEU HD11 . 17968 1 435 . 1 1 39 39 LEU HD12 H 1 0.40 0.02 . 1 . . . A 37 LEU HD12 . 17968 1 436 . 1 1 39 39 LEU HD13 H 1 0.40 0.02 . 1 . . . A 37 LEU HD13 . 17968 1 437 . 1 1 39 39 LEU HD21 H 1 0.36 0.02 . 1 . . . A 37 LEU HD21 . 17968 1 438 . 1 1 39 39 LEU HD22 H 1 0.36 0.02 . 1 . . . A 37 LEU HD22 . 17968 1 439 . 1 1 39 39 LEU HD23 H 1 0.36 0.02 . 1 . . . A 37 LEU HD23 . 17968 1 440 . 1 1 39 39 LEU CA C 13 57.23 0.30 . 1 . . . A 37 LEU CA . 17968 1 441 . 1 1 39 39 LEU CB C 13 42.13 0.30 . 1 . . . A 37 LEU CB . 17968 1 442 . 1 1 39 39 LEU CG C 13 32.63 0.30 . 1 . . . A 37 LEU CG . 17968 1 443 . 1 1 39 39 LEU CD1 C 13 23.43 0.30 . 1 . . . A 37 LEU CD1 . 17968 1 444 . 1 1 39 39 LEU CD2 C 13 25.93 0.30 . 1 . . . A 37 LEU CD2 . 17968 1 445 . 1 1 39 39 LEU N N 15 131.41 0.30 . 1 . . . A 37 LEU N . 17968 1 446 . 1 1 40 40 LEU H H 1 9.78 0.02 . 1 . . . A 38 LEU H . 17968 1 447 . 1 1 40 40 LEU HA H 1 4.29 0.02 . 1 . . . A 38 LEU HA . 17968 1 448 . 1 1 40 40 LEU HB2 H 1 1.78 0.02 . 2 . . . A 38 LEU HB2 . 17968 1 449 . 1 1 40 40 LEU HB3 H 1 1.56 0.02 . 2 . . . A 38 LEU HB3 . 17968 1 450 . 1 1 40 40 LEU HG H 1 1.87 0.02 . 1 . . . A 38 LEU HG . 17968 1 451 . 1 1 40 40 LEU HD11 H 1 0.95 0.02 . 1 . . . A 38 LEU HD11 . 17968 1 452 . 1 1 40 40 LEU HD12 H 1 0.95 0.02 . 1 . . . A 38 LEU HD12 . 17968 1 453 . 1 1 40 40 LEU HD13 H 1 0.95 0.02 . 1 . . . A 38 LEU HD13 . 17968 1 454 . 1 1 40 40 LEU HD21 H 1 0.93 0.02 . 1 . . . A 38 LEU HD21 . 17968 1 455 . 1 1 40 40 LEU HD22 H 1 0.93 0.02 . 1 . . . A 38 LEU HD22 . 17968 1 456 . 1 1 40 40 LEU HD23 H 1 0.93 0.02 . 1 . . . A 38 LEU HD23 . 17968 1 457 . 1 1 40 40 LEU CA C 13 54.33 0.30 . 1 . . . A 38 LEU CA . 17968 1 458 . 1 1 40 40 LEU CB C 13 42.93 0.30 . 1 . . . A 38 LEU CB . 17968 1 459 . 1 1 40 40 LEU CG C 13 27.53 0.30 . 1 . . . A 38 LEU CG . 17968 1 460 . 1 1 40 40 LEU CD1 C 13 25.73 0.30 . 1 . . . A 38 LEU CD1 . 17968 1 461 . 1 1 40 40 LEU CD2 C 13 22.53 0.30 . 1 . . . A 38 LEU CD2 . 17968 1 462 . 1 1 40 40 LEU N N 15 126.41 0.30 . 1 . . . A 38 LEU N . 17968 1 463 . 1 1 41 41 ARG H H 1 8.88 0.02 . 1 . . . A 39 ARG H . 17968 1 464 . 1 1 41 41 ARG HA H 1 3.45 0.02 . 1 . . . A 39 ARG HA . 17968 1 465 . 1 1 41 41 ARG HB2 H 1 1.98 0.02 . 2 . . . A 39 ARG HB2 . 17968 1 466 . 1 1 41 41 ARG HB3 H 1 1.85 0.02 . 2 . . . A 39 ARG HB3 . 17968 1 467 . 1 1 41 41 ARG HG2 H 1 1.93 0.02 . 2 . . . A 39 ARG HG2 . 17968 1 468 . 1 1 41 41 ARG HG3 H 1 1.58 0.02 . 2 . . . A 39 ARG HG3 . 17968 1 469 . 1 1 41 41 ARG HD2 H 1 3.03 0.02 . 1 . . . A 39 ARG HD2 . 17968 1 470 . 1 1 41 41 ARG CA C 13 57.93 0.30 . 1 . . . A 39 ARG CA . 17968 1 471 . 1 1 41 41 ARG CB C 13 27.03 0.30 . 1 . . . A 39 ARG CB . 17968 1 472 . 1 1 41 41 ARG CG C 13 27.03 0.30 . 1 . . . A 39 ARG CG . 17968 1 473 . 1 1 41 41 ARG CD C 13 43.33 0.30 . 1 . . . A 39 ARG CD . 17968 1 474 . 1 1 41 41 ARG N N 15 126.61 0.30 . 1 . . . A 39 ARG N . 17968 1 475 . 1 1 42 42 ARG H H 1 8.59 0.02 . 1 . . . A 40 ARG H . 17968 1 476 . 1 1 42 42 ARG HA H 1 4.00 0.02 . 1 . . . A 40 ARG HA . 17968 1 477 . 1 1 42 42 ARG HB2 H 1 1.98 0.02 . 2 . . . A 40 ARG HB2 . 17968 1 478 . 1 1 42 42 ARG HB3 H 1 1.82 0.02 . 2 . . . A 40 ARG HB3 . 17968 1 479 . 1 1 42 42 ARG HG2 H 1 1.59 0.02 . 1 . . . A 40 ARG HG2 . 17968 1 480 . 1 1 42 42 ARG HD2 H 1 3.06 0.02 . 1 . . . A 40 ARG HD2 . 17968 1 481 . 1 1 42 42 ARG CA C 13 58.53 0.30 . 1 . . . A 40 ARG CA . 17968 1 482 . 1 1 42 42 ARG CB C 13 32.83 0.30 . 1 . . . A 40 ARG CB . 17968 1 483 . 1 1 42 42 ARG CG C 13 27.03 0.30 . 1 . . . A 40 ARG CG . 17968 1 484 . 1 1 42 42 ARG CD C 13 43.33 0.30 . 1 . . . A 40 ARG CD . 17968 1 485 . 1 1 42 42 ARG N N 15 116.41 0.30 . 1 . . . A 40 ARG N . 17968 1 486 . 1 1 43 43 GLU H H 1 6.80 0.02 . 1 . . . A 41 GLU H . 17968 1 487 . 1 1 43 43 GLU HA H 1 4.26 0.02 . 1 . . . A 41 GLU HA . 17968 1 488 . 1 1 43 43 GLU HB2 H 1 2.08 0.02 . 2 . . . A 41 GLU HB2 . 17968 1 489 . 1 1 43 43 GLU HB3 H 1 1.88 0.02 . 2 . . . A 41 GLU HB3 . 17968 1 490 . 1 1 43 43 GLU HG2 H 1 2.43 0.02 . 2 . . . A 41 GLU HG2 . 17968 1 491 . 1 1 43 43 GLU HG3 H 1 2.33 0.02 . 