data_19699 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19699 _Entry.Title ; Structure of the m04/gp34 mouse Cytomegalovirus Immunoevasin core domain ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2013-12-21 _Entry.Accession_date 2013-12-21 _Entry.Last_release_date 2014-01-03 _Entry.Original_release_date 2014-01-03 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Nikolaos Sgourakis . G. . . 19699 2 Kannan Natarajan . . . . 19699 3 David Margulies . H. . . 19699 4 Ad Bax . . . . 19699 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' . 19699 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'ILV labelling' . 19699 'Immunoglobulin-like fold' . 19699 'MHC class-I regulation' . 19699 'Natural Killer decoy' . 19699 'Residual Dipolar Couplings' . 19699 'Rosetta modelling' . 19699 missing-self . 19699 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19699 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 411 19699 '15N chemical shifts' 143 19699 '1H chemical shifts' 143 19699 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2014-07-14 . original BMRB . 19699 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2MIZ 'BMRB Entry Tracking System' 19699 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 19699 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; The murine Cytomegalovirus gp34/m04 protein contains a core domain with novel structure revealed by solution NMR ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Not known' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Nikolaos Sgourakis . G. . . 19699 1 2 Kannan Natarajan . . . . 19699 1 3 David Margulies . H. . . 19699 1 4 Ad Bax . . . . 19699 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19699 _Assembly.ID 1 _Assembly.Name 'm04/gp34 mouse Cytomegalovirus Immunoevasin core domain' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 gp34/m04 1 $gp34-m04 A . yes native no no . . . 19699 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_gp34-m04 _Entity.Sf_category entity _Entity.Sf_framecode gp34-m04 _Entity.Entry_ID 19699 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; RHSLGCYFKGINPTKVPSSD PRTVLKCTLPDVKVNASWTL EWVVVNLHTSVDVTSYYESS PNSEPRFLRAILNFTPMHGL RTKNLLKVKDGFQVDNSTDN GNGGNLYVYPNATTGSADSV RCRLRMCPWTSNSKMTAPDE EMLRKMSEVLNLPNYG ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 156 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 17494.967 _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 1 ARG . 19699 1 2 2 HIS . 19699 1 3 3 SER . 19699 1 4 4 LEU . 19699 1 5 5 GLY . 19699 1 6 6 CYS . 19699 1 7 7 TYR . 19699 1 8 8 PHE . 19699 1 9 9 LYS . 19699 1 10 10 GLY . 19699 1 11 11 ILE . 19699 1 12 12 ASN . 19699 1 13 13 PRO . 19699 1 14 14 THR . 19699 1 15 15 LYS . 19699 1 16 16 VAL . 19699 1 17 17 PRO . 19699 1 18 18 SER . 19699 1 19 19 SER . 19699 1 20 20 ASP . 19699 1 21 21 PRO . 19699 1 22 22 ARG . 19699 1 23 23 THR . 19699 1 24 24 VAL . 19699 1 25 25 LEU . 19699 1 26 26 LYS . 19699 1 27 27 CYS . 19699 1 28 28 THR . 19699 1 29 29 LEU . 19699 1 30 30 PRO . 19699 1 31 31 ASP . 19699 1 32 32 VAL . 19699 1 33 33 LYS . 19699 1 34 34 VAL . 19699 1 35 35 ASN . 19699 1 36 36 ALA . 19699 1 37 37 SER . 19699 1 38 38 TRP . 19699 1 39 39 THR . 19699 1 40 40 LEU . 19699 1 41 41 GLU . 19699 1 42 42 TRP . 19699 1 43 43 VAL . 19699 1 44 44 VAL . 19699 1 45 45 VAL . 19699 1 46 46 ASN . 19699 1 47 47 LEU . 19699 1 48 48 HIS . 19699 1 49 49 THR . 19699 1 50 50 SER . 19699 1 51 51 VAL . 19699 1 52 52 ASP . 19699 1 53 53 VAL . 19699 1 54 54 THR . 19699 1 55 55 SER . 19699 1 56 56 TYR . 19699 1 57 57 TYR . 19699 1 58 58 GLU . 19699 1 59 59 SER . 19699 1 60 60 SER . 19699 1 61 61 PRO . 19699 1 62 62 ASN . 19699 1 63 63 SER . 19699 1 64 64 GLU . 19699 1 65 65 PRO . 19699 1 66 66 ARG . 19699 1 67 67 PHE . 19699 1 68 68 LEU . 19699 1 69 69 ARG . 19699 1 70 70 ALA . 19699 1 71 71 ILE . 19699 1 72 72 LEU . 19699 1 73 73 ASN . 19699 1 74 74 PHE . 19699 1 75 75 THR . 19699 1 76 76 PRO . 19699 1 77 77 MET . 19699 1 78 78 HIS . 19699 1 79 79 GLY . 19699 1 80 80 LEU . 19699 1 81 81 ARG . 19699 1 82 82 THR . 19699 1 83 83 LYS . 19699 1 84 84 ASN . 19699 1 85 85 LEU . 19699 1 86 86 LEU . 19699 1 87 87 LYS . 19699 1 88 88 VAL . 19699 1 89 89 LYS . 19699 1 90 90 ASP . 19699 1 91 91 GLY . 19699 1 92 92 PHE . 19699 1 93 93 GLN . 19699 1 94 94 VAL . 19699 1 95 95 ASP . 19699 1 96 96 ASN . 19699 1 97 97 SER . 19699 1 98 98 THR . 19699 1 99 99 ASP . 19699 1 100 100 ASN . 19699 1 101 101 GLY . 19699 1 102 102 ASN . 19699 1 103 103 GLY . 19699 1 104 104 GLY . 19699 1 105 105 ASN . 19699 1 106 106 LEU . 19699 1 107 107 TYR . 19699 1 108 108 VAL . 19699 1 109 109 TYR . 19699 1 110 110 PRO . 19699 1 111 111 ASN . 19699 1 112 112 ALA . 19699 1 113 113 THR . 19699 1 114 114 THR . 19699 1 115 115 GLY . 19699 1 116 116 SER . 19699 1 117 117 ALA . 19699 1 118 118 ASP . 19699 1 119 119 SER . 19699 1 120 120 VAL . 19699 1 121 121 ARG . 19699 1 122 122 CYS . 19699 1 123 123 ARG . 19699 1 124 124 LEU . 19699 1 125 125 ARG . 19699 1 126 126 MET . 19699 1 127 127 CYS . 19699 1 128 128 PRO . 19699 1 129 129 TRP . 19699 1 130 130 THR . 19699 1 131 131 SER . 19699 1 132 132 ASN . 19699 1 133 133 SER . 19699 1 134 134 LYS . 19699 1 135 135 MET . 19699 1 136 136 THR . 19699 1 137 137 ALA . 19699 1 138 138 PRO . 19699 1 139 139 ASP . 19699 1 140 140 GLU . 19699 1 141 141 GLU . 19699 1 142 142 MET . 19699 1 143 143 LEU . 19699 1 144 144 ARG . 19699 1 145 145 LYS . 19699 1 146 146 MET . 19699 1 147 147 SER . 19699 1 148 148 GLU . 19699 1 149 149 VAL . 19699 1 150 150 LEU . 19699 1 151 151 ASN . 19699 1 152 152 LEU . 19699 1 153 153 PRO . 19699 1 154 154 ASN . 19699 1 155 155 TYR . 19699 1 156 156 GLY . 19699 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 . ARG 1 1 19699 1 . HIS 2 2 19699 1 . SER 3 3 19699 1 . LEU 4 4 19699 1 . GLY 5 5 19699 1 . CYS 6 6 19699 1 . TYR 7 7 19699 1 . PHE 8 8 19699 1 . LYS 9 9 19699 1 . GLY 10 10 19699 1 . ILE 11 11 19699 1 . ASN 12 12 19699 1 . PRO 13 13 19699 1 . THR 14 14 19699 1 . LYS 15 15 19699 1 . VAL 16 16 19699 1 . PRO 17 17 19699 1 . SER 18 18 19699 1 . SER 19 19 19699 1 . ASP 20 20 19699 1 . PRO 21 21 19699 1 . ARG 22 22 19699 1 . THR 23 23 19699 1 . VAL 24 24 19699 1 . LEU 25 25 19699 1 . LYS 26 26 19699 1 . CYS 27 27 19699 1 . THR 28 28 19699 1 . LEU 29 29 19699 1 . PRO 30 30 19699 1 . ASP 31 31 19699 1 . VAL 32 32 19699 1 . LYS 33 33 19699 1 . VAL 34 34 19699 1 . ASN 35 35 19699 1 . ALA 36 36 19699 1 . SER 37 37 19699 1 . TRP 38 38 19699 1 . THR 39 39 19699 1 . LEU 40 40 19699 1 . GLU 41 41 19699 1 . TRP 42 42 19699 1 . VAL 43 43 19699 1 . VAL 44 44 19699 1 . VAL 45 45 19699 1 . ASN 46 46 19699 1 . LEU 47 47 19699 1 . HIS 48 48 19699 1 . THR 49 49 19699 1 . SER 50 50 19699 1 . VAL 51 51 19699 1 . ASP 52 52 19699 1 . VAL 53 53 19699 1 . THR 54 54 19699 1 . SER 55 55 19699 1 . TYR 56 56 19699 1 . TYR 57 57 19699 1 . GLU 58 58 19699 1 . SER 59 59 19699 1 . SER 60 60 19699 1 . PRO 61 61 19699 1 . ASN 62 62 19699 1 . SER 63 63 19699 1 . GLU 64 64 19699 1 . PRO 65 65 19699 1 . ARG 66 66 19699 1 . PHE 67 67 19699 1 . LEU 68 68 19699 1 . ARG 69 69 19699 1 . ALA 70 70 19699 1 . ILE 71 71 19699 1 . LEU 72 72 19699 1 . ASN 73 73 19699 1 . PHE 74 74 19699 1 . THR 75 75 19699 1 . PRO 76 76 19699 1 . MET 77 77 19699 1 . HIS 78 78 19699 1 . GLY 79 79 19699 1 . LEU 80 80 19699 1 . ARG 81 81 19699 1 . THR 82 82 19699 1 . LYS 83 83 19699 1 . ASN 84 84 19699 1 . LEU 85 85 19699 1 . LEU 86 86 19699 1 . LYS 87 87 19699 1 . VAL 88 88 19699 1 . LYS 89 89 19699 1 . ASP 90 90 19699 1 . GLY 91 91 19699 1 . PHE 92 92 19699 1 . GLN 93 93 19699 1 . VAL 94 94 19699 1 . ASP 95 95 19699 1 . ASN 96 96 19699 1 . SER 97 97 19699 1 . THR 98 98 19699 1 . ASP 99 99 19699 1 . ASN 100 100 19699 1 . GLY 101 101 19699 1 . ASN 102 102 19699 1 . GLY 103 103 19699 1 . GLY 104 104 19699 1 . ASN 105 105 19699 1 . LEU 106 106 19699 1 . TYR 107 107 19699 1 . VAL 108 108 19699 1 . TYR 109 109 19699 1 . PRO 110 110 19699 1 . ASN 111 111 19699 1 . ALA 112 112 19699 1 . THR 113 113 19699 1 . THR 114 114 19699 1 . GLY 115 115 19699 1 . SER 116 116 19699 1 . ALA 117 117 19699 1 . ASP 118 118 19699 1 . SER 119 119 19699 1 . VAL 120 120 19699 1 . ARG 121 121 19699 1 . CYS 122 122 19699 1 . ARG 123 123 19699 1 . LEU 124 124 19699 1 . ARG 125 125 19699 1 . MET 126 126 19699 1 . CYS 127 127 19699 1 . PRO 128 128 19699 1 . TRP 129 129 19699 1 . THR 130 130 19699 1 . SER 131 131 19699 1 . ASN 132 132 19699 1 . SER 133 133 19699 1 . LYS 134 134 19699 1 . MET 135 135 19699 1 . THR 136 136 19699 1 . ALA 137 137 19699 1 . PRO 138 138 19699 1 . ASP 139 139 19699 1 . GLU 140 140 19699 1 . GLU 141 141 19699 1 . MET 142 142 19699 1 . LEU 143 143 19699 1 . ARG 144 144 19699 1 . LYS 145 145 19699 1 . MET 146 146 19699 1 . SER 147 147 19699 1 . GLU 148 148 19699 1 . VAL 149 149 19699 1 . LEU 150 150 19699 1 . ASN 151 151 19699 1 . LEU 152 152 19699 1 . PRO 153 153 19699 1 . ASN 154 154 19699 1 . TYR 155 155 19699 1 . GLY 156 156 19699 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 19699 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $gp34-m04 . 