2 . . . A 41 GLU HG3 . 17968 1 492 . 1 1 43 43 GLU CA C 13 58.93 0.30 . 1 . . . A 41 GLU CA . 17968 1 493 . 1 1 43 43 GLU CB C 13 30.53 0.30 . 1 . . . A 41 GLU CB . 17968 1 494 . 1 1 43 43 GLU CG C 13 38.63 0.30 . 1 . . . A 41 GLU CG . 17968 1 495 . 1 1 43 43 GLU N N 15 117.71 0.30 . 1 . . . A 41 GLU N . 17968 1 496 . 1 1 44 44 VAL H H 1 7.76 0.02 . 1 . . . A 42 VAL H . 17968 1 497 . 1 1 44 44 VAL HA H 1 3.18 0.02 . 1 . . . A 42 VAL HA . 17968 1 498 . 1 1 44 44 VAL HB H 1 2.09 0.02 . 1 . . . A 42 VAL HB . 17968 1 499 . 1 1 44 44 VAL HG11 H 1 0.74 0.02 . 1 . . . A 42 VAL HG11 . 17968 1 500 . 1 1 44 44 VAL HG12 H 1 0.74 0.02 . 1 . . . A 42 VAL HG12 . 17968 1 501 . 1 1 44 44 VAL HG13 H 1 0.74 0.02 . 1 . . . A 42 VAL HG13 . 17968 1 502 . 1 1 44 44 VAL HG21 H 1 0.67 0.02 . 1 . . . A 42 VAL HG21 . 17968 1 503 . 1 1 44 44 VAL HG22 H 1 0.67 0.02 . 1 . . . A 42 VAL HG22 . 17968 1 504 . 1 1 44 44 VAL HG23 H 1 0.67 0.02 . 1 . . . A 42 VAL HG23 . 17968 1 505 . 1 1 44 44 VAL CA C 13 67.53 0.30 . 1 . . . A 42 VAL CA . 17968 1 506 . 1 1 44 44 VAL CB C 13 31.33 0.30 . 1 . . . A 42 VAL CB . 17968 1 507 . 1 1 44 44 VAL CG1 C 13 23.43 0.30 . 1 . . . A 42 VAL CG1 . 17968 1 508 . 1 1 44 44 VAL CG2 C 13 22.23 0.30 . 1 . . . A 42 VAL CG2 . 17968 1 509 . 1 1 44 44 VAL N N 15 124.71 0.30 . 1 . . . A 42 VAL N . 17968 1 510 . 1 1 45 45 TYR H H 1 7.60 0.02 . 1 . . . A 43 TYR H . 17968 1 511 . 1 1 45 45 TYR HA H 1 4.19 0.02 . 1 . . . A 43 TYR HA . 17968 1 512 . 1 1 45 45 TYR HB3 H 1 3.01 0.02 . 1 . . . A 43 TYR HB3 . 17968 1 513 . 1 1 45 45 TYR HD1 H 1 6.75 0.02 . 1 . . . A 43 TYR HD1 . 17968 1 514 . 1 1 45 45 TYR HE1 H 1 6.54 0.02 . 1 . . . A 43 TYR HE1 . 17968 1 515 . 1 1 45 45 TYR CA C 13 59.13 0.30 . 1 . . . A 43 TYR CA . 17968 1 516 . 1 1 45 45 TYR CB C 13 38.73 0.30 . 1 . . . A 43 TYR CB . 17968 1 517 . 1 1 45 45 TYR N N 15 118.31 0.30 . 1 . . . A 43 TYR N . 17968 1 518 . 1 1 46 46 ASP H H 1 8.66 0.02 . 1 . . . A 44 ASP H . 17968 1 519 . 1 1 46 46 ASP HA H 1 4.71 0.02 . 1 . . . A 44 ASP HA . 17968 1 520 . 1 1 46 46 ASP HB2 H 1 2.84 0.02 . 2 . . . A 44 ASP HB2 . 17968 1 521 . 1 1 46 46 ASP HB3 H 1 2.71 0.02 . 2 . . . A 44 ASP HB3 . 17968 1 522 . 1 1 46 46 ASP CA C 13 58.03 0.30 . 1 . . . A 44 ASP CA . 17968 1 523 . 1 1 46 46 ASP CB C 13 40.83 0.30 . 1 . . . A 44 ASP CB . 17968 1 524 . 1 1 46 46 ASP N N 15 120.91 0.30 . 1 . . . A 44 ASP N . 17968 1 525 . 1 1 47 47 PHE H H 1 8.25 0.02 . 1 . . . A 45 PHE H . 17968 1 526 . 1 1 47 47 PHE HA H 1 3.93 0.02 . 1 . . . A 45 PHE HA . 17968 1 527 . 1 1 47 47 PHE HB2 H 1 3.33 0.02 . 2 . . . A 45 PHE HB2 . 17968 1 528 . 1 1 47 47 PHE HB3 H 1 3.25 0.02 . 2 . . . A 45 PHE HB3 . 17968 1 529 . 1 1 47 47 PHE HD1 H 1 7.22 0.02 . 1 . . . A 45 PHE HD1 . 17968 1 530 . 1 1 47 47 PHE HE1 H 1 7.07 0.02 . 1 . . . A 45 PHE HE1 . 17968 1 531 . 1 1 47 47 PHE HZ H 1 7.28 0.02 . 1 . . . A 45 PHE HZ . 17968 1 532 . 1 1 47 47 PHE CA C 13 62.63 0.30 . 1 . . . A 45 PHE CA . 17968 1 533 . 1 1 47 47 PHE CB C 13 39.03 0.30 . 1 . . . A 45 PHE CB . 17968 1 534 . 1 1 47 47 PHE N N 15 125.31 0.30 . 1 . . . A 45 PHE N . 17968 1 535 . 1 1 48 48 ALA H H 1 7.79 0.02 . 1 . . . A 46 ALA H . 17968 1 536 . 1 1 48 48 ALA HA H 1 4.50 0.02 . 1 . . . A 46 ALA HA . 17968 1 537 . 1 1 48 48 ALA HB1 H 1 1.49 0.02 . 1 . . . A 46 ALA HB1 . 17968 1 538 . 1 1 48 48 ALA HB2 H 1 1.49 0.02 . 1 . . . A 46 ALA HB2 . 17968 1 539 . 1 1 48 48 ALA HB3 H 1 1.49 0.02 . 1 . . . A 46 ALA HB3 . 17968 1 540 . 1 1 48 48 ALA CA C 13 54.13 0.30 . 1 . . . A 46 ALA CA . 17968 1 541 . 1 1 48 48 ALA CB C 13 18.73 0.30 . 1 . . . A 46 ALA CB . 17968 1 542 . 1 1 48 48 ALA N N 15 119.71 0.30 . 1 . . . A 46 ALA N . 17968 1 543 . 1 1 49 49 PHE H H 1 9.04 0.02 . 1 . . . A 47 PHE H . 17968 1 544 . 1 1 49 49 PHE HA H 1 4.55 0.02 . 1 . . . A 47 PHE HA . 17968 1 545 . 1 1 49 49 PHE HB3 H 1 3.34 0.02 . 1 . . . A 47 PHE HB3 . 17968 1 546 . 1 1 49 49 PHE HD1 H 1 7.28 0.02 . 1 . . . A 47 PHE HD1 . 17968 1 547 . 1 1 49 49 PHE HE1 H 1 7.12 0.02 . 1 . . . A 47 PHE HE1 . 17968 1 548 . 1 1 49 49 PHE HZ H 1 6.99 0.02 . 1 . . . A 47 PHE HZ . 17968 1 549 . 1 1 49 49 PHE CA C 13 60.53 0.30 . 1 . . . A 47 PHE CA . 17968 1 550 . 1 1 49 49 PHE CB C 13 39.03 0.30 . 1 . . . A 47 PHE CB . 17968 1 551 . 1 1 49 49 PHE N N 15 123.21 0.30 . 1 . . . A 47 PHE N . 17968 1 552 . 1 1 50 50 ARG H H 1 8.10 0.02 . 1 . . . A 48 ARG H . 17968 1 553 . 1 1 50 50 ARG HA H 1 4.05 0.02 . 1 . . . A 48 ARG HA . 17968 1 554 . 1 1 50 50 ARG HB2 H 1 2.00 0.02 . 2 . . . A 48 ARG HB2 . 17968 1 555 . 1 1 50 50 ARG HB3 H 1 1.67 0.02 . 2 . . . A 48 ARG HB3 . 17968 1 556 . 1 1 50 50 ARG HG2 H 1 1.98 0.02 . 2 . . . A 48 ARG HG2 . 17968 1 557 . 1 1 50 50 ARG HG3 H 1 1.69 0.02 . 2 . . . A 48 ARG HG3 . 17968 1 558 . 1 1 50 50 ARG HD2 H 1 3.06 0.02 . 2 . . . A 48 ARG HD2 . 17968 1 559 . 1 1 50 50 ARG HD3 H 1 2.98 0.02 . 2 . . . A 48 ARG HD3 . 17968 1 560 . 1 1 50 50 ARG CA C 13 57.13 0.30 . 1 . . . A 48 ARG CA . 17968 1 561 . 1 1 50 50 ARG CB C 13 31.03 0.30 . 1 . . . A 48 ARG CB . 17968 1 562 . 1 1 50 50 ARG CG C 13 28.63 0.30 . 1 . . . A 48 ARG CG . 17968 1 563 . 1 1 50 50 ARG CD C 13 44.13 0.30 . 1 . . . A 48 ARG CD . 17968 1 564 . 1 1 50 50 ARG N N 15 119.81 0.30 . 1 . . . A 48 ARG N . 17968 1 565 . 1 1 51 51 ASP H H 1 8.01 0.02 . 1 . . . A 49 ASP H . 17968 1 566 . 1 1 51 51 ASP HA H 1 4.45 0.02 . 1 . . . A 49 ASP HA . 17968 1 567 . 1 1 51 51 ASP HB2 H 1 3.14 0.02 . 2 . . . A 49 ASP HB2 . 17968 1 568 . 1 1 51 51 ASP HB3 H 1 2.20 0.02 . 2 . . . A 49 ASP HB3 . 17968 1 569 . 1 1 51 51 ASP CA C 13 54.53 0.30 . 1 . . . A 49 ASP CA . 17968 1 570 . 1 1 51 51 ASP CB C 13 39.93 0.30 . 1 . . . A 49 ASP CB . 17968 1 571 . 1 1 51 51 ASP N N 15 120.91 0.30 . 1 . . . A 49 ASP N . 17968 1 572 . 1 1 52 52 LEU H H 1 6.72 0.02 . 1 . . . A 50 LEU H . 17968 1 573 . 1 1 52 52 LEU HA H 1 4.17 0.02 . 1 . . . A 50 LEU HA . 17968 1 574 . 1 1 52 52 LEU HB2 H 1 0.71 0.02 . 2 . . . A 50 LEU HB2 . 17968 1 575 . 1 1 52 52 LEU HB3 H 1 -0.11 0.02 . 2 . . . A 50 LEU HB3 . 17968 1 576 . 1 1 52 52 LEU HG H 1 1.17 0.02 . 1 . . . A 50 LEU HG . 17968 1 577 . 1 1 52 52 LEU HD11 H 1 0.65 0.02 . 1 . . . A 50 LEU HD11 . 17968 1 578 . 1 1 52 52 LEU HD12 H 1 0.65 0.02 . 1 . . . A 50 LEU HD12 . 17968 1 579 . 1 1 52 52 LEU HD13 H 1 0.65 0.02 . 1 . . . A 50 LEU HD13 . 17968 1 580 . 1 1 52 52 LEU HD21 H 1 0.53 0.02 . 1 . . . A 50 LEU HD21 . 17968 1 581 . 1 1 52 52 LEU HD22 H 1 0.53 0.02 . 1 . . . A 50 LEU HD22 . 17968 1 582 . 1 1 52 52 LEU HD23 H 1 0.53 0.02 . 1 . . . A 50 LEU HD23 . 17968 1 583 . 1 1 52 52 LEU CA C 13 54.23 0.30 . 1 . . . A 50 LEU CA . 17968 1 584 . 1 1 52 52 LEU CB C 13 41.23 0.30 . 1 . . . A 50 LEU CB . 17968 1 585 . 1 1 52 52 LEU CG C 13 26.73 0.30 . 1 . . . A 50 LEU CG . 17968 1 586 . 1 1 52 52 LEU CD1 C 13 22.23 0.30 . 1 . . . A 50 LEU CD1 . 17968 1 587 . 1 1 52 52 LEU CD2 C 13 26.63 0.30 . 1 . . . A 50 LEU CD2 . 17968 1 588 . 1 1 52 52 LEU N N 15 118.51 0.30 . 1 . . . A 50 LEU N . 17968 1 589 . 1 1 53 53 CYS H H 1 8.03 0.02 . 1 . . . A 51 CYS H . 17968 1 590 . 1 1 53 53 CYS HA H 1 4.91 0.02 . 1 . . . A 51 CYS HA . 17968 1 591 . 1 1 53 53 CYS HB2 H 1 3.02 0.02 . 2 . . . A 51 CYS HB2 . 17968 1 592 . 1 1 53 53 CYS HB3 H 1 2.87 0.02 . 2 . . . A 51 CYS HB3 . 17968 1 593 . 1 1 53 53 CYS CA C 13 58.73 0.30 . 1 . . . A 51 CYS CA . 17968 1 594 . 1 1 53 53 CYS CB C 13 28.73 0.30 . 1 . . . A 51 CYS CB . 17968 1 595 . 1 1 53 53 CYS N N 15 117.41 0.30 . 1 . . . A 51 CYS N . 17968 1 596 . 1 1 54 54 ILE H H 1 8.45 0.02 . 1 . . . A 52 ILE H . 17968 1 597 . 1 1 54 54 ILE HA H 1 3.99 0.02 . 1 . . . A 52 ILE HA . 17968 1 598 . 1 1 54 54 ILE HB H 1 1.76 0.02 . 1 . . . A 52 ILE HB . 17968 1 599 . 1 1 54 54 ILE HG12 H 1 1.49 0.02 . 2 . . . A 52 ILE HG12 . 17968 1 600 . 1 1 54 54 ILE HG13 H 1 1.14 0.02 . 2 . . . A 52 ILE HG13 . 17968 1 601 . 1 1 54 54 ILE HG21 H 1 0.37 0.02 . 1 . . . A 52 ILE HG21 . 17968 1 602 . 1 1 54 54 ILE HG22 H 1 0.37 0.02 . 1 . . . A 52 ILE HG22 . 17968 1 603 . 1 1 54 54 ILE HG23 H 1 0.37 0.02 . 1 . . . A 52 ILE HG23 . 17968 1 604 . 1 1 54 54 ILE HD11 H 1 0.47 0.02 . 1 . . . A 52 ILE HD11 . 17968 1 605 . 1 1 54 54 ILE HD12 H 1 0.47 0.02 . 1 . . . A 52 ILE HD12 . 17968 1 606 . 