12138 virus . 'Maize chlorotic mottle virus' 'Maize chlorotic mottle virus' . . Virus . Machlomovirus 'Maize chlorotic mottle virus' . . . . . . . . . . . . . 19699 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 19699 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $gp34-m04 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . plasmid . . . 19699 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_3D _Sample.Sf_category sample _Sample.Sf_framecode 3D _Sample.Entry_ID 19699 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'sodium phosphate' 'natural abundance' . . . . . . 20mM . . mM . . . . 19699 1 2 D2O '[U-99% 2H]' . . . . . . 5 . . % . . . . 19699 1 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 19699 1 4 gp34/m04 '[U-13C; U-15N; U-2H]' . . 1 $gp34-m04 . . . 0.2 0.5 mM . . . . 19699 1 5 H2O 'natural abundance' . . . . . . 95 . . . . . . . 19699 1 stop_ save_ save_ILV_CC _Sample.Sf_category sample _Sample.Sf_framecode ILV_CC _Sample.Entry_ID 19699 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'sodium phosphate' 'natural abundance' . . . . . . 20mM . . mM . . . . 19699 2 2 D2O '[U-99% 2H]' . . . . . . 5 . . % . . . . 19699 2 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 19699 2 4 gp34/m04 '[U-13C; U-15N; U-2H; ILVmethyl-1H]' . . 1 $gp34-m04 . . . 0.2 0.5 mM . . . . 19699 2 5 H2O 'natural abundance' . . . . . . 95 . . . . . . . 19699 2 stop_ save_ save_GEL _Sample.Sf_category sample _Sample.Sf_framecode GEL _Sample.Entry_ID 19699 _Sample.ID 3 _Sample.Type 'gel solution' _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'sodium phosphate' 'natural abundance' . . . . . . 20mM . . mM . . . . 19699 3 2 D2O '[U-99% 2H]' . . . . . . 5 . . % . . . . 19699 3 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 19699 3 4 gp34/m04 '[U-15N; U-2H]' . . 1 $gp34-m04 . . . 0.2 0.5 mM . . . . 19699 3 5 Ac/Bis-Ac 'natural abundance' . . . . . . 5.5 . . % . . . . 19699 3 6 DADMAC 'natural abundance' . . . . . . 20 . . % . . . . 19699 3 7 H2O 'natural abundance' . . . . . . 95 . . . . . . . 19699 3 stop_ save_ save_Pf1 _Sample.Sf_category sample _Sample.Sf_framecode Pf1 _Sample.Entry_ID 19699 _Sample.ID 4 _Sample.Type 'filamentous virus' _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'sodium phosphate' 'natural abundance' . . . . . . 20mM . . mM . . . . 19699 4 2 D2O '[U-99% 2H]' . . . . . . 5 . . % . . . . 19699 4 3 'sodium chloride' 'natural abundance' . . . . . . 200 . . mM . . . . 19699 4 4 gp34/m04 '[U-15N; U-2H]' . . 1 $gp34-m04 . . . 0.2 0.5 mM . . . . 19699 4 5 'Pf1 phage' 'natural abundance' . . . . . . 7.5 . . % . . . . 19699 4 6 H2O 'natural abundance' . . . . . . 95 . . . . . . . 19699 4 stop_ save_ save_ILV_NOE _Sample.Sf_category sample _Sample.Sf_framecode ILV_NOE _Sample.Entry_ID 19699 _Sample.ID 5 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'sodium phosphate' 'natural abundance' . . . . . . 20mM . . mM . . . . 19699 5 2 D2O '[U-99% 2H]' . . . . . . 5 . . % . . . . 19699 5 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 19699 5 4 gp34/m04 '[ILVmethyl-13C; U-15N; U-2H; ILVmethyl-1H]' . . 1 $gp34-m04 . . . 0.2 0.5 mM . . . . 19699 5 5 H2O 'natural abundance' . . . . . . 95 . . . . . . . 19699 5 stop_ save_ save_2D _Sample.Sf_category sample _Sample.Sf_framecode 2D _Sample.Entry_ID 19699 _Sample.ID 6 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'sodium phosphate' 'natural abundance' . . . . . . 20mM . . mM . . . . 19699 6 2 D2O '[U-99% 2H]' . . . . . . 5 . . % . . . . 19699 6 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 19699 6 4 gp34/m04 '[U-15N; U-2H]' . . 1 $gp34-m04 . . . 0.2 0.5 mM . . . . 19699 6 5 H2O 'natural abundance' . . . . . . 95 . . . . . . . 19699 6 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 19699 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.110 . M 19699 1 pH 6.5 . pH 19699 1 pressure 1 . atm 19699 1 temperature 285 . K 19699 1 stop_ save_ save_sample_conditions_2 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_2 _Sample_condition_list.Entry_ID 19699 _Sample_condition_list.ID 2 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.260 . M 19699 2 pH 6.5 . pH 19699 2 pressure 1 . atm 19699 2 temperature 285 . K 19699 2 stop_ save_ ############################ # Computer software used # ############################ save_nmrPipe _Software.Sf_category software _Software.Sf_framecode nmrPipe _Software.Entry_ID 19699 _Software.ID 1 _Software.Type . _Software.Name nmrPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Zhengrong and Bax' . . 19699 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 19699 1 stop_ save_ save_sparky _Software.Sf_category software _Software.Sf_framecode sparky _Software.Entry_ID 19699 _Software.ID 2 _Software.Type . _Software.Name sparky _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 19699 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 19699 2 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 19699 _Software.ID 3 _Software.Type . _Software.Name TOPSPIN _Software.Version 3.1 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 19699 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 19699 3 stop_ save_ save_CS-Rosetta _Software.Sf_category software _Software.Sf_framecode CS-Rosetta _Software.Entry_ID 19699 _Software.ID 4 _Software.Type . _Software.Name CS-Rosetta _Software.Version 3.0 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Shen, Vernon, Baker and Bax' . . 19699 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 19699 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 19699 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 19699 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 19699 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_4 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_4 _NMR_spectrometer.Entry_ID 19699 _NMR_spectrometer.ID 4 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 19699 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 900 . . . 19699 1 2 spectrometer_2 Bruker Avance . 600 . . . 19699 1 3 spectrometer_3 Bruker Avance . 800 . . . 19699 1 4 spectrometer_4 Bruker Avance . 600 . . . 19699 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 19699 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N TROSY-HSQC' no . . . . . . . . . . 1 $3D isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19699 1 2 '3D HNCA' no . . . . . . . . . . 1 $3D isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19699 1 3 '3D HNCACB' no . . . . . . . . . . 1 $3D isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19699 1 4 '3D HNCO' no . . . . . . . . . . 1 $3D isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19699 1 5 '3D HN(CA)CO' no . . . . . . . . . . 1 $3D isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19699 1 6 '2D 1H-15N ARTSY' no . . . . . . . . . . 4 $Pf1 anisotropic . . 2 $sample_conditions_2 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19699 1 7 '2D 1H-15N ARTSY' no . . . . . . . . . . 3 $GEL anisotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 19699 1 8 '3D 1H-13C NOESY aliphatic (HCH)' no . . . . . . . . . . 5 $ILV_NOE isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19699 1 9 '3D 1H-13C NOESY aliphatic (CCH)' no . . . . . . . . . . 