1 1 54 54 ILE HD13 H 1 0.47 0.02 . 1 . . . A 52 ILE HD13 . 17968 1 607 . 1 1 54 54 ILE CA C 13 59.93 0.30 . 1 . . . A 52 ILE CA . 17968 1 608 . 1 1 54 54 ILE CB C 13 37.73 0.30 . 1 . . . A 52 ILE CB . 17968 1 609 . 1 1 54 54 ILE CG1 C 13 26.53 0.30 . 1 . . . A 52 ILE CG1 . 17968 1 610 . 1 1 54 54 ILE CG2 C 13 17.63 0.30 . 1 . . . A 52 ILE CG2 . 17968 1 611 . 1 1 54 54 ILE CD1 C 13 11.13 0.30 . 1 . . . A 52 ILE CD1 . 17968 1 612 . 1 1 54 54 ILE N N 15 125.11 0.30 . 1 . . . A 52 ILE N . 17968 1 613 . 1 1 55 55 VAL H H 1 8.12 0.02 . 1 . . . A 53 VAL H . 17968 1 614 . 1 1 55 55 VAL HA H 1 4.35 0.02 . 1 . . . A 53 VAL HA . 17968 1 615 . 1 1 55 55 VAL HB H 1 1.72 0.02 . 1 . . . A 53 VAL HB . 17968 1 616 . 1 1 55 55 VAL HG11 H 1 0.79 0.02 . 1 . . . A 53 VAL HG11 . 17968 1 617 . 1 1 55 55 VAL HG12 H 1 0.79 0.02 . 1 . . . A 53 VAL HG12 . 17968 1 618 . 1 1 55 55 VAL HG13 H 1 0.79 0.02 . 1 . . . A 53 VAL HG13 . 17968 1 619 . 1 1 55 55 VAL HG21 H 1 0.80 0.02 . 1 . . . A 53 VAL HG21 . 17968 1 620 . 1 1 55 55 VAL HG22 H 1 0.80 0.02 . 1 . . . A 53 VAL HG22 . 17968 1 621 . 1 1 55 55 VAL HG23 H 1 0.80 0.02 . 1 . . . A 53 VAL HG23 . 17968 1 622 . 1 1 55 55 VAL CA C 13 60.63 0.30 . 1 . . . A 53 VAL CA . 17968 1 623 . 1 1 55 55 VAL CB C 13 34.23 0.30 . 1 . . . A 53 VAL CB . 17968 1 624 . 1 1 55 55 VAL CG1 C 13 22.13 0.30 . 1 . . . A 53 VAL CG1 . 17968 1 625 . 1 1 55 55 VAL CG2 C 13 20.23 0.30 . 1 . . . A 53 VAL CG2 . 17968 1 626 . 1 1 55 55 VAL N N 15 127.01 0.30 . 1 . . . A 53 VAL N . 17968 1 627 . 1 1 56 56 TYR H H 1 8.71 0.02 . 1 . . . A 54 TYR H . 17968 1 628 . 1 1 56 56 TYR HA H 1 5.38 0.02 . 1 . . . A 54 TYR HA . 17968 1 629 . 1 1 56 56 TYR HB2 H 1 2.71 0.02 . 2 . . . A 54 TYR HB2 . 17968 1 630 . 1 1 56 56 TYR HB3 H 1 2.52 0.02 . 2 . . . A 54 TYR HB3 . 17968 1 631 . 1 1 56 56 TYR HD2 H 1 6.64 0.02 . 1 . . . A 54 TYR HD2 . 17968 1 632 . 1 1 56 56 TYR HE2 H 1 6.46 0.02 . 1 . . . A 54 TYR HE2 . 17968 1 633 . 1 1 56 56 TYR CA C 13 57.43 0.30 . 1 . . . A 54 TYR CA . 17968 1 634 . 1 1 56 56 TYR CB C 13 41.03 0.30 . 1 . . . A 54 TYR CB . 17968 1 635 . 1 1 56 56 TYR N N 15 125.01 0.30 . 1 . . . A 54 TYR N . 17968 1 636 . 1 1 57 57 ARG H H 1 8.86 0.02 . 1 . . . A 55 ARG H . 17968 1 637 . 1 1 57 57 ARG HA H 1 4.63 0.02 . 1 . . . A 55 ARG HA . 17968 1 638 . 1 1 57 57 ARG HB2 H 1 1.75 0.02 . 2 . . . A 55 ARG HB2 . 17968 1 639 . 1 1 57 57 ARG HB3 H 1 1.62 0.02 . 2 . . . A 55 ARG HB3 . 17968 1 640 . 1 1 57 57 ARG HG2 H 1 1.39 0.02 . 2 . . . A 55 ARG HG2 . 17968 1 641 . 1 1 57 57 ARG HG3 H 1 1.30 0.02 . 2 . . . A 55 ARG HG3 . 17968 1 642 . 1 1 57 57 ARG HD2 H 1 2.91 0.02 . 1 . . . A 55 ARG HD2 . 17968 1 643 . 1 1 57 57 ARG CA C 13 55.33 0.30 . 1 . . . A 55 ARG CA . 17968 1 644 . 1 1 57 57 ARG CB C 13 32.83 0.30 . 1 . . . A 55 ARG CB . 17968 1 645 . 1 1 57 57 ARG CG C 13 26.93 0.30 . 1 . . . A 55 ARG CG . 17968 1 646 . 1 1 57 57 ARG CD C 13 43.23 0.30 . 1 . . . A 55 ARG CD . 17968 1 647 . 1 1 57 57 ARG N N 15 123.81 0.30 . 1 . . . A 55 ARG N . 17968 1 648 . 1 1 58 58 ASP H H 1 9.63 0.02 . 1 . . . A 56 ASP H . 17968 1 649 . 1 1 58 58 ASP HA H 1 4.30 0.02 . 1 . . . A 56 ASP HA . 17968 1 650 . 1 1 58 58 ASP HB2 H 1 2.95 0.02 . 2 . . . A 56 ASP HB2 . 17968 1 651 . 1 1 58 58 ASP HB3 H 1 2.75 0.02 . 2 . . . A 56 ASP HB3 . 17968 1 652 . 1 1 58 58 ASP CA C 13 55.73 0.30 . 1 . . . A 56 ASP CA . 17968 1 653 . 1 1 58 58 ASP CB C 13 40.13 0.30 . 1 . . . A 56 ASP CB . 17968 1 654 . 1 1 58 58 ASP N N 15 129.11 0.30 . 1 . . . A 56 ASP N . 17968 1 655 . 1 1 59 59 GLY H H 1 8.71 0.02 . 1 . . . A 57 GLY H . 17968 1 656 . 1 1 59 59 GLY HA2 H 1 4.18 0.02 . 2 . . . A 57 GLY HA2 . 17968 1 657 . 1 1 59 59 GLY HA3 H 1 3.54 0.02 . 2 . . . A 57 GLY HA3 . 17968 1 658 . 1 1 59 59 GLY CA C 13 45.63 0.30 . 1 . . . A 57 GLY CA . 17968 1 659 . 1 1 59 59 GLY N N 15 104.51 0.30 . 1 . . . A 57 GLY N . 17968 1 660 . 1 1 60 60 ASN H H 1 8.13 0.02 . 1 . . . A 58 ASN H . 17968 1 661 . 1 1 60 60 ASN HA H 1 5.38 0.02 . 1 . . . A 58 ASN HA . 17968 1 662 . 1 1 60 60 ASN HB2 H 1 2.78 0.02 . 2 . . . A 58 ASN HB2 . 17968 1 663 . 1 1 60 60 ASN HB3 H 1 2.65 0.02 . 2 . . . A 58 ASN HB3 . 17968 1 664 . 1 1 60 60 ASN HD21 H 1 7.18 0.02 . 1 . . . A 58 ASN HD21 . 17968 1 665 . 1 1 60 60 ASN HD22 H 1 6.96 0.02 . 1 . . . A 58 ASN HD22 . 17968 1 666 . 1 1 60 60 ASN CA C 13 50.33 0.30 . 1 . . . A 58 ASN CA . 17968 1 667 . 1 1 60 60 ASN CB C 13 40.43 0.30 . 1 . . . A 58 ASN CB . 17968 1 668 . 1 1 60 60 ASN N N 15 122.11 0.30 . 1 . . . A 58 ASN N . 17968 1 669 . 1 1 60 60 ASN ND2 N 15 116.41 0.30 . 1 . . . A 58 ASN ND2 . 17968 1 670 . 1 1 61 61 PRO HA H 1 3.77 0.02 . 1 . . . A 59 PRO HA . 17968 1 671 . 1 1 61 61 PRO HB2 H 1 1.56 0.02 . 2 . . . A 59 PRO HB2 . 17968 1 672 . 1 1 61 61 PRO HB3 H 1 1.16 0.02 . 2 . . . A 59 PRO HB3 . 17968 1 673 . 1 1 61 61 PRO HG2 H 1 1.56 0.02 . 2 . . . A 59 PRO HG2 . 17968 1 674 . 1 1 61 61 PRO HG3 H 1 1.89 0.02 . 2 . . . A 59 PRO HG3 . 17968 1 675 . 1 1 61 61 PRO HD2 H 1 3.79 0.02 . 2 . . . A 59 PRO HD2 . 17968 1 676 . 1 1 61 61 PRO HD3 H 1 3.75 0.02 . 2 . . . A 59 PRO HD3 . 17968 1 677 . 1 1 61 61 PRO CA C 13 62.03 0.30 . 1 . . . A 59 PRO CA . 17968 1 678 . 1 1 61 61 PRO CB C 13 33.43 0.30 . 1 . . . A 59 PRO CB . 17968 1 679 . 1 1 61 61 PRO CG C 13 26.43 0.30 . 1 . . . A 59 PRO CG . 17968 1 680 . 1 1 61 61 PRO CD C 13 50.63 0.30 . 1 . . . A 59 PRO CD . 17968 1 681 . 1 1 62 62 TYR H H 1 8.58 0.02 . 1 . . . A 60 TYR H . 17968 1 682 . 1 1 62 62 TYR HA H 1 4.35 0.02 . 1 . . . A 60 TYR HA . 17968 1 683 . 1 1 62 62 TYR HB2 H 1 3.10 0.02 . 2 . . . A 60 TYR HB2 . 17968 1 684 . 1 1 62 62 TYR HB3 H 1 2.51 0.02 . 2 . . . A 60 TYR HB3 . 17968 1 685 . 1 1 62 62 TYR HD2 H 1 6.89 0.02 . 1 . . . A 60 TYR HD2 . 17968 1 686 . 1 1 62 62 TYR HE2 H 1 6.83 0.02 . 1 . . . A 60 TYR HE2 . 17968 1 687 . 1 1 62 62 TYR CA C 13 58.13 0.30 . 1 . . . A 60 TYR CA . 17968 1 688 . 1 1 62 62 TYR CB C 13 43.43 0.30 . 1 . . . A 60 TYR CB . 17968 1 689 . 1 1 62 62 TYR N N 15 119.91 0.30 . 1 . . . A 60 TYR N . 17968 1 690 . 1 1 63 63 ALA H H 1 7.98 0.02 . 1 . . . A 61 ALA H . 17968 1 691 . 1 1 63 63 ALA HA H 1 4.38 0.02 . 1 . . . A 61 ALA HA . 17968 1 692 . 1 1 63 63 ALA HB1 H 1 0.12 0.02 . 1 . . . A 61 ALA HB1 . 17968 1 693 . 1 1 63 63 ALA HB2 H 1 0.12 0.02 . 1 . . . A 61 ALA HB2 . 17968 1 694 . 1 1 63 63 ALA HB3 H 1 0.12 0.02 . 1 . . . A 61 ALA HB3 . 17968 1 695 . 1 1 63 63 ALA CA C 13 49.33 0.30 . 1 . . . A 61 ALA CA . 17968 1 696 . 1 1 63 63 ALA CB C 13 20.23 0.30 . 1 . . . A 61 ALA CB . 17968 1 697 . 1 1 63 63 ALA N N 15 123.71 0.30 . 1 . . . A 61 ALA N . 17968 1 698 . 1 1 64 64 VAL H H 1 6.33 0.02 . 1 . . . A 62 VAL H . 17968 1 699 . 1 1 64 64 VAL HA H 1 5.48 0.02 . 1 . . . A 62 VAL HA . 17968 1 700 . 1 1 64 64 VAL HB H 1 2.02 0.02 . 1 . . . A 62 VAL HB . 17968 1 701 . 1 1 64 64 VAL HG11 H 1 1.33 0.02 . 1 . . . A 62 VAL HG11 . 17968 1 702 . 1 1 64 64 VAL HG12 H 1 1.33 0.02 . 1 . . . A 62 VAL HG12 . 17968 1 703 . 1 1 64 64 VAL HG13 H 1 1.33 0.02 . 1 . . . A 62 VAL HG13 . 17968 1 704 . 1 1 64 64 VAL HG21 H 1 1.11 0.02 . 1 . . . A 62 VAL HG21 . 17968 1 705 . 1 1 64 64 VAL HG22 H 1 1.11 0.02 . 1 . . . A 62 VAL HG22 . 17968 1 706 . 1 1 64 64 VAL HG23 H 1 1.11 0.02 . 1 . . . A 62 VAL HG23 . 17968 1 707 . 1 1 64 64 VAL CA C 13 61.33 0.30 . 1 . . . A 62 VAL CA . 17968 1 708 . 1 1 64 64 VAL CB C 13 36.23 0.30 . 1 . . . A 62 VAL CB . 17968 1 709 . 1 1 64 64 VAL CG1 C 13 22.53 0.30 . 1 . . . A 62 VAL CG1 . 17968 1 710 . 1 1 64 64 VAL CG2 C 13 21.73 0.30 . 1 . . . A 62 VAL CG2 . 17968 1 711 . 1 1 64 64 VAL N N 15 120.61 0.30 . 1 . . . A 62 VAL N . 17968 1 712 . 1 1 65 65 CYS H H 1 9.42 0.02 . 1 . . . A 63 CYS H . 17968 1 713 . 1 1 65 65 CYS HA H 1 4.56 0.02 . 1 . . . A 63 CYS HA . 17968 1 714 . 1 1 65 65 CYS HB2 H 1 3.78 0.02 . 2 . . . A 63 CYS HB2 . 17968 1 715 . 1 1 65 65 CYS HB3 H 1 2.63 0.02 . 2 . . . A 63 CYS HB3 . 17968 1 716 . 1 1 65 65 CYS CA C 13 58.43 0.30 . 1 . . . A 63 CYS CA . 17968 1 717 . 1 1 65 65 CYS CB C 13 31.03 0.30 . 1 . . . A 63 CYS CB . 17968 1 718 . 1 1 65 65 CYS N N 15 130.31 0.30 . 1 . . . A 63 CYS N . 17968 1 719 . 1 1 66 66 ASP H H 1 9.04 0.02 . 1 . . . A 64 ASP H . 17968 1 720 . 