5 $ILV_NOE isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19699 1 10 '2D 1H-13C HMQC methyl' no . . . . . . . . . . 5 $ILV_NOE isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19699 1 11 '3D 1H-15N NOESY (HCH)' no . . . . . . . . . . 5 $ILV_NOE isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19699 1 12 '3D 1H-15N NOESY (HCN)' no . . . . . . . . . . 5 $ILV_NOE isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19699 1 13 '3D 1H-15N NOESY (HNH)' no . . . . . . . . . . 6 $2D isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19699 1 14 '3D 1H-15N NOESY (NNH)' no . . . . . . . . . . 6 $2D isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19699 1 15 SIM-HMCM(CGCBCA)CO no . . . . . . . . . . 2 $ILV_CC isotropic . . 1 $sample_conditions_1 . . . 4 $spectrometer_4 . . . . . . . . . . . . . . . . 19699 1 16 HMCM(CG)CBCA no . . . . . . . . . . 2 $ILV_CC isotropic . . 1 $sample_conditions_1 . . . 4 $spectrometer_4 . . . . . . . . . . . . . . . . 19699 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 19699 _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.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 water protons . . . . ppm 4.700 internal indirect 0.251449530 . . . . . 19699 1 H 1 water protons . . . . ppm 4.700 internal indirect 1.000000000 . . . . . 19699 1 N 15 water protons . . . . ppm 4.700 internal indirect 0.101329118 . . . . . 19699 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 19699 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 4 '3D HNCO' . . . 19699 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $nmrPipe . . 19699 1 2 $sparky . . 19699 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.Ambiguity_set_ID _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 1 1 ARG H H 1 7.333 0.020 . 1 . . . . A 1 ARG H . 19699 1 2 . 1 1 1 1 ARG C C 13 174.817 0.060 . 1 . . . . A 1 ARG C . 19699 1 3 . 1 1 1 1 ARG CA C 13 55.153 0.060 . 1 . . . . A 1 ARG CA . 19699 1 4 . 1 1 1 1 ARG CB C 13 30.808 0.060 . 1 . . . . A 1 ARG CB . 19699 1 5 . 1 1 1 1 ARG N N 15 121.261 0.100 . 1 . . . . A 1 ARG N . 19699 1 6 . 1 1 2 2 HIS H H 1 8.695 0.020 . 1 . . . . A 2 HIS H . 19699 1 7 . 1 1 2 2 HIS C C 13 174.514 0.060 . 1 . . . . A 2 HIS C . 19699 1 8 . 1 1 2 2 HIS CA C 13 54.301 0.060 . 1 . . . . A 2 HIS CA . 19699 1 9 . 1 1 2 2 HIS CB C 13 28.454 0.060 . 1 . . . . A 2 HIS CB . 19699 1 10 . 1 1 2 2 HIS N N 15 122.591 0.100 . 1 . . . . A 2 HIS N . 19699 1 11 . 1 1 3 3 SER H H 1 8.797 0.020 . 1 . . . . A 3 SER H . 19699 1 12 . 1 1 3 3 SER C C 13 175.623 0.060 . 1 . . . . A 3 SER C . 19699 1 13 . 1 1 3 3 SER CA C 13 58.703 0.060 . 1 . . . . A 3 SER CA . 19699 1 14 . 1 1 3 3 SER CB C 13 63.275 0.060 . 1 . . . . A 3 SER CB . 19699 1 15 . 1 1 3 3 SER N N 15 120.223 0.100 . 1 . . . . A 3 SER N . 19699 1 16 . 1 1 4 4 LEU H H 1 8.332 0.020 . 1 . . . . A 4 LEU H . 19699 1 17 . 1 1 4 4 LEU C C 13 175.677 0.060 . 1 . . . . A 4 LEU C . 19699 1 18 . 1 1 4 4 LEU CA C 13 53.049 0.060 . 1 . . . . A 4 LEU CA . 19699 1 19 . 1 1 4 4 LEU CB C 13 41.607 0.060 . 1 . . . . A 4 LEU CB . 19699 1 20 . 1 1 4 4 LEU N N 15 126.300 0.100 . 1 . . . . A 4 LEU N . 19699 1 21 . 1 1 5 5 GLY H H 1 7.737 0.020 . 1 . . . . A 5 GLY H . 19699 1 22 . 1 1 5 5 GLY C C 13 171.743 0.060 . 1 . . . . A 5 GLY C . 19699 1 23 . 1 1 5 5 GLY CA C 13 43.650 0.060 . 1 . . . . A 5 GLY CA . 19699 1 24 . 1 1 5 5 GLY N N 15 108.289 0.100 . 1 . . . . A 5 GLY N . 19699 1 25 . 1 1 6 6 CYS H H 1 7.688 0.020 . 1 . . . . A 6 CYS H . 19699 1 26 . 1 1 6 6 CYS C C 13 172.715 0.060 . 1 . . . . A 6 CYS C . 19699 1 27 . 1 1 6 6 CYS CA C 13 54.724 0.060 . 1 . . . . A 6 CYS CA . 19699 1 28 . 1 1 6 6 CYS CB C 13 48.588 0.060 . 1 . . . . A 6 CYS CB . 19699 1 29 . 1 1 6 6 CYS N N 15 112.366 0.100 . 1 . . . . A 6 CYS N . 19699 1 30 . 1 1 7 7 TYR H H 1 8.733 0.020 . 1 . . . . A 7 TYR H . 19699 1 31 . 1 1 7 7 TYR C C 13 174.024 0.060 . 1 . . . . A 7 TYR C . 19699 1 32 . 1 1 7 7 TYR CA C 13 56.653 0.060 . 1 . . . . A 7 TYR CA . 19699 1 33 . 1 1 7 7 TYR CB C 13 39.522 0.060 . 1 . . . . A 7 TYR CB . 19699 1 34 . 1 1 7 7 TYR N N 15 122.399 0.100 . 1 . . . . A 7 TYR N . 19699 1 35 . 1 1 8 8 PHE H H 1 9.088 0.020 . 1 . . . . A 8 PHE H . 19699 1 36 . 1 1 8 8 PHE C C 13 175.708 0.060 . 1 . . . . A 8 PHE C . 19699 1 37 . 1 1 8 8 PHE CA C 13 56.708 0.060 . 1 . . . . A 8 PHE CA . 19699 1 38 . 1 1 8 8 PHE CB C 13 39.575 0.060 . 1 . . . . A 8 PHE CB . 19699 1 39 . 1 1 8 8 PHE N N 15 123.806 0.100 . 1 . . . . A 8 PHE N . 19699 1 40 . 1 1 9 9 LYS H H 1 9.284 0.020 . 1 . . . . A 9 LYS H . 19699 1 41 . 1 1 9 9 LYS C C 13 176.024 0.060 . 1 . . . . A 9 LYS C . 19699 1 42 . 1 1 9 9 LYS CA C 13 51.389 0.060 . 1 . . . . A 9 LYS CA . 19699 1 43 . 1 1 9 9 LYS CB C 13 37.561 0.060 . 1 . . . . A 9 LYS CB . 19699 1 44 . 1 1 9 9 LYS N N 15 121.663 0.100 . 1 . . . . A 9 LYS N . 19699 1 45 . 1 1 10 10 GLY H H 1 8.755 0.020 . 1 . . . . A 10 GLY H . 19699 1 46 . 1 1 10 10 GLY C C 13 172.722 0.060 . 1 . . . . A 10 GLY C . 19699 1 47 . 1 1 10 10 GLY CA C 13 44.202 0.060 . 1 . . . . A 10 GLY CA . 19699 1 48 . 1 1 10 10 GLY N N 15 109.739 0.100 . 1 . . . . A 10 GLY N . 19699 1 49 . 1 1 11 11 ILE H H 1 8.212 0.020 . 1 . . . . A 11 ILE H . 19699 1 50 . 1 1 11 11 ILE C C 13 174.106 0.060 . 1 . . . . A 11 ILE C . 19699 1 51 . 1 1 11 11 ILE CA C 13 60.112 0.060 . 1 . . . . A 11 ILE CA . 19699 1 52 . 1 1 11 11 ILE CB C 13 42.745 0.060 . 1 . . . . A 11 ILE CB . 19699 1 53 . 1 1 11 11 ILE N N 15 122.761 0.100 . 1 . . . . A 11 ILE N . 19699 1 54 . 1 1 12 12 ASN H H 1 9.050 0.020 . 1 . . . . A 12 ASN H . 19699 1 55 . 1 1 12 12 ASN CA C 13 49.739 0.060 . 1 . . . . A 12 ASN CA . 19699 1 56 . 1 1 12 12 ASN CB C 13 37.585 0.060 . 1 . . . . A 12 ASN CB . 19699 1 57 . 1 1 12 12 ASN N N 15 127.675 0.100 . 1 . . . . A 12 ASN N . 19699 1 58 . 1 1 13 13 PRO C C 13 176.450 0.060 . 1 . . . . A 13 PRO C . 19699 1 59 . 1 1 14 14 THR H H 1 9.320 0.020 . 1 . . . . A 14 THR H . 19699 1 60 . 1 1 14 14 THR C C 13 173.172 0.060 . 1 . . . . A 14 THR C . 19699 1 61 . 1 1 14 14 THR CA C 13 59.908 0.060 . 1 . . . . A 14 THR CA . 19699 1 62 . 1 1 14 14 THR CB C 13 70.727 0.060 . 1 . . . . A 14 THR CB . 19699 1 63 . 1 1 14 14 THR N N 15 115.695 0.100 . 1 . . . . A 14 THR N . 19699 1 64 . 1 1 15 15 LYS H H 1 8.534 0.020 . 1 . . . . A 15 LYS H . 19699 1 65 . 1 1 15 15 LYS C C 13 177.147 0.060 . 1 . . . . A 15 LYS C . 19699 1 66 . 1 1 15 15 LYS CA C 13 55.686 0.060 . 1 . . . . A 15 LYS CA . 19699 1 67 . 1 1 15 15 LYS CB C 13 31.964 0.060 . 1 . . . . A 15 LYS CB . 19699 1 68 . 1 1 15 15 LYS N N 15 123.952 0.100 . 1 . . . . A 15 LYS N . 19699 1 69 . 1 1 16 16 VAL H H 1 8.836 0.020 . 1 . . . . A 16 VAL H . 19699 1 70 . 1 1 16 16 VAL CA C 13 58.944 0.060 . 1 . . . . A 16 VAL CA . 19699 1 71 . 1 1 16 16 VAL CB C 13 32.014 0.060 . 1 . . . . A 16 VAL CB . 19699 1 72 . 1 1 16 16 VAL N N 15 129.976 0.100 . 1 . . . . A 16 VAL N . 19699 1 73 . 1 1 17 17 PRO C C 13 176.397 0.060 . 1 . . . . A 17 PRO C . 19699 1 74 . 1 1 18 18 SER H H 1 8.303 0.020 . 1 . . . . A 18 SER H . 19699 1 75 . 1 1 18 18 SER C C 13 174.516 0.060 . 1 . . . . A 18 SER C . 19699 1 76 . 1 1 18 18 SER CA C 13 56.695 0.060 . 1 . . . . A 18 SER CA . 19699 1 77 . 1 1 18 18 SER CB C 13 64.232 0.060 . 1 . . . . A 18 SER CB . 19699 1 78 . 1 1 18 18 SER N N 15 117.885 0.100 . 1 . . . . A 18 SER N . 19699 1 79 . 1 1 19 19 SER H H 1 8.679 0.020 . 1 . . . . A 19 SER H . 19699 1 80 . 1 1 19 19 SER C C 13 173.829 0.060 . 1 . . . . A 19 SER C . 19699 1 81 . 1 1 19 19 SER CA C 13 58.080 0.060 . 1 . . . . A 19 SER CA . 19699 1 82 . 1 1 19 19 SER CB C 13 62.659 0.060 . 1 . . . . A 19 SER CB . 19699 1 83 . 1 1 19 19 SER N N 15 120.346 0.100 . 1 . . . . A 19 SER N . 19699 1 84 . 1 1 20 20 ASP H H 1 8.247 0.020 . 1 . . . . A 20 ASP H . 19699 1 85 . 1 1 20 20 ASP CA C 13 52.384 0.060 . 1 . . . . A 20 ASP CA . 19699 1 86 . 1 1 20 20 ASP CB C 13 41.535 0.060 . 1 . . . . A 20 ASP CB . 19699 1 87 . 1 1 20 20 ASP N N 15 126.377 0.100 . 1 . . . . A 20 ASP N . 19699 1 88 . 1 1 21 21 PRO C C 13 177.616 0.060 . 1 . . . . A 21 PRO C . 19699 1 89 . 1 1 22 22 ARG H H 1 8.692 0.020 . 1 . . . . A 22 ARG H . 