1 1 66 66 ASP HA H 1 4.41 0.02 . 1 . . . A 64 ASP HA . 17968 1 721 . 1 1 66 66 ASP HB2 H 1 2.96 0.02 . 2 . . . A 64 ASP HB2 . 17968 1 722 . 1 1 66 66 ASP HB3 H 1 2.64 0.02 . 2 . . . A 64 ASP HB3 . 17968 1 723 . 1 1 66 66 ASP CA C 13 58.43 0.30 . 1 . . . A 64 ASP CA . 17968 1 724 . 1 1 66 66 ASP CB C 13 42.53 0.30 . 1 . . . A 64 ASP CB . 17968 1 725 . 1 1 66 66 ASP N N 15 121.11 0.30 . 1 . . . A 64 ASP N . 17968 1 726 . 1 1 67 67 LYS H H 1 8.33 0.02 . 1 . . . A 65 LYS H . 17968 1 727 . 1 1 67 67 LYS HA H 1 3.99 0.02 . 1 . . . A 65 LYS HA . 17968 1 728 . 1 1 67 67 LYS HB2 H 1 2.02 0.02 . 2 . . . A 65 LYS HB2 . 17968 1 729 . 1 1 67 67 LYS HB3 H 1 1.96 0.02 . 2 . . . A 65 LYS HB3 . 17968 1 730 . 1 1 67 67 LYS HG2 H 1 1.64 0.02 . 2 . . . A 65 LYS HG2 . 17968 1 731 . 1 1 67 67 LYS HG3 H 1 1.44 0.02 . 2 . . . A 65 LYS HG3 . 17968 1 732 . 1 1 67 67 LYS HD2 H 1 1.69 0.02 . 1 . . . A 65 LYS HD2 . 17968 1 733 . 1 1 67 67 LYS HE2 H 1 3.00 0.02 . 1 . . . A 65 LYS HE2 . 17968 1 734 . 1 1 67 67 LYS CA C 13 60.13 0.30 . 1 . . . A 65 LYS CA . 17968 1 735 . 1 1 67 67 LYS CB C 13 32.83 0.30 . 1 . . . A 65 LYS CB . 17968 1 736 . 1 1 67 67 LYS CG C 13 25.43 0.30 . 1 . . . A 65 LYS CG . 17968 1 737 . 1 1 67 67 LYS CD C 13 29.43 0.30 . 1 . . . A 65 LYS CD . 17968 1 738 . 1 1 67 67 LYS CE C 13 42.23 0.30 . 1 . . . A 65 LYS CE . 17968 1 739 . 1 1 67 67 LYS N N 15 121.91 0.30 . 1 . . . A 65 LYS N . 17968 1 740 . 1 1 68 68 CYS H H 1 8.69 0.02 . 1 . . . A 66 CYS H . 17968 1 741 . 1 1 68 68 CYS HA H 1 4.11 0.02 . 1 . . . A 66 CYS HA . 17968 1 742 . 1 1 68 68 CYS HB2 H 1 3.19 0.02 . 2 . . . A 66 CYS HB2 . 17968 1 743 . 1 1 68 68 CYS HB3 H 1 3.09 0.02 . 2 . . . A 66 CYS HB3 . 17968 1 744 . 1 1 68 68 CYS CA C 13 63.73 0.30 . 1 . . . A 66 CYS CA . 17968 1 745 . 1 1 68 68 CYS CB C 13 30.63 0.30 . 1 . . . A 66 CYS CB . 17968 1 746 . 1 1 68 68 CYS N N 15 125.51 0.30 . 1 . . . A 66 CYS N . 17968 1 747 . 1 1 69 69 LEU H H 1 8.46 0.02 . 1 . . . A 67 LEU H . 17968 1 748 . 1 1 69 69 LEU HA H 1 4.03 0.02 . 1 . . . A 67 LEU HA . 17968 1 749 . 1 1 69 69 LEU HB2 H 1 1.93 0.02 . 2 . . . A 67 LEU HB2 . 17968 1 750 . 1 1 69 69 LEU HB3 H 1 1.59 0.02 . 2 . . . A 67 LEU HB3 . 17968 1 751 . 1 1 69 69 LEU HG H 1 1.74 0.02 . 1 . . . A 67 LEU HG . 17968 1 752 . 1 1 69 69 LEU HD11 H 1 0.87 0.02 . 1 . . . A 67 LEU HD11 . 17968 1 753 . 1 1 69 69 LEU HD12 H 1 0.87 0.02 . 1 . . . A 67 LEU HD12 . 17968 1 754 . 1 1 69 69 LEU HD13 H 1 0.87 0.02 . 1 . . . A 67 LEU HD13 . 17968 1 755 . 1 1 69 69 LEU HD21 H 1 0.81 0.02 . 1 . . . A 67 LEU HD21 . 17968 1 756 . 1 1 69 69 LEU HD22 H 1 0.81 0.02 . 1 . . . A 67 LEU HD22 . 17968 1 757 . 1 1 69 69 LEU HD23 H 1 0.81 0.02 . 1 . . . A 67 LEU HD23 . 17968 1 758 . 1 1 69 69 LEU CA C 13 58.63 0.30 . 1 . . . A 67 LEU CA . 17968 1 759 . 1 1 69 69 LEU CB C 13 42.23 0.30 . 1 . . . A 67 LEU CB . 17968 1 760 . 1 1 69 69 LEU CG C 13 27.03 0.30 . 1 . . . A 67 LEU CG . 17968 1 761 . 1 1 69 69 LEU CD1 C 13 25.13 0.30 . 1 . . . A 67 LEU CD1 . 17968 1 762 . 1 1 69 69 LEU CD2 C 13 24.53 0.30 . 1 . . . A 67 LEU CD2 . 17968 1 763 . 1 1 69 69 LEU N N 15 125.11 0.30 . 1 . . . A 67 LEU N . 17968 1 764 . 1 1 70 70 LYS H H 1 7.83 0.02 . 1 . . . A 68 LYS H . 17968 1 765 . 1 1 70 70 LYS HA H 1 3.98 0.02 . 1 . . . A 68 LYS HA . 17968 1 766 . 1 1 70 70 LYS HB3 H 1 1.72 0.02 . 1 . . . A 68 LYS HB3 . 17968 1 767 . 1 1 70 70 LYS HG2 H 1 1.19 0.02 . 1 . . . A 68 LYS HG2 . 17968 1 768 . 1 1 70 70 LYS HD2 H 1 1.53 0.02 . 1 . . . A 68 LYS HD2 . 17968 1 769 . 1 1 70 70 LYS HE2 H 1 2.85 0.02 . 1 . . . A 68 LYS HE2 . 17968 1 770 . 1 1 70 70 LYS CA C 13 59.03 0.30 . 1 . . . A 68 LYS CA . 17968 1 771 . 1 1 70 70 LYS CB C 13 32.23 0.30 . 1 . . . A 68 LYS CB . 17968 1 772 . 1 1 70 70 LYS CG C 13 25.13 0.30 . 1 . . . A 68 LYS CG . 17968 1 773 . 1 1 70 70 LYS CD C 13 29.23 0.30 . 1 . . . A 68 LYS CD . 17968 1 774 . 1 1 70 70 LYS CE C 13 42.23 0.30 . 1 . . . A 68 LYS CE . 17968 1 775 . 1 1 70 70 LYS N N 15 119.21 0.30 . 1 . . . A 68 LYS N . 17968 1 776 . 1 1 71 71 PHE H H 1 7.81 0.02 . 1 . . . A 69 PHE H . 17968 1 777 . 1 1 71 71 PHE HA H 1 4.27 0.02 . 