19699 1 90 . 1 1 22 22 ARG C C 13 175.307 0.060 . 1 . . . . A 22 ARG C . 19699 1 91 . 1 1 22 22 ARG CA C 13 55.414 0.060 . 1 . . . . A 22 ARG CA . 19699 1 92 . 1 1 22 22 ARG CB C 13 28.805 0.060 . 1 . . . . A 22 ARG CB . 19699 1 93 . 1 1 22 22 ARG N N 15 119.127 0.100 . 1 . . . . A 22 ARG N . 19699 1 94 . 1 1 23 23 THR H H 1 8.265 0.020 . 1 . . . . A 23 THR H . 19699 1 95 . 1 1 23 23 THR C C 13 172.509 0.060 . 1 . . . . A 23 THR C . 19699 1 96 . 1 1 23 23 THR CA C 13 63.089 0.060 . 1 . . . . A 23 THR CA . 19699 1 97 . 1 1 23 23 THR CB C 13 69.254 0.060 . 1 . . . . A 23 THR CB . 19699 1 98 . 1 1 23 23 THR N N 15 120.270 0.100 . 1 . . . . A 23 THR N . 19699 1 99 . 1 1 24 24 VAL H H 1 8.992 0.020 . 1 . . . . A 24 VAL H . 19699 1 100 . 1 1 24 24 VAL C C 13 174.663 0.060 . 1 . . . . A 24 VAL C . 19699 1 101 . 1 1 24 24 VAL CA C 13 60.984 0.060 . 1 . . . . A 24 VAL CA . 19699 1 102 . 1 1 24 24 VAL CB C 13 31.604 0.060 . 1 . . . . A 24 VAL CB . 19699 1 103 . 1 1 24 24 VAL N N 15 129.461 0.100 . 1 . . . . A 24 VAL N . 19699 1 104 . 1 1 25 25 LEU H H 1 9.281 0.020 . 1 . . . . A 25 LEU H . 19699 1 105 . 1 1 25 25 LEU C C 13 174.669 0.060 . 1 . . . . A 25 LEU C . 19699 1 106 . 1 1 25 25 LEU CA C 13 52.247 0.060 . 1 . . . . A 25 LEU CA . 19699 1 107 . 1 1 25 25 LEU CB C 13 44.162 0.060 . 1 . . . . A 25 LEU CB . 19699 1 108 . 1 1 25 25 LEU N N 15 126.449 0.100 . 1 . . . . A 25 LEU N . 19699 1 109 . 1 1 26 26 LYS H H 1 8.832 0.020 . 1 . . . . A 26 LYS H . 19699 1 110 . 1 1 26 26 LYS C C 13 175.637 0.060 . 1 . . . . A 26 LYS C . 19699 1 111 . 1 1 26 26 LYS CA C 13 53.665 0.060 . 1 . . . . A 26 LYS CA . 19699 1 112 . 1 1 26 26 LYS CB C 13 36.820 0.060 . 1 . . . . A 26 LYS CB . 19699 1 113 . 1 1 26 26 LYS N N 15 120.574 0.100 . 1 . . . . A 26 LYS N . 19699 1 114 . 1 1 27 27 CYS H H 1 8.709 0.020 . 1 . . . . A 27 CYS H . 19699 1 115 . 1 1 27 27 CYS C C 13 172.527 0.060 . 1 . . . . A 27 CYS C . 19699 1 116 . 1 1 27 27 CYS CA C 13 52.428 0.060 . 1 . . . . A 27 CYS CA . 19699 1 117 . 1 1 27 27 CYS CB C 13 44.628 0.060 . 1 . . . . A 27 CYS CB . 19699 1 118 . 1 1 27 27 CYS N N 15 126.079 0.100 . 1 . . . . A 27 CYS N . 19699 1 119 . 1 1 28 28 THR H H 1 8.086 0.020 . 1 . . . . A 28 THR H . 19699 1 120 . 1 1 28 28 THR C C 13 172.844 0.060 . 1 . . . . A 28 THR C . 19699 1 121 . 1 1 28 28 THR CA C 13 64.228 0.060 . 1 . . . . A 28 THR CA . 19699 1 122 . 1 1 28 28 THR CB C 13 68.222 0.060 . 1 . . . . A 28 THR CB . 19699 1 123 . 1 1 28 28 THR N N 15 122.887 0.100 . 1 . . . . A 28 THR N . 19699 1 124 . 1 1 29 29 LEU H H 1 8.452 0.020 . 1 . . . . A 29 LEU H . 19699 1 125 . 1 1 29 29 LEU CA C 13 50.361 0.060 . 1 . . . . A 29 LEU CA . 19699 1 126 . 1 1 29 29 LEU CB C 13 39.791 0.060 . 1 . . . . A 29 LEU CB . 19699 1 127 . 1 1 29 29 LEU N N 15 127.761 0.100 . 1 . . . . A 29 LEU N . 19699 1 128 . 1 1 30 30 PRO C C 13 174.451 0.060 . 1 . . . . A 30 PRO C . 19699 1 129 . 1 1 31 31 ASP H H 1 8.380 0.020 . 1 . . . . A 31 ASP H . 19699 1 130 . 1 1 31 31 ASP C C 13 175.442 0.060 . 1 . . . . A 31 ASP C . 19699 1 131 . 1 1 31 31 ASP CA C 13 52.922 0.060 . 1 . . . . A 31 ASP CA . 19699 1 132 . 1 1 31 31 ASP CB C 13 38.245 0.060 . 1 . . . . A 31 ASP CB . 19699 1 133 . 1 1 31 31 ASP N N 15 120.693 0.100 . 1 . . . . A 31 ASP N . 19699 1 134 . 1 1 32 32 VAL H H 1 7.195 0.020 . 1 . . . . A 32 VAL H . 19699 1 135 . 1 1 32 32 VAL C C 13 173.841 0.060 . 1 . . . . A 32 VAL C . 19699 1 136 . 1 1 32 32 VAL CA C 13 60.968 0.060 . 1 . . . . A 32 VAL CA . 19699 1 137 . 1 1 32 32 VAL CB C 13 33.402 0.060 . 1 . . . . A 32 VAL CB . 19699 1 138 . 1 1 32 32 VAL N N 15 127.962 0.100 . 1 . . . . A 32 VAL N . 19699 1 139 . 1 1 33 33 LYS H H 1 8.375 0.020 . 1 . . . . A 33 LYS H . 19699 1 140 . 1 1 33 33 LYS C C 13 176.805 0.060 . 1 . . . . A 33 LYS C . 19699 1 141 . 1 1 33 33 LYS CA C 13 54.758 0.060 . 1 . . . . A 33 LYS CA . 19699 1 142 . 1 1 33 33 LYS CB C 13 30.073 0.060 . 1 . . . . A 33 LYS CB . 19699 1 143 . 1 1 33 33 LYS N N 15 127.967 0.100 . 1 . . . . A 33 LYS N . 19699 1 144 . 1 1 34 34 VAL H H 1 6.445 0.020 . 1 . . . . A 34 VAL H . 19699 1 145 . 1 1 34 34 VAL C C 13 174.766 0.060 . 1 . . . . A 34 VAL C . 19699 1 146 . 1 1 34 34 VAL CA C 13 56.939 0.060 . 1 . . . . A 34 VAL CA . 19699 1 147 . 1 1 34 34 VAL CB C 13 34.674 0.060 . 1 . . . . A 34 VAL CB . 19699 1 148 . 1 1 34 34 VAL N N 15 110.772 0.100 . 1 . . . . A 34 VAL N . 19699 1 149 . 1 1 35 35 ASN H H 1 8.723 0.020 . 1 . . . . A 35 ASN H . 19699 1 150 . 1 1 35 35 ASN C C 13 173.218 0.060 . 1 . . . . A 35 ASN C . 19699 1 151 . 1 1 35 35 ASN CA C 13 53.636 0.060 . 1 . . . . A 35 ASN CA . 19699 1 152 . 1 1 35 35 ASN CB C 13 36.128 0.060 . 1 . . . . A 35 ASN CB . 19699 1 153 . 1 1 35 35 ASN N N 15 123.757 0.100 . 1 . . . . A 35 ASN N . 19699 1 154 . 1 1 36 36 ALA H H 1 7.176 0.020 . 1 . . . . A 36 ALA H . 19699 1 155 . 1 1 36 36 ALA C C 13 175.731 0.060 . 1 . . . . A 36 ALA C . 19699 1 156 . 1 1 36 36 ALA N N 15 124.355 0.100 . 1 . . . . A 36 ALA N . 19699 1 157 . 1 1 37 37 SER H H 1 8.185 0.020 . 1 . . . . A 37 SER H . 19699 1 158 . 1 1 37 37 SER C C 13 173.137 0.060 . 1 . . . . A 37 SER C . 19699 1 159 . 1 1 37 37 SER CA C 13 56.592 0.060 . 1 . . . . A 37 SER CA . 19699 1 160 . 1 1 37 37 SER CB C 13 65.760 0.060 . 1 . . . . A 37 SER CB . 19699 1 161 . 1 1 37 37 SER N N 15 116.842 0.100 . 1 . . . . A 37 SER N . 19699 1 162 . 1 1 38 38 TRP H H 1 8.895 0.020 . 1 . . . . A 38 TRP H . 19699 1 163 . 1 1 38 38 TRP C C 13 174.100 0.060 . 1 . . . . A 38 TRP C . 19699 1 164 . 1 1 38 38 TRP CA C 13 54.834 0.060 . 1 . . . . A 38 TRP CA . 19699 1 165 . 1 1 38 38 TRP CB C 13 28.594 0.060 . 1 . . . . A 38 TRP CB . 19699 1 166 . 1 1 38 38 TRP N N 15 123.519 0.100 . 1 . . . . A 38 TRP N . 19699 1 167 . 1 1 39 39 THR H H 1 9.073 0.020 . 1 . . . . A 39 THR H . 19699 1 168 . 1 1 39 39 THR C C 13 174.400 0.060 . 1 . . . . A 39 THR C . 19699 1 169 . 1 1 39 39 THR CA C 13 61.580 0.060 . 1 . . . . A 39 THR CA . 19699 1 170 . 1 1 39 39 THR CB C 13 70.182 0.060 . 1 . . . . A 39 THR CB . 19699 1 171 . 1 1 39 39 THR N N 15 120.476 0.100 . 1 . . . . A 39 THR N . 19699 1 172 . 1 1 40 40 LEU H H 1 10.036 0.020 . 1 . . . . A 40 LEU H . 19699 1 173 . 1 1 40 40 LEU C C 13 173.008 0.060 . 1 . . . . A 40 LEU C . 19699 1 174 . 1 1 40 40 LEU N N 15 129.561 0.100 . 1 . . . . A 40 LEU N . 19699 1 175 . 1 1 41 41 GLU H H 1 8.504 0.020 . 1 . . . . A 41 GLU H . 19699 1 176 . 1 1 41 41 GLU C C 13 174.208 0.060 . 1 . . . . A 41 GLU C . 19699 1 177 . 1 1 41 41 GLU CA C 13 53.151 0.060 . 1 . . . . A 41 GLU CA . 19699 1 178 . 1 1 41 41 GLU CB C 13 31.092 0.060 . 1 . . . . A 41 GLU CB . 19699 1 179 . 1 1 41 41 GLU N N 15 126.217 0.100 . 1 . . . . A 41 GLU N . 19699 1 180 . 1 1 42 42 TRP H H 1 9.446 0.020 . 1 . . . . A 42 TRP H . 19699 1 181 . 1 1 42 42 TRP C C 13 174.332 0.060 . 1 . . . . A 42 TRP C . 19699 1 182 . 1 1 42 42 TRP CA C 13 55.084 0.060 . 1 . . . . A 42 TRP CA . 19699 1 183 . 1 1 42 42 TRP CB C 13 27.913 0.060 . 1 . . . . A 42 TRP CB . 19699 1 184 . 1 1 42 42 TRP N N 15 131.942 0.100 . 1 . . . . A 42 TRP N . 19699 1 185 . 1 1 43 43 VAL H H 1 9.065 0.020 . 1 . . . . A 43 VAL H . 19699 1 186 . 1 1 43 43 VAL C C 13 175.693 0.060 . 1 . . . . A 43 VAL C . 19699 1 187 . 1 1 43 43 VAL CA C 13 62.219 0.060 . 1 . . . . A 43 VAL CA . 19699 1 188 . 1 1 43 43 VAL CB C 13 31.454 0.060 . 1 . . . . A 43 VAL CB . 19699 1 189 . 1 1 43 43 VAL N N 15 127.871 0.100 . 1 . . . . A 43 VAL N . 19699 1 190 . 1 1 44 44 VAL H H 1 8.895 0.020 . 1 . . . . A 44 VAL H . 19699 1 191 . 1 1 44 44 VAL C C 13 176.740 0.060 . 1 . . . . A 44 VAL C . 19699 1 192 . 1 1 44 44 VAL CA C 13 61.175 0.060 . 1 . . . . A 44 VAL CA . 19699 1 193 . 1 1 44 44 VAL CB C 13 28.485 0.060 . 1 . . . . A 44 VAL CB . 19699 1 194 . 1 1 44 44 VAL N N 15 129.882 0.100 . 1 . . . . A 44 VAL N . 19699 1 195 . 1 1 45 45 VAL H H 1 7.462 0.020 . 1 . . . . A 45 VAL H . 19699 1 196 . 1 1 45 45 VAL C C 13 179.320 0.060 . 1 . . . . A 45 VAL C . 19699 1 197 . 1 1 45 45 VAL CA C 13 66.862 0.060 . 1 . . . . A 45 VAL CA . 19699 1 198 . 1 1 45 45 VAL CB C 13 31.205 0.060 . 1 . . . . A 45 VAL CB . 19699 1 199 . 1 1 45 45 VAL N N 15 125.719 0.100 . 1 . . . . A 45 VAL N . 19699 1 200 . 