1 . . . A 69 PHE HA . 17968 1 778 . 1 1 71 71 PHE HB2 H 1 2.75 0.02 . 2 . . . A 69 PHE HB2 . 17968 1 779 . 1 1 71 71 PHE HB3 H 1 2.73 0.02 . 2 . . . A 69 PHE HB3 . 17968 1 780 . 1 1 71 71 PHE HD1 H 1 6.56 0.02 . 1 . . . A 69 PHE HD1 . 17968 1 781 . 1 1 71 71 PHE HE1 H 1 7.10 0.02 . 1 . . . A 69 PHE HE1 . 17968 1 782 . 1 1 71 71 PHE HZ H 1 7.14 0.02 . 1 . . . A 69 PHE HZ . 17968 1 783 . 1 1 71 71 PHE CA C 13 60.13 0.30 . 1 . . . A 69 PHE CA . 17968 1 784 . 1 1 71 71 PHE CB C 13 39.43 0.30 . 1 . . . A 69 PHE CB . 17968 1 785 . 1 1 71 71 PHE N N 15 121.71 0.30 . 1 . . . A 69 PHE N . 17968 1 786 . 1 1 72 72 TYR H H 1 8.27 0.02 . 1 . . . A 70 TYR H . 17968 1 787 . 1 1 72 72 TYR HA H 1 4.28 0.02 . 1 . . . A 70 TYR HA . 17968 1 788 . 1 1 72 72 TYR HB2 H 1 3.10 0.02 . 2 . . . A 70 TYR HB2 . 17968 1 789 . 1 1 72 72 TYR HB3 H 1 2.76 0.02 . 2 . . . A 70 TYR HB3 . 17968 1 790 . 1 1 72 72 TYR HD2 H 1 6.99 0.02 . 1 . . . A 70 TYR HD2 . 17968 1 791 . 1 1 72 72 TYR HE2 H 1 6.63 0.02 . 1 . . . A 70 TYR HE2 . 17968 1 792 . 1 1 72 72 TYR CA C 13 60.13 0.30 . 1 . . . A 70 TYR CA . 17968 1 793 . 1 1 72 72 TYR CB C 13 40.43 0.30 . 1 . . . A 70 TYR CB . 17968 1 794 . 1 1 72 72 TYR N N 15 120.11 0.30 . 1 . . . A 70 TYR N . 17968 1 795 . 1 1 73 73 SER H H 1 7.88 0.02 . 1 . . . . 71 SER H . 17968 1 796 . 1 1 73 73 SER HA H 1 4.32 0.02 . 1 . . . . 71 SER HA . 17968 1 797 . 1 1 73 73 SER HB2 H 1 3.94 0.02 . 1 . . . . 71 SER HB2 . 17968 1 798 . 1 1 73 73 SER CA C 13 60.13 0.30 . 1 . . . . 71 SER CA . 17968 1 799 . 1 1 73 73 SER CB C 13 63.63 0.30 . 1 . . . . 71 SER CB . 17968 1 800 . 1 1 73 73 SER N N 15 117.21 0.30 . 1 . . . . 71 SER N . 17968 1 801 . 1 1 74 74 LYS H H 1 7.80 0.02 . 1 . . . . 72 LYS H . 17968 1 802 . 1 1 74 74 LYS HA H 1 4.26 0.02 . 1 . . . . 72 LYS HA . 17968 1 803 . 1 1 74 74 LYS HB2 H 1 1.86 0.02 . 2 . . . . 72 LYS HB2 . 17968 1 804 . 1 1 74 74 LYS HB3 H 1 1.75 0.02 . 2 . . . . 72 LYS HB3 . 17968 1 805 . 1 1 74 74 LYS HG2 H 1 1.42 0.02 . 2 . . . . 72 LYS HG2 . 17968 1 806 . 1 1 74 74 LYS HG3 H 1 1.36 0.02 . 2 . . . . 72 LYS HG3 . 17968 1 807 . 1 1 74 74 LYS HD2 H 1 1.61 0.02 . 1 . . . . 72 LYS HD2 . 17968 1 808 . 1 1 74 74 LYS HE2 H 1 2.92 0.02 . 1 . . . . 72 LYS HE2 . 17968 1 809 . 1 1 74 74 LYS CA C 13 56.93 0.30 . 1 . . . . 72 LYS CA . 17968 1 810 . 1 1 74 74 LYS CB C 13 32.63 0.30 . 1 . . . . 72 LYS CB . 17968 1 811 . 1 1 74 74 LYS CG C 13 24.93 0.30 . 1 . . . . 72 LYS CG . 17968 1 812 . 1 1 74 74 LYS CD C 13 29.13 0.30 . 1 . . . . 72 LYS CD . 17968 1 813 . 1 1 74 74 LYS CE C 13 42.33 0.30 . 1 . . . . 72 LYS CE . 17968 1 814 . 1 1 74 74 LYS N N 15 122.81 0.30 . 1 . . . . 72 LYS N . 17968 1 815 . 1 1 75 75 ILE H H 1 7.76 0.02 . 1 . . . . 73 ILE H . 17968 1 816 . 1 1 75 75 ILE HA H 1 4.10 0.02 . 1 . . . . 73 ILE HA . 17968 1 817 . 1 1 75 75 ILE HB H 1 1.88 0.02 . 1 . . . . 73 ILE HB . 17968 1 818 . 1 1 75 75 ILE HG12 H 1 1.40 0.02 . 2 . . . . 73 ILE HG12 . 17968 1 819 . 1 1 75 75 ILE HG13 H 1 1.12 0.02 . 2 . . . . 73 ILE HG13 . 17968 1 820 . 1 1 75 75 ILE HG21 H 1 0.85 0.02 . 1 . . . . 73 ILE HG2 . 17968 1 821 . 1 1 75 75 ILE HG22 H 1 0.85 0.02 . 1 . . . . 73 ILE HG2 . 17968 1 822 . 1 1 75 75 ILE HG23 H 1 0.85 0.02 . 1 . . . . 73 ILE HG2 . 17968 1 823 . 1 1 75 75 ILE HD11 H 1 0.77 0.02 . 1 . . . . 73 ILE HD1 . 17968 1 824 . 1 1 75 75 ILE HD12 H 1 0.77 0.02 . 1 . . . . 73 ILE HD1 . 17968 1 825 . 1 1 75 75 ILE HD13 H 1 0.77 0.02 . 1 . . . . 73 ILE HD1 . 17968 1 826 . 1 1 75 75 ILE CA C 13 61.93 0.30 . 1 . . . . 73 ILE CA . 17968 1 827 . 1 1 75 75 ILE CB C 13 38.63 0.30 . 1 . . . . 73 ILE CB . 17968 1 828 . 1 1 75 75 ILE CG1 C 13 27.63 0.30 . 1 . . . . 73 ILE CG1 . 17968 1 829 . 1 1 75 75 ILE CG2 C 13 17.83 0.30 . 1 . . . . 73 ILE CG2 . 17968 1 830 . 1 1 75 75 ILE CD1 C 13 13.43 0.30 . 1 . . . . 73 ILE CD1 . 17968 1 831 . 1 1 75 75 ILE N N 15 121.61 0.30 . 1 . . . . 73 ILE N . 17968 1 832 . 1 1 76 76 SER H H 1 8.16 0.02 . 1 . . . . 74 SER H . 17968 1 833 . 1 1 76 76 SER HA H 1 4.30 0.02 . 1 . . . . 74 SER HA . 17968 1 834 . 1 1 76 76 SER HB2 H 1 3.85 0.02 . 2 . . . . 