1 1 46 46 ASN H H 1 8.550 0.020 . 1 . . . . A 46 ASN H . 19699 1 201 . 1 1 46 46 ASN C C 13 175.545 0.060 . 1 . . . . A 46 ASN C . 19699 1 202 . 1 1 46 46 ASN CA C 13 54.810 0.060 . 1 . . . . A 46 ASN CA . 19699 1 203 . 1 1 46 46 ASN CB C 13 36.077 0.060 . 1 . . . . A 46 ASN CB . 19699 1 204 . 1 1 46 46 ASN N N 15 114.964 0.100 . 1 . . . . A 46 ASN N . 19699 1 205 . 1 1 47 47 LEU H H 1 7.023 0.020 . 1 . . . . A 47 LEU H . 19699 1 206 . 1 1 47 47 LEU C C 13 175.920 0.060 . 1 . . . . A 47 LEU C . 19699 1 207 . 1 1 47 47 LEU CA C 13 53.266 0.060 . 1 . . . . A 47 LEU CA . 19699 1 208 . 1 1 47 47 LEU CB C 13 41.645 0.060 . 1 . . . . A 47 LEU CB . 19699 1 209 . 1 1 47 47 LEU N N 15 117.360 0.100 . 1 . . . . A 47 LEU N . 19699 1 210 . 1 1 48 48 HIS H H 1 7.581 0.020 . 1 . . . . A 48 HIS H . 19699 1 211 . 1 1 48 48 HIS C C 13 172.021 0.060 . 1 . . . . A 48 HIS C . 19699 1 212 . 1 1 48 48 HIS CA C 13 55.594 0.060 . 1 . . . . A 48 HIS CA . 19699 1 213 . 1 1 48 48 HIS CB C 13 26.230 0.060 . 1 . . . . A 48 HIS CB . 19699 1 214 . 1 1 48 48 HIS N N 15 116.042 0.100 . 1 . . . . A 48 HIS N . 19699 1 215 . 1 1 49 49 THR H H 1 7.011 0.020 . 1 . . . . A 49 THR H . 19699 1 216 . 1 1 49 49 THR C C 13 171.828 0.060 . 1 . . . . A 49 THR C . 19699 1 217 . 1 1 49 49 THR CA C 13 58.493 0.060 . 1 . . . . A 49 THR CA . 19699 1 218 . 1 1 49 49 THR CB C 13 68.152 0.060 . 1 . . . . A 49 THR CB . 19699 1 219 . 1 1 49 49 THR N N 15 107.923 0.100 . 1 . . . . A 49 THR N . 19699 1 220 . 1 1 50 50 SER H H 1 8.066 0.020 . 1 . . . . A 50 SER H . 19699 1 221 . 1 1 50 50 SER C C 13 172.904 0.060 . 1 . . . . A 50 SER C . 19699 1 222 . 1 1 50 50 SER CA C 13 55.318 0.060 . 1 . . . . A 50 SER CA . 19699 1 223 . 1 1 50 50 SER CB C 13 66.748 0.060 . 1 . . . . A 50 SER CB . 19699 1 224 . 1 1 50 50 SER N N 15 114.393 0.100 . 1 . . . . A 50 SER N . 19699 1 225 . 1 1 51 51 VAL H H 1 8.667 0.020 . 1 . . . . A 51 VAL H . 19699 1 226 . 1 1 51 51 VAL C C 13 176.585 0.060 . 1 . . . . A 51 VAL C . 19699 1 227 . 1 1 51 51 VAL CA C 13 63.214 0.060 . 1 . . . . A 51 VAL CA . 19699 1 228 . 1 1 51 51 VAL CB C 13 31.351 0.060 . 1 . . . . A 51 VAL CB . 19699 1 229 . 1 1 51 51 VAL N N 15 123.100 0.100 . 1 . . . . A 51 VAL N . 19699 1 230 . 1 1 52 52 ASP H H 1 9.402 0.020 . 1 . . . . A 52 ASP H . 19699 1 231 . 1 1 52 52 ASP C C 13 173.916 0.060 . 1 . . . . A 52 ASP C . 19699 1 232 . 1 1 52 52 ASP CA C 13 56.742 0.060 . 1 . . . . A 52 ASP CA . 19699 1 233 . 1 1 52 52 ASP CB C 13 39.928 0.060 . 1 . . . . A 52 ASP CB . 19699 1 234 . 1 1 52 52 ASP N N 15 129.313 0.100 . 1 . . . . A 52 ASP N . 19699 1 235 . 1 1 53 53 VAL H H 1 7.080 0.020 . 1 . . . . A 53 VAL H . 19699 1 236 . 1 1 53 53 VAL C C 13 175.402 0.060 . 1 . . . . A 53 VAL C . 19699 1 237 . 1 1 53 53 VAL CA C 13 59.768 0.060 . 1 . . . . A 53 VAL CA . 19699 1 238 . 1 1 53 53 VAL CB C 13 34.846 0.060 . 1 . . . . A 53 VAL CB . 19699 1 239 . 1 1 53 53 VAL N N 15 118.437 0.100 . 1 . . . . A 53 VAL N . 19699 1 240 . 1 1 54 54 THR H H 1 9.682 0.020 . 1 . . . . A 54 THR H . 19699 1 241 . 1 1 54 54 THR C C 13 174.081 0.060 . 1 . . . . A 54 THR C . 19699 1 242 . 1 1 54 54 THR CA C 13 58.682 0.060 . 1 . . . . A 54 THR CA . 19699 1 243 . 1 1 54 54 THR CB C 13 70.590 0.060 . 1 . . . . A 54 THR CB . 19699 1 244 . 1 1 54 54 THR N N 15 115.972 0.100 . 1 . . . . A 54 THR N . 19699 1 245 . 1 1 55 55 SER H H 1 9.115 0.020 . 1 . . . . A 55 SER H . 19699 1 246 . 1 1 55 55 SER C C 13 172.532 0.060 . 1 . . . . A 55 SER C . 19699 1 247 . 1 1 55 55 SER CA C 13 58.440 0.060 . 1 . . . . A 55 SER CA . 19699 1 248 . 1 1 55 55 SER CB C 13 64.406 0.060 . 1 . . . . A 55 SER CB . 19699 1 249 . 1 1 55 55 SER N N 15 117.493 0.100 . 1 . . . . A 55 SER N . 19699 1 250 . 1 1 56 56 TYR H H 1 8.706 0.020 . 1 . . . . A 56 TYR H . 19699 1 251 . 1 1 56 56 TYR C C 13 173.235 0.060 . 1 . . . . A 56 TYR C . 19699 1 252 . 1 1 56 56 TYR CA C 13 58.291 0.060 . 1 . . . . A 56 TYR CA . 19699 1 253 . 1 1 56 56 TYR CB C 13 40.634 0.060 . 1 . . . . A 56 TYR CB . 19699 1 254 . 1 1 56 56 TYR N N 15 127.570 0.100 . 1 . . . . A 56 TYR N . 19699 1 255 . 1 1 57 57 TYR H H 1 9.160 0.020 . 1 . . . . A 57 TYR H . 19699 1 256 . 1 1 57 57 TYR C C 13 175.189 0.060 . 1 . . . . A 57 TYR C . 19699 1 257 . 1 1 57 57 TYR CA C 13 54.410 0.060 . 1 . . . . A 57 TYR CA . 19699 1 258 . 1 1 57 57 TYR CB C 13 40.543 0.060 . 1 . . . . A 57 TYR CB . 19699 1 259 . 1 1 57 57 TYR N N 15 126.921 0.100 . 1 . . . . A 57 TYR N . 19699 1 260 . 1 1 58 58 GLU H H 1 7.814 0.020 . 1 . . . . A 58 GLU H . 19699 1 261 . 1 1 58 58 GLU C C 13 176.098 0.060 . 1 . . . . A 58 GLU C . 19699 1 262 . 1 1 58 58 GLU CA C 13 55.321 0.060 . 1 . . . . A 58 GLU CA . 19699 1 263 . 1 1 58 58 GLU CB C 13 33.997 0.060 . 1 . . . . A 58 GLU CB . 19699 1 264 . 1 1 58 58 GLU N N 15 114.689 0.100 . 1 . . . . A 58 GLU N . 19699 1 265 . 1 1 59 59 SER H H 1 9.059 0.020 . 1 . . . . A 59 SER H . 19699 1 266 . 1 1 59 59 SER C C 13 172.474 0.060 . 1 . . . . A 59 SER C . 19699 1 267 . 1 1 59 59 SER CA C 13 56.261 0.060 . 1 . . . . A 59 SER CA . 19699 1 268 . 1 1 59 59 SER CB C 13 67.299 0.060 . 1 . . . . A 59 SER CB . 19699 1 269 . 1 1 59 59 SER N N 15 118.144 0.100 . 1 . . . . A 59 SER N . 19699 1 270 . 1 1 60 60 SER H H 1 9.489 0.020 . 1 . . . . A 60 SER H . 19699 1 271 . 1 1 60 60 SER CA C 13 56.956 0.060 . 1 . . . . A 60 SER CA . 19699 1 272 . 1 1 60 60 SER CB C 13 65.027 0.060 . 1 . . . . A 60 SER CB . 19699 1 273 . 1 1 60 60 SER N N 15 120.314 0.100 . 1 . . . . A 60 SER N . 19699 1 274 . 1 1 61 61 PRO C C 13 175.753 0.060 . 1 . . . . A 61 PRO C . 19699 1 275 . 1 1 62 62 ASN H H 1 7.693 0.020 . 1 . . . . A 62 ASN H . 19699 1 276 . 1 1 62 62 ASN C C 13 174.630 0.060 . 1 . . . . A 62 ASN C . 19699 1 277 . 1 1 62 62 ASN CA C 13 51.410 0.060 . 1 . . . . A 62 ASN CA . 19699 1 278 . 1 1 62 62 ASN CB C 13 39.956 0.060 . 1 . . . . A 62 ASN CB . 19699 1 279 . 1 1 62 62 ASN N N 15 110.807 0.100 . 1 . . . . A 62 ASN N . 19699 1 280 . 1 1 63 63 SER H H 1 7.636 0.020 . 1 . . . . A 63 SER H . 19699 1 281 . 1 1 63 63 SER C C 13 171.926 0.060 . 1 . . . . A 63 SER C . 19699 1 282 . 1 1 63 63 SER CA C 13 57.927 0.060 . 1 . . . . A 63 SER CA . 19699 1 283 . 1 1 63 63 SER CB C 13 64.472 0.060 . 1 . . . . A 63 SER CB . 19699 1 284 . 1 1 63 63 SER N N 15 115.903 0.100 . 1 . . . . A 63 SER N . 19699 1 285 . 1 1 64 64 GLU H H 1 9.432 0.020 . 1 . . . . A 64 GLU H . 19699 1 286 . 1 1 64 64 GLU CA C 13 55.327 0.060 . 1 . . . . A 64 GLU CA . 19699 1 287 . 1 1 64 64 GLU CB C 13 25.436 0.060 . 1 . . . . A 64 GLU CB . 19699 1 288 . 1 1 64 64 GLU N N 15 128.229 0.100 . 1 . . . . A 64 GLU N . 19699 1 289 . 1 1 65 65 PRO C C 13 175.912 0.060 . 1 . . . . A 65 PRO C . 19699 1 290 . 1 1 66 66 ARG H H 1 8.054 0.020 . 1 . . . . A 66 ARG H . 19699 1 291 . 1 1 66 66 ARG C C 13 175.221 0.060 . 1 . . . . A 66 ARG C . 19699 1 292 . 1 1 66 66 ARG CA C 13 53.753 0.060 . 1 . . . . A 66 ARG CA . 19699 1 293 . 1 1 66 66 ARG CB C 13 32.172 0.060 . 1 . . . . A 66 ARG CB . 19699 1 294 . 1 1 66 66 ARG N N 15 125.093 0.100 . 1 . . . . A 66 ARG N . 19699 1 295 . 1 1 67 67 PHE H H 1 9.078 0.020 . 1 . . . . A 67 PHE H . 19699 1 296 . 1 1 67 67 PHE C C 13 174.478 0.060 . 1 . . . . A 67 PHE C . 19699 1 297 . 1 1 67 67 PHE CA C 13 58.896 0.060 . 1 . . . . A 67 PHE CA . 19699 1 298 . 1 1 67 67 PHE CB C 13 38.054 0.060 . 1 . . . . A 67 PHE CB . 19699 1 299 . 1 1 67 67 PHE N N 15 126.028 0.100 . 1 . . . . A 67 PHE N . 19699 1 300 . 1 1 68 68 LEU H H 1 8.477 0.020 . 1 . . . . A 68 LEU H . 19699 1 301 . 1 1 68 68 LEU C C 13 175.994 0.060 . 1 . . . . A 68 LEU C . 19699 1 302 . 1 1 68 68 LEU CA C 13 54.872 0.060 . 1 . . . . A 68 LEU CA . 19699 1 303 . 1 1 68 68 LEU CB C 13 44.775 0.060 . 1 . . . . A 68 LEU CB . 19699 1 304 . 1 1 68 68 LEU N N 15 127.080 0.100 . 1 . . . . A 68 LEU N . 19699 1 305 . 1 1 69 69 ARG H H 1 6.560 0.020 . 1 . . . . A 69 ARG H . 19699 1 306 . 1 1 69 69 ARG C C 13 172.738 0.060 . 1 . . . . A 69 ARG C . 19699 1 307 . 1 1 69 69 ARG CA C 13 54.926 0.060 . 1 . . . . A 69 ARG CA . 19699 1 308 . 1 1 69 69 ARG CB C 13 29.729 0.060 . 1 . . . . A 69 ARG CB . 19699 1 309 . 1 1 69 69 ARG N N 15 111.037 0.100 . 1 . . . . A 69 ARG N . 19699 1 310 . 1 1 70 70 ALA H H 1 8.749 0.020 . 1 . . . . A 70 ALA H . 19699 1 311 . 1 1 70 70 ALA C C 13 177.538 0.060 . 1 . . . . A 70 ALA C . 19699 1 312 . 1 1 70 70 ALA CA C 13 50.155 0.060 . 1 . . . . A 70 ALA CA . 19699 1 313 . 1 1 70 70 ALA CB C 13 18.600 0.060 . 1 . . . . A 70 ALA CB . 19699 1 314 . 1 1 70 70 ALA N N 15 124.959 0.100 . 1 . . . . A 70 ALA N . 19699 1 315 . 1 1 71 71 ILE H H 1 8.532 0.020 . 1 . . . . A 71 ILE H . 19699 1 316 . 1 1 71 71 ILE C C 13 174.971 0.060 . 1 . . . . A 71 ILE C . 19699 1 317 . 1 1 71 71 ILE CA C 13 59.181 0.060 . 1 . . . . A 71 ILE CA . 19699 1 318 . 1 1 71 71 ILE CB C 13 40.500 0.060 . 1 . . . . A 71 ILE CB . 19699 1 319 . 1 1 71 71 ILE N N 15 120.318 0.100 . 1 . . . . A 71 ILE N . 19699 1 320 . 1 1 72 72 LEU H H 1 8.370 0.020 . 1 . . . . A 72 LEU H . 19699 1 321 . 1 1 72 72 LEU C C 13 176.383 0.060 . 1 . . . . A 72 LEU C . 19699 1 322 . 1 1 72 72 LEU CA C 13 56.146 0.060 . 1 . . . . A 72 LEU CA . 19699 1 323 . 1 1 72 72 LEU CB C 13 40.535 0.060 . 1 . . . . A 72 LEU CB . 19699 1 324 . 1 1 72 72 LEU N N 15 124.858 0.100 . 1 . . . . A 72 LEU N . 19699 1 325 . 1 1 73 73 ASN H H 1 8.220 0.020 . 1 . . . . A 73 ASN H . 19699 1 326 . 1 1 73 73 ASN C C 13 174.181 0.060 . 1 . . . . A 73 ASN C . 19699 1 327 . 1 1 73 73 ASN CA C 13 50.689 0.060 . 1 . . . . A 73 ASN CA . 19699 1 328 . 1 1 73 73 ASN CB C 13 36.110 0.060 . 1 . . . . A 73 ASN CB . 19699 1 329 . 1 1 73 73 ASN N N 15 118.206 0.100 . 1 . . . . A 73 ASN N . 19699 1 330 . 1 1 74 74 PHE H H 1 7.606 0.020 . 1 . . . . A 74 PHE H . 19699 1 331 . 1 1 74 74 PHE C C 13 176.458 0.060 . 1 . . . . A 74 PHE C . 19699 1 332 . 1 1 74 74 PHE CA C 13 59.394 0.060 . 1 . . . . A 74 PHE CA . 19699 1 333 . 1 1 74 74 PHE CB C 13 39.548 0.060 . 1 . . . . A 74 PHE CB . 19699 1 334 . 1 1 74 74 PHE N N 15 123.331 0.100 . 1 . . . . A 74 PHE N . 19699 1 335 . 1 1 75 75 THR H H 1 7.826 0.020 . 1 . . . . A 75 THR H . 19699 1 336 . 1 1 75 75 THR N N 15 109.350 0.100 . 1 . . . . A 75 THR N . 19699 1 337 . 1 1 76 76 PRO C C 13 176.832 0.060 . 1 . . . . A 76 PRO C . 19699 1 338 . 1 1 77 77 MET H H 1 8.404 0.020 . 1 . . . . A 77 MET H . 19699 1 339 . 1 1 77 77 MET C C 13 176.515 0.060 . 1 . . . . A 77 MET C . 19699 1 340 . 1 1 77 77 MET CA C 13 55.525 0.060 . 1 . . . . A 77 MET CA . 19699 1 341 . 1 1 77 77 MET CB C 13 30.039 0.060 . 1 . . . . A 77 MET CB . 19699 1 342 . 1 1 77 77 MET N N 15 122.265 0.100 . 1 . . . . A 77 MET N . 19699 1 343 . 1 1 78 78 HIS H H 1 8.469 0.020 . 1 . . . . A 78 HIS H . 19699 1 344 . 1 1 78 78 HIS C C 13 175.951 0.060 . 1 . . . . A 78 HIS C . 19699 1 345 . 1 1 78 78 HIS CA C 13 55.574 0.060 . 1 . . . . A 78 HIS CA . 19699 1 346 . 1 1 78 78 HIS CB C 13 29.895 0.060 . 1 . . . . A 78 HIS CB . 19699 1 347 . 1 1 78 78 HIS N N 15 123.575 0.100 . 1 . . . . A 78 HIS N . 19699 1 348 . 1 1 80 80 LEU C C 13 177.711 0.060 . 1 . . . . A 80 LEU C . 19699 1 349 . 1 1 81 81 ARG H H 1 8.368 0.020 . 1 . . . . A 81 ARG H . 19699 1 350 . 1 1 81 81 ARG C C 13 177.060 0.060 . 1 . . . . A 81 ARG C . 19699 1 351 . 1 1 81 81 ARG N N 15 119.707 0.100 . 1 . . . . A 81 ARG N . 19699 1 352 . 1 1 82 82 THR H H 1 7.936 0.020 . 1 . . . . A 82 THR H . 19699 1 353 . 1 1 82 82 THR C C 13 174.712 0.060 . 1 . . . . A 82 THR C . 19699 1 354 . 1 1 82 82 THR CA C 13 62.533 0.060 . 1 . . . . A 82 THR CA . 19699 1 355 . 1 1 82 82 THR N N 15 114.163 0.100 . 1 . . . . A 82 THR N . 19699 1 356 . 1 1 83 83 LYS H H 1 8.092 0.020 . 1 . . . . A 83 LYS H . 19699 1 357 . 1 1 83 83 LYS C C 13 175.855 0.060 . 1 . . . . A 83 LYS C . 19699 1 358 . 1 1 83 83 LYS CA C 13 55.700 0.060 . 1 . . . . A 83 LYS CA . 19699 1 359 . 1 1 83 83 LYS CB C 13 32.322 0.060 . 1 . . . . A 83 LYS CB . 19699 1 360 . 1 1 83 83 LYS N N 15 121.875 0.100 . 1 . . . . A 83 LYS N . 19699 1 361 . 1 1 84 84 ASN H H 1 8.163 0.020 . 1 . . . . A 84 ASN H . 19699 1 362 . 1 1 84 84 ASN C C 13 176.216 0.060 . 1 . . . . A 84 ASN C . 19699 1 363 . 1 1 84 84 ASN CA C 13 52.602 0.060 . 1 . . . . A 84 ASN CA . 19699 1 364 . 1 1 84 84 ASN CB C 13 38.706 0.060 . 1 . . . . A 84 ASN CB . 19699 1 365 . 1 1 84 84 ASN N N 15 118.272 0.100 . 1 . . . . A 84 ASN N . 19699 1 366 . 1 1 85 85 LEU H H 1 8.382 0.020 . 1 . . . . A 85 LEU H . 19699 1 367 . 1 1 85 85 LEU C C 13 176.987 0.060 . 1 . . . . A 85 LEU C . 19699 1 368 . 1 1 85 85 LEU CA C 13 54.266 0.060 . 1 . . . . A 85 LEU CA . 19699 1 369 . 1 1 85 85 LEU CB C 13 40.497 0.060 . 1 . . . . A 85 LEU CB . 19699 1 370 . 1 1 85 85 LEU N N 15 123.394 0.100 . 1 . . . . A 85 LEU N . 19699 1 371 . 1 1 86 86 LEU H H 1 8.350 0.020 . 1 . . . . A 86 LEU H . 19699 1 372 . 1 1 86 86 LEU C C 13 175.867 0.060 . 1 . . . . A 86 LEU C . 19699 1 373 . 1 1 86 86 LEU CA C 13 54.615 0.060 . 1 . . . . A 86 LEU CA . 19699 1 374 . 1 1 86 86 LEU CB C 13 42.488 0.060 . 1 . . . . A 86 LEU CB . 19699 1 375 . 1 1 86 86 LEU N N 15 122.330 0.100 . 1 . . . . A 86 LEU N . 19699 1 376 . 1 1 87 87 LYS H H 1 9.560 0.020 . 1 . . . . A 87 LYS H . 19699 1 377 . 1 1 87 87 LYS C C 13 179.215 0.060 . 1 . . . . A 87 LYS C . 19699 1 378 . 1 1 87 87 LYS CA C 13 54.413 0.060 . 1 . . . . A 87 LYS CA . 19699 1 379 . 1 1 87 87 LYS CB C 13 35.919 0.060 . 1 . . . . A 87 LYS CB . 19699 1 380 . 1 1 87 87 LYS N N 15 121.964 0.100 . 1 . . . . A 87 LYS N . 19699 1 381 . 1 1 88 88 VAL H H 1 8.331 0.020 . 1 . . . . A 88 VAL H . 19699 1 382 . 1 1 88 88 VAL C C 13 181.289 0.060 . 1 . . . . A 88 VAL C . 19699 1 383 . 1 1 88 88 VAL CA C 13 66.731 0.060 . 1 . . . . A 88 VAL CA . 19699 1 384 . 1 1 88 88 VAL CB C 13 30.096 0.060 . 1 . . . . A 88 VAL CB . 19699 1 385 . 1 1 88 88 VAL N N 15 124.714 0.100 . 1 . . . . A 88 VAL N . 19699 1 386 . 1 1 89 89 LYS H H 1 8.356 0.020 . 1 . . . . A 89 LYS H . 19699 1 387 . 1 1 89 89 LYS C C 13 176.988 0.060 . 1 . . . . A 89 LYS C . 19699 1 388 . 1 1 89 89 LYS CA C 13 54.733 0.060 . 1 . . . . A 89 LYS CA . 19699 1 389 . 1 1 89 89 LYS CB C 13 30.437 0.060 . 1 . . . . A 89 LYS CB . 19699 1 390 . 1 1 89 89 LYS N N 15 119.721 0.100 . 1 . . . . A 89 LYS N . 19699 1 391 . 1 1 90 90 ASP H H 1 7.613 0.020 . 1 . . . . A 90 ASP H . 19699 1 392 . 1 1 90 90 ASP C C 13 174.938 0.060 . 1 . . . . A 90 ASP C . 19699 1 393 . 1 1 90 90 ASP CA C 13 54.722 0.060 . 1 . . . . A 90 ASP CA . 19699 1 394 . 1 1 90 90 ASP CB C 13 42.585 0.060 . 1 . . . . A 90 ASP CB . 19699 1 395 . 1 1 90 90 ASP N N 15 117.057 0.100 . 1 . . . . A 90 ASP N . 19699 1 396 . 1 1 91 91 GLY H H 1 8.078 0.020 . 1 . . . . A 91 GLY H . 19699 1 397 . 1 1 91 91 GLY C C 13 172.136 0.060 . 1 . . . . A 91 GLY C . 19699 1 398 . 1 1 91 91 GLY CA C 13 44.478 0.060 . 1 . . . . A 91 GLY CA . 19699 1 399 . 1 1 91 91 GLY N N 15 104.457 0.100 . 1 . . . . A 91 GLY N . 19699 1 400 . 1 1 92 92 PHE H H 1 7.038 0.020 . 1 . . . . A 92 PHE H . 19699 1 401 . 1 1 92 92 PHE C C 13 173.925 0.060 . 1 . . . . A 92 PHE C . 19699 1 402 . 1 1 92 92 PHE CA C 13 56.773 0.060 . 1 . . . . A 92 PHE CA . 19699 1 403 . 1 1 92 92 PHE CB C 13 42.583 0.060 . 1 . . . . A 92 PHE CB . 19699 1 404 . 1 1 92 92 PHE N N 15 117.903 0.100 . 1 . . . . A 92 PHE N . 19699 1 405 . 1 1 93 93 GLN H H 1 8.716 0.020 . 1 . . . . A 93 GLN H . 19699 1 406 . 1 1 93 93 GLN C C 13 173.550 0.060 . 1 . . . . A 93 GLN C . 19699 1 407 . 1 1 93 93 GLN CA C 13 53.751 0.060 . 1 . . . . A 93 GLN CA . 19699 1 408 . 1 1 93 93 GLN CB C 13 33.893 0.060 . 1 . . . . A 93 GLN CB . 19699 1 409 . 1 1 93 93 GLN N N 15 123.497 0.100 . 1 . . . . A 93 GLN N . 19699 1 410 . 1 1 94 94 VAL H H 1 9.180 0.020 . 1 . . . . A 94 VAL H . 19699 1 411 . 1 1 94 94 VAL C C 13 176.502 0.060 . 1 . . . . A 94 VAL C . 19699 1 412 . 1 1 94 94 VAL CA C 13 61.531 0.060 . 1 . . . . A 94 VAL CA . 19699 1 413 . 1 1 94 94 VAL CB C 13 32.147 0.060 . 1 . . . . A 94 VAL CB . 19699 1 414 . 1 1 94 94 VAL N N 15 130.740 0.100 . 1 . . . . A 94 VAL N . 19699 1 415 . 1 1 95 95 ASP H H 1 8.397 0.020 . 1 . . . . A 95 ASP H . 19699 1 416 . 1 1 95 95 ASP C C 13 175.655 0.060 . 1 . . . . A 95 ASP C . 19699 1 417 . 1 1 95 95 ASP CA C 13 54.302 0.060 . 1 . . . . A 95 ASP CA . 19699 1 418 . 1 1 95 95 ASP CB C 13 40.101 0.060 . 1 . . . . A 95 ASP CB . 19699 1 419 . 1 1 95 95 ASP N N 15 128.925 0.100 . 1 . . . . A 95 ASP N . 19699 1 420 . 1 1 96 96 ASN H H 1 8.367 0.020 . 