74 SER HB2 . 17968 1 835 . 1 1 76 76 SER HB3 H 1 3.77 0.02 . 2 . . . . 74 SER HB3 . 17968 1 836 . 1 1 76 76 SER CA C 13 59.33 0.30 . 1 . . . . 74 SER CA . 17968 1 837 . 1 1 76 76 SER CB C 13 63.93 0.30 . 1 . . . . 74 SER CB . 17968 1 838 . 1 1 76 76 SER N N 15 120.31 0.30 . 1 . . . . 74 SER N . 17968 1 839 . 1 1 77 77 GLU H H 1 8.25 0.02 . 1 . . . . 75 GLU H . 17968 1 840 . 1 1 77 77 GLU HA H 1 4.18 0.02 . 1 . . . . 75 GLU HA . 17968 1 841 . 1 1 77 77 GLU HB2 H 1 1.94 0.02 . 2 . . . . 75 GLU HB2 . 17968 1 842 . 1 1 77 77 GLU HB3 H 1 1.87 0.02 . 2 . . . . 75 GLU HB3 . 17968 1 843 . 1 1 77 77 GLU HG2 H 1 2.13 0.02 . 2 . . . . 75 GLU HG2 . 17968 1 844 . 1 1 77 77 GLU HG3 H 1 2.16 0.02 . 2 . . . . 75 GLU HG3 . 17968 1 845 . 1 1 77 77 GLU CA C 13 57.33 0.30 . 1 . . . . 75 GLU CA . 17968 1 846 . 1 1 77 77 GLU CB C 13 30.13 0.30 . 1 . . . . 75 GLU CB . 17968 1 847 . 1 1 77 77 GLU CG C 13 36.43 0.30 . 1 . . . . 75 GLU CG . 17968 1 848 . 1 1 77 77 GLU N N 15 123.81 0.30 . 1 . . . . 75 GLU N . 17968 1 849 . 1 1 78 78 TYR H H 1 8.00 0.02 . 1 . . . . 76 TYR H . 17968 1 850 . 1 1 78 78 TYR HA H 1 4.46 0.02 . 1 . . . . 76 TYR HA . 17968 1 851 . 1 1 78 78 TYR HB2 H 1 2.95 0.02 . 2 . . . . 76 TYR HB2 . 17968 1 852 . 1 1 78 78 TYR HB3 H 1 2.92 0.02 . 2 . . . . 76 TYR HB3 . 17968 1 853 . 1 1 78 78 TYR HD1 H 1 7.00 0.02 . 1 . . . . 76 TYR HD1 . 17968 1 854 . 1 1 78 78 TYR HE1 H 1 6.74 0.02 . 1 . . . . 76 TYR HE1 . 17968 1 855 . 1 1 78 78 TYR CA C 13 58.13 0.30 . 1 . . . . 76 TYR CA . 17968 1 856 . 1 1 78 78 TYR CB C 13 38.73 0.30 . 1 . . . . 76 TYR CB . 17968 1 857 . 1 1 78 78 TYR N N 15 122.31 0.30 . 1 . . . . 76 TYR N . 17968 1 858 . 1 1 79 79 ARG H H 1 7.90 0.02 . 1 . . . . 77 ARG H . 17968 1 859 . 1 1 79 79 ARG HA H 1 4.19 0.02 . 1 . . . . 77 ARG HA . 17968 1 860 . 1 1 79 79 ARG HB3 H 1 1.59 0.02 . 1 . . . . 77 ARG HB3 . 17968 1 861 . 1 1 79 79 ARG HG2 H 1 1.39 0.02 . 1 . . . . 77 ARG HG2 . 17968 1 862 . 1 1 79 79 ARG HD2 H 1 3.07 0.02 . 1 . . . . 77 ARG HD2 . 17968 1 863 . 1 1 79 79 ARG CA C 13 56.03 0.30 . 1 . . . . 77 ARG CA . 17968 1 864 . 1 1 79 79 ARG CB C 13 31.03 0.30 . 1 . . . . 77 ARG CB . 17968 1 865 . 1 1 79 79 ARG CG C 13 27.03 0.30 . 1 . . . . 77 ARG CG . 17968 1 866 . 1 1 79 79 ARG CD C 13 43.43 0.30 . 1 . . . . 77 ARG CD . 17968 1 867 . 1 1 79 79 ARG N N 15 124.51 0.30 . 1 . . . . 77 ARG N . 17968 1 868 . 1 1 80 80 HIS H H 1 8.13 0.02 . 1 . . . . 78 HIS H . 17968 1 869 . 1 1 80 80 HIS HA H 1 4.51 0.02 . 1 . . . . 78 HIS HA . 17968 1 870 . 1 1 80 80 HIS HB2 H 1 3.01 0.02 . 2 . . . . 78 HIS HB2 . 17968 1 871 . 1 1 80 80 HIS HB3 H 1 2.94 0.02 . 2 . . . . 78 HIS HB3 . 17968 1 872 . 1 1 80 80 HIS HD2 H 1 6.95 0.02 . 1 . . . . 78 HIS HD2 . 17968 1 873 . 1 1 80 80 HIS HE1 H 1 7.91 0.02 . 1 . . . . 78 HIS HE1 . 17968 1 874 . 1 1 80 80 HIS CA C 13 56.33 0.30 . 1 . . . . 78 HIS CA . 17968 1 875 . 1 1 80 80 HIS CB C 13 30.73 0.30 . 1 . . . . 78 HIS CB . 17968 1 876 . 1 1 80 80 HIS N N 15 122.11 0.30 . 1 . . . . 78 HIS N . 17968 1 877 . 1 1 81 81 TYR H H 1 8.01 0.02 . 1 . . . . 79 TYR H . 17968 1 878 . 1 1 81 81 TYR HA H 1 4.58 0.02 . 1 . . . . 79 TYR HA . 17968 1 879 . 1 1 81 81 TYR HB2 H 1 3.07 0.02 . 2 . . . . 79 TYR HB2 . 17968 1 880 . 1 1 81 81 TYR HB3 H 1 2.87 0.02 . 2 . . . . 79 TYR HB3 . 17968 1 881 . 1 1 81 81 TYR HD1 H 1 7.06 0.02 . 1 . . . . 79 TYR HD1 . 17968 1 882 . 1 1 81 81 TYR HE1 H 1 6.77 0.02 . 1 . . . . 79 TYR HE1 . 17968 1 883 . 1 1 81 81 TYR CA C 13 57.93 0.30 . 1 . . . . 79 TYR CA . 17968 1 884 . 1 1 81 81 TYR CB C 13 39.13 0.30 . 1 . . . . 79 TYR CB . 17968 1 885 . 1 1 81 81 TYR N N 15 123.61 0.30 . 1 . . . . 79 TYR N . 17968 1 886 . 1 1 82 82 SER H H 1 7.84 0.02 . 1 . . . . 80 SER H . 17968 1 887 . 1 1 82 82 SER HA H 1 4.19 0.02 . 1 . . . . 80 SER HA . 17968 1 888 . 1 1 82 82 SER HB2 H 1 3.80 0.02 . 1 . . . . 80 SER HB2 . 17968 1 889 . 1 1 82 82 SER CA C 13 60.23 0.30 . 1 . . . . 80 SER CA . 17968 1 890 . 1 1 82 82 SER CB C 13 65.13 0.30 . 1 . . . . 80 SER CB . 17968 1 891 . 1 1 82 82 SER N N 15 124.41 0.30 . 1 . . . . 80 SER N . 17968 1 stop_ save_