1 . . . . A 96 ASN H . 19699 1 421 . 1 1 96 96 ASN C C 13 176.193 0.060 . 1 . . . . A 96 ASN C . 19699 1 422 . 1 1 96 96 ASN CA C 13 51.702 0.060 . 1 . . . . A 96 ASN CA . 19699 1 423 . 1 1 96 96 ASN CB C 13 38.784 0.060 . 1 . . . . A 96 ASN CB . 19699 1 424 . 1 1 96 96 ASN N N 15 126.934 0.100 . 1 . . . . A 96 ASN N . 19699 1 425 . 1 1 97 97 SER H H 1 8.645 0.020 . 1 . . . . A 97 SER H . 19699 1 426 . 1 1 97 97 SER C C 13 176.522 0.060 . 1 . . . . A 97 SER C . 19699 1 427 . 1 1 97 97 SER CA C 13 58.237 0.060 . 1 . . . . A 97 SER CA . 19699 1 428 . 1 1 97 97 SER CB C 13 63.473 0.060 . 1 . . . . A 97 SER CB . 19699 1 429 . 1 1 97 97 SER N N 15 117.606 0.100 . 1 . . . . A 97 SER N . 19699 1 430 . 1 1 98 98 THR H H 1 8.722 0.020 . 1 . . . . A 98 THR H . 19699 1 431 . 1 1 98 98 THR C C 13 175.591 0.060 . 1 . . . . A 98 THR C . 19699 1 432 . 1 1 98 98 THR CA C 13 61.477 0.060 . 1 . . . . A 98 THR CA . 19699 1 433 . 1 1 98 98 THR CB C 13 68.670 0.060 . 1 . . . . A 98 THR CB . 19699 1 434 . 1 1 98 98 THR N N 15 115.391 0.100 . 1 . . . . A 98 THR N . 19699 1 435 . 1 1 99 99 ASP H H 1 8.326 0.020 . 1 . . . . A 99 ASP H . 19699 1 436 . 1 1 99 99 ASP C C 13 176.485 0.060 . 1 . . . . A 99 ASP C . 19699 1 437 . 1 1 99 99 ASP CA C 13 54.177 0.060 . 1 . . . . A 99 ASP CA . 19699 1 438 . 1 1 99 99 ASP CB C 13 42.256 0.060 . 1 . . . . A 99 ASP CB . 19699 1 439 . 1 1 99 99 ASP N N 15 120.196 0.100 . 1 . . . . A 99 ASP N . 19699 1 440 . 1 1 100 100 ASN H H 1 7.905 0.020 . 1 . . . . A 100 ASN H . 19699 1 441 . 1 1 100 100 ASN C C 13 176.916 0.060 . 1 . . . . A 100 ASN C . 19699 1 442 . 1 1 100 100 ASN CA C 13 52.768 0.060 . 1 . . . . A 100 ASN CA . 19699 1 443 . 1 1 100 100 ASN CB C 13 37.948 0.060 . 1 . . . . A 100 ASN CB . 19699 1 444 . 1 1 100 100 ASN N N 15 118.377 0.100 . 1 . . . . A 100 ASN N . 19699 1 445 . 1 1 101 101 GLY H H 1 8.450 0.020 . 1 . . . . A 101 GLY H . 19699 1 446 . 1 1 101 101 GLY C C 13 173.824 0.060 . 1 . . . . A 101 GLY C . 19699 1 447 . 1 1 101 101 GLY CA C 13 45.458 0.060 . 1 . . . . A 101 GLY CA . 19699 1 448 . 1 1 101 101 GLY N N 15 110.470 0.100 . 1 . . . . A 101 GLY N . 19699 1 449 . 1 1 102 102 ASN H H 1 8.707 0.020 . 1 . . . . A 102 ASN H . 19699 1 450 . 1 1 102 102 ASN C C 13 174.402 0.060 . 1 . . . . A 102 ASN C . 19699 1 451 . 1 1 102 102 ASN CA C 13 51.446 0.060 . 1 . . . . A 102 ASN CA . 19699 1 452 . 1 1 102 102 ASN CB C 13 40.494 0.060 . 1 . . . . A 102 ASN CB . 19699 1 453 . 1 1 102 102 ASN N N 15 121.816 0.100 . 1 . . . . A 102 ASN N . 19699 1 454 . 1 1 103 103 GLY H H 1 7.977 0.020 . 1 . . . . A 103 GLY H . 19699 1 455 . 1 1 103 103 GLY C C 13 174.814 0.060 . 1 . . . . A 103 GLY C . 19699 1 456 . 1 1 103 103 GLY CA C 13 47.206 0.060 . 1 . . . . A 103 GLY CA . 19699 1 457 . 1 1 103 103 GLY N N 15 108.784 0.100 . 1 . . . . A 103 GLY N . 19699 1 458 . 1 1 104 104 GLY H H 1 8.589 0.020 . 1 . . . . A 104 GLY H . 19699 1 459 . 1 1 104 104 GLY C C 13 174.470 0.060 . 1 . . . . A 104 GLY C . 19699 1 460 . 1 1 104 104 GLY CA C 13 45.274 0.060 . 1 . . . . A 104 GLY CA . 19699 1 461 . 1 1 104 104 GLY N N 15 114.736 0.100 . 1 . . . . A 104 GLY N . 19699 1 462 . 1 1 105 105 ASN H H 1 7.561 0.020 . 1 . . . . A 105 ASN H . 19699 1 463 . 1 1 105 105 ASN C C 13 171.914 0.060 . 1 . . . . A 105 ASN C . 19699 1 464 . 1 1 105 105 ASN CA C 13 52.052 0.060 . 1 . . . . A 105 ASN CA . 19699 1 465 . 1 1 105 105 ASN CB C 13 36.579 0.060 . 1 . . . . A 105 ASN CB . 19699 1 466 . 1 1 105 105 ASN N N 15 120.001 0.100 . 1 . . . . A 105 ASN N . 19699 1 467 . 1 1 106 106 LEU H H 1 7.775 0.020 . 1 . . . . A 106 LEU H . 19699 1 468 . 1 1 106 106 LEU C C 13 175.196 0.060 . 1 . . . . A 106 LEU C . 19699 1 469 . 1 1 106 106 LEU CA C 13 52.957 0.060 . 1 . . . . A 106 LEU CA . 19699 1 470 . 1 1 106 106 LEU CB C 13 41.741 0.060 . 1 . . . . A 106 LEU CB . 19699 1 471 . 1 1 106 106 LEU N N 15 122.396 0.100 . 1 . . . . A 106 LEU N . 19699 1 472 . 1 1 107 107 TYR H H 1 9.210 0.020 . 1 . . . . A 107 TYR H . 19699 1 473 . 1 1 107 107 TYR C C 13 175.955 0.060 . 1 . . . . A 107 TYR C . 19699 1 474 . 1 1 107 107 TYR CA C 13 55.879 0.060 . 1 . . . . A 107 TYR CA . 19699 1 475 . 1 1 107 107 TYR CB C 13 39.562 0.060 . 1 . . . . A 107 TYR CB . 19699 1 476 . 1 1 107 107 TYR N N 15 123.722 0.100 . 1 . . . . A 107 TYR N . 19699 1 477 . 1 1 108 108 VAL H H 1 8.991 0.020 . 1 . . . . A 108 VAL H . 19699 1 478 . 1 1 108 108 VAL C C 13 177.065 0.060 . 1 . . . . A 108 VAL C . 19699 1 479 . 1 1 108 108 VAL CA C 13 60.035 0.060 . 1 . . . . A 108 VAL CA . 19699 1 480 . 1 1 108 108 VAL CB C 13 32.041 0.060 . 1 . . . . A 108 VAL CB . 19699 1 481 . 1 1 108 108 VAL N N 15 121.472 0.100 . 1 . . . . A 108 VAL N . 19699 1 482 . 1 1 109 109 TYR H H 1 9.242 0.020 . 1 . . . . A 109 TYR H . 19699 1 483 . 1 1 109 109 TYR CA C 13 57.187 0.060 . 1 . . . . A 109 TYR CA . 19699 1 484 . 1 1 109 109 TYR CB C 13 37.223 0.060 . 1 . . . . A 109 TYR CB . 19699 1 485 . 1 1 109 109 TYR N N 15 129.064 0.100 . 1 . . . . A 109 TYR N . 19699 1 486 . 1 1 110 110 PRO C C 13 176.067 0.060 . 1 . . . . A 110 PRO C . 19699 1 487 . 1 1 111 111 ASN H H 1 8.031 0.020 . 1 . . . . A 111 ASN H . 19699 1 488 . 1 1 111 111 ASN C C 13 175.296 0.060 . 1 . . . . A 111 ASN C . 19699 1 489 . 1 1 111 111 ASN CA C 13 52.972 0.060 . 1 . . . . A 111 ASN CA . 19699 1 490 . 1 1 111 111 ASN CB C 13 36.505 0.060 . 1 . . . . A 111 ASN CB . 19699 1 491 . 1 1 111 111 ASN N N 15 112.749 0.100 . 1 . . . . A 111 ASN N . 19699 1 492 . 1 1 112 112 ALA H H 1 7.678 0.020 . 1 . . . . A 112 ALA H . 19699 1 493 . 1 1 112 112 ALA C C 13 178.295 0.060 . 1 . . . . A 112 ALA C . 19699 1 494 . 1 1 112 112 ALA CA C 13 52.211 0.060 . 1 . . . . A 112 ALA CA . 19699 1 495 . 1 1 112 112 ALA CB C 13 18.690 0.060 . 1 . . . . A 112 ALA CB . 19699 1 496 . 1 1 112 112 ALA N N 15 124.990 0.100 . 1 . . . . A 112 ALA N . 19699 1 497 . 1 1 113 113 THR H H 1 8.530 0.020 . 1 . . . . A 113 THR H . 19699 1 498 . 1 1 113 113 THR C C 13 175.601 0.060 . 1 . . . . A 113 THR C . 19699 1 499 . 1 1 113 113 THR CA C 13 63.391 0.060 . 1 . . . . A 113 THR CA . 19699 1 500 . 1 1 113 113 THR CB C 13 69.220 0.060 . 1 . . . . A 113 THR CB . 19699 1 501 . 1 1 113 113 THR N N 15 116.898 0.100 . 1 . . . . A 113 THR N . 19699 1 502 . 1 1 114 114 THR H H 1 8.530 0.020 . 1 . . . . A 114 THR H . 19699 1 503 . 1 1 114 114 THR C C 13 175.178 0.060 . 1 . . . . A 114 THR C . 19699 1 504 . 1 1 114 114 THR CA C 13 63.941 0.060 . 1 . . . . A 114 THR CA . 19699 1 505 . 1 1 114 114 THR CB C 13 68.628 0.060 . 1 . . . . A 114 THR CB . 19699 1 506 . 1 1 114 114 THR N N 15 122.908 0.100 . 1 . . . . A 114 THR N . 19699 1 507 . 1 1 115 115 GLY H H 1 8.822 0.020 . 1 . . . . A 115 GLY H . 19699 1 508 . 1 1 115 115 GLY C C 13 175.853 0.060 . 1 . . . . A 115 GLY C . 19699 1 509 . 1 1 115 115 GLY CA C 13 45.060 0.060 . 1 . . . . A 115 GLY CA . 19699 1 510 . 1 1 115 115 GLY N N 15 114.662 0.100 . 1 . . . . A 115 GLY N . 19699 1 511 . 1 1 116 116 SER H H 1 8.138 0.020 . 1 . . . . A 116 SER H . 19699 1 512 . 1 1 116 116 SER C C 13 176.740 0.060 . 1 . . . . A 116 SER C . 19699 1 513 . 1 1 116 116 SER CA C 13 61.370 0.060 . 1 . . . . A 116 SER CA . 19699 1 514 . 1 1 116 116 SER CB C 13 62.652 0.060 . 1 . . . . A 116 SER CB . 19699 1 515 . 1 1 116 116 SER N N 15 118.029 0.100 . 1 . . . . A 116 SER N . 19699 1 516 . 1 1 117 117 ALA H H 1 8.787 0.020 . 1 . . . . A 117 ALA H . 19699 1 517 . 1 1 117 117 ALA C C 13 178.629 0.060 . 1 . . . . A 117 ALA C . 19699 1 518 . 1 1 117 117 ALA CA C 13 54.730 0.060 . 1 . . . . A 117 ALA CA . 19699 1 519 . 1 1 117 117 ALA CB C 13 17.293 0.060 . 1 . . . . A 117 ALA CB . 19699 1 520 . 1 1 117 117 ALA N N 15 124.981 0.100 . 1 . . . . A 117 ALA N . 19699 1 521 . 1 1 118 118 ASP H H 1 7.937 0.020 . 1 . . . . A 118 ASP H . 19699 1 522 . 1 1 118 118 ASP C C 13 176.339 0.060 . 1 . . . . A 118 ASP C . 19699 1 523 . 1 1 118 118 ASP CA C 13 55.247 0.060 . 1 . . . . A 118 ASP CA . 19699 1 524 . 1 1 118 118 ASP CB C 13 40.254 0.060 . 1 . . . . A 118 ASP CB . 19699 1 525 . 1 1 118 118 ASP N N 15 115.338 0.100 . 1 . . . . A 118 ASP N . 19699 1 526 . 1 1 119 119 SER H H 1 7.831 0.020 . 1 . . . . A 119 SER H . 19699 1 527 . 1 1 119 119 SER C C 13 173.992 0.060 . 1 . . . . A 119 SER C . 19699 1 528 . 1 1 119 119 SER CA C 13 57.490 0.060 . 1 . . . . A 119 SER CA . 19699 1 529 . 1 1 119 119 SER CB C 13 64.406 0.060 . 1 . . . . A 119 SER CB . 19699 1 530 . 1 1 119 119 SER N N 15 115.239 0.100 . 1 . . . . A 119 SER N . 19699 1 531 . 1 1 120 120 VAL H H 1 7.360 0.020 . 1 . . . . A 120 VAL H . 19699 1 532 . 1 1 120 120 VAL C C 13 175.395 0.060 . 1 . . . . A 120 VAL C . 19699 1 533 . 1 1 120 120 VAL CA C 13 62.132 0.060 . 1 . . . . A 120 VAL CA . 19699 1 534 . 1 1 120 120 VAL CB C 13 31.292 0.060 . 1 . . . . A 120 VAL CB . 19699 1 535 . 1 1 120 120 VAL N N 15 124.259 0.100 . 1 . . . . A 120 VAL N . 19699 1 536 . 1 1 121 121 ARG H H 1 9.752 0.020 . 1 . . . . A 121 ARG H . 19699 1 537 . 1 1 121 121 ARG C C 13 174.280 0.060 . 1 . . . . A 121 ARG C . 19699 1 538 . 1 1 121 121 ARG CA C 13 55.023 0.060 . 1 . . . . A 121 ARG CA . 19699 1 539 . 1 1 121 121 ARG CB C 13 33.303 0.060 . 1 . . . . A 121 ARG CB . 19699 1 540 . 1 1 121 121 ARG N N 15 129.213 0.100 . 1 . . . . A 121 ARG N . 19699 1 541 . 1 1 122 122 CYS H H 1 8.568 0.020 . 1 . . . . A 122 CYS H . 19699 1 542 . 1 1 122 122 CYS C C 13 174.282 0.060 . 1 . . . . A 122 CYS C . 19699 1 543 . 1 1 122 122 CYS CA C 13 54.809 0.060 . 1 . . . . A 122 CYS CA . 19699 1 544 . 1 1 122 122 CYS CB C 13 46.263 0.060 . 1 . . . . A 122 CYS CB . 19699 1 545 . 1 1 122 122 CYS N N 15 119.036 0.100 . 1 . . . . A 122 CYS N . 19699 1 546 . 1 1 123 123 ARG H H 1 9.099 0.020 . 1 . . . . A 123 ARG H . 19699 1 547 . 1 1 123 123 ARG C C 13 175.100 0.060 . 1 . . . . A 123 ARG C . 19699 1 548 . 1 1 123 123 ARG CA C 13 55.158 0.060 . 1 . . . . A 123 ARG CA . 19699 1 549 . 1 1 123 123 ARG CB C 13 30.910 0.060 . 1 . . . . A 123 ARG CB . 19699 1 550 . 1 1 123 123 ARG N N 15 124.532 0.100 . 1 . . . . A 123 ARG N . 19699 1 551 . 1 1 124 124 LEU H H 1 10.076 0.020 . 1 . . . . A 124 LEU H . 19699 1 552 . 1 1 124 124 LEU C C 13 173.758 0.060 . 1 . . . . A 124 LEU C . 19699 1 553 . 1 1 124 124 LEU N N 15 132.168 0.100 . 1 . . . . A 124 LEU N . 19699 1 554 . 1 1 125 125 ARG H H 1 9.086 0.020 . 1 . . . . A 125 ARG H . 19699 1 555 . 1 1 125 125 ARG C C 13 175.505 0.060 . 1 . . . . A 125 ARG C . 19699 1 556 . 1 1 125 125 ARG CA C 13 53.601 0.060 . 1 . . . . A 125 ARG CA . 19699 1 557 . 1 1 125 125 ARG CB C 13 30.799 0.060 . 1 . . . . A 125 ARG CB . 19699 1 558 . 1 1 125 125 ARG N N 15 128.271 0.100 . 1 . . . . A 125 ARG N . 19699 1 559 . 1 1 126 126 MET H H 1 9.003 0.020 . 1 . . . . A 126 MET H . 19699 1 560 . 1 1 126 126 MET C C 13 174.911 0.060 . 1 . . . . A 126 MET C . 19699 1 561 . 1 1 126 126 MET CA C 13 54.118 0.060 . 1 . . . . A 126 MET CA . 19699 1 562 . 1 1 126 126 MET CB C 13 33.459 0.060 . 1 . . . . A 126 MET CB . 19699 1 563 . 1 1 126 126 MET N N 15 134.100 0.100 . 1 . . . . A 126 MET N . 19699 1 564 . 1 1 127 127 CYS H H 1 8.849 0.020 . 1 . . . . A 127 CYS H . 19699 1 565 . 1 1 127 127 CYS CA C 13 52.185 0.060 . 1 . . . . A 127 CYS CA . 19699 1 566 . 1 1 127 127 CYS CB C 13 46.262 0.060 . 1 . . . . A 127 CYS CB . 19699 1 567 . 1 1 127 127 CYS N N 15 126.794 0.100 . 1 . . . . A 127 CYS N . 19699 1 568 . 1 1 128 128 PRO C C 13 174.880 0.060 . 1 . . . . A 128 PRO C . 19699 1 569 . 1 1 129 129 TRP H H 1 7.775 0.020 . 1 . . . . A 129 TRP H . 19699 1 570 . 1 1 129 129 TRP C C 13 173.252 0.060 . 1 . . . . A 129 TRP C . 19699 1 571 . 1 1 129 129 TRP CA C 13 55.336 0.060 . 1 . . . . A 129 TRP CA . 19699 1 572 . 1 1 129 129 TRP CB C 13 32.046 0.060 . 1 . . . . A 129 TRP CB . 19699 1 573 . 1 1 129 129 TRP N N 15 118.064 0.100 . 1 . . . . A 129 TRP N . 19699 1 574 . 1 1 130 130 THR H H 1 8.810 0.020 . 1 . . . . A 130 THR H . 19699 1 575 . 1 1 130 130 THR C C 13 172.690 0.060 . 1 . . . . A 130 THR C . 19699 1 576 . 1 1 130 130 THR CA C 13 58.923 0.060 . 1 . . . . A 130 THR CA . 19699 1 577 . 1 1 130 130 THR CB C 13 69.380 0.060 . 1 . . . . A 130 THR CB . 19699 1 578 . 1 1 130 130 THR N N 15 112.900 0.100 . 1 . . . . A 130 THR N . 19699 1 579 . 1 1 131 131 SER H H 1 8.898 0.020 . 1 . . . . A 131 SER H . 19699 1 580 . 1 1 131 131 SER C C 13 174.399 0.060 . 1 . . . . A 131 SER C . 19699 1 581 . 1 1 131 131 SER CA C 13 58.582 0.060 . 1 . . . . A 131 SER CA . 19699 1 582 . 1 1 131 131 SER CB C 13 63.356 0.060 . 1 . . . . A 131 SER CB . 19699 1 583 . 1 1 131 131 SER N N 15 122.448 0.100 . 1 . . . . A 131 SER N . 19699 1 584 . 1 1 132 132 ASN H H 1 8.785 0.020 . 1 . . . . A 132 ASN H . 19699 1 585 . 1 1 132 132 ASN C C 13 175.577 0.060 . 1 . . . . A 132 ASN C . 19699 1 586 . 1 1 132 132 ASN CA C 13 52.167 0.060 . 1 . . . . A 132 ASN CA . 19699 1 587 . 1 1 132 132 ASN CB C 13 38.071 0.060 . 1 . . . . A 132 ASN CB . 19699 1 588 . 1 1 132 132 ASN N N 15 124.196 0.100 . 1 . . . . A 132 ASN N . 19699 1 589 . 1 1 133 133 SER H H 1 8.580 0.020 . 1 . . . . A 133 SER H . 19699 1 590 . 1 1 133 133 SER C C 13 174.574 0.060 . 1 . . . . A 133 SER C . 19699 1 591 . 1 1 133 133 SER CA C 13 59.820 0.060 . 1 . . . . A 133 SER CA . 19699 1 592 . 1 1 133 133 SER CB C 13 62.342 0.060 . 1 . . . . A 133 SER CB . 19699 1 593 . 1 1 133 133 SER N N 15 120.691 0.100 . 1 . . . . A 133 SER N . 19699 1 594 . 1 1 134 134 LYS H H 1 7.904 0.020 . 1 . . . . A 134 LYS H . 19699 1 595 . 1 1 134 134 LYS C C 13 176.698 0.060 . 1 . . . . A 134 LYS C . 19699 1 596 . 1 1 134 134 LYS CA C 13 55.687 0.060 . 1 . . . . A 134 LYS CA . 19699 1 597 . 1 1 134 134 LYS CB C 13 31.360 0.060 . 1 . . . . A 134 LYS CB . 19699 1 598 . 1 1 134 134 LYS N N 15 119.450 0.100 . 1 . . . . A 134 LYS N . 19699 1 599 . 1 1 135 135 MET H H 1 7.343 0.020 . 1 . . . . A 135 MET H . 19699 1 600 . 1 1 135 135 MET C C 13 175.354 0.060 . 1 . . . . A 135 MET C . 19699 1 601 . 1 1 135 135 MET CA C 13 55.498 0.060 . 1 . . . . A 135 MET CA . 19699 1 602 . 1 1 135 135 MET CB C 13 33.295 0.060 . 1 . . . . A 135 MET CB . 19699 1 603 . 1 1 135 135 MET N N 15 121.695 0.100 . 1 . . . . A 135 MET N . 19699 1 604 . 1 1 136 136 THR H H 1 8.633 0.020 . 1 . . . . A 136 THR H . 19699 1 605 . 1 1 136 136 THR C C 13 173.806 0.060 . 1 . . . . A 136 THR C . 19699 1 606 . 1 1 136 136 THR CA C 13 61.228 0.060 . 1 . . . . A 136 THR CA . 19699 1 607 . 1 1 136 136 THR CB C 13 69.201 0.060 . 1 . . . . A 136 THR CB . 19699 1 608 . 1 1 136 136 THR N N 15 114.220 0.100 . 1 . . . . A 136 THR N . 19699 1 609 . 1 1 137 137 ALA H H 1 7.637 0.020 . 1 . . . . A 137 ALA H . 19699 1 610 . 1 1 137 137 ALA C C 13 173.600 0.060 . 1 . . . . A 137 ALA C . 19699 1 611 . 1 1 137 137 ALA CA C 13 49.842 0.060 . 1 . . . . A 137 ALA CA . 19699 1 612 . 1 1 137 137 ALA CB C 13 19.128 0.060 . 1 . . . . A 137 ALA CB . 19699 1 613 . 1 1 137 137 ALA N N 15 125.205 0.100 . 1 . . . . A 137 ALA N . 19699 1 614 . 1 1 138 138 PRO C C 13 175.117 0.060 . 1 . . . . A 138 PRO C . 19699 1 615 . 1 1 139 139 ASP H H 1 7.299 0.020 . 1 . . . . A 139 ASP H . 19699 1 616 . 1 1 139 139 ASP C C 13 174.966 0.060 . 1 . . . . A 139 ASP C . 19699 1 617 . 1 1 139 139 ASP CA C 13 51.577 0.060 . 1 . . . . A 139 ASP CA . 19699 1 618 . 1 1 139 139 ASP CB C 13 40.743 0.060 . 1 . . . . A 139 ASP CB . 19699 1 619 . 1 1 139 139 ASP N N 15 121.528 0.100 . 1 . . . . A 139 ASP N . 19699 1 620 . 1 1 140 140 GLU H H 1 8.524 0.020 . 1 . . . . A 140 GLU H . 19699 1 621 . 1 1 140 140 GLU C C 13 178.914 0.060 . 1 . . . . A 140 GLU C . 19699 1 622 . 1 1 140 140 GLU CA C 13 59.806 0.060 . 1 . . . . A 140 GLU CA . 19699 1 623 . 1 1 140 140 GLU CB C 13 28.518 0.060 . 1 . . . . A 140 GLU CB . 19699 1 624 . 1 1 140 140 GLU N N 15 118.631 0.100 . 1 . . . . A 140 GLU N . 19699 1 625 . 1 1 141 141 GLU H H 1 8.116 0.020 . 1 . . . . A 141 GLU H . 19699 1 626 . 1 1 141 141 GLU C C 13 178.162 0.060 . 1 . . . . A 141 GLU C . 19699 1 627 . 1 1 141 141 GLU CA C 13 58.649 0.060 . 1 . . . . A 141 GLU CA . 19699 1 628 . 1 1 141 141 GLU CB C 13 28.407 0.060 . 1 . . . . A 141 GLU CB . 19699 1 629 . 1 1 141 141 GLU N N 15 119.900 0.100 . 1 . . . . A 141 GLU N . 19699 1 630 . 1 1 142 142 MET H H 1 7.989 0.020 . 1 . . . . A 142 MET H . 19699 1 631 . 1 1 142 142 MET C C 13 178.689 0.060 . 1 . . . . A 142 MET C . 19699 1 632 . 1 1 142 142 MET CA C 13 59.370 0.060 . 1 . . . . A 142 MET CA . 19699 1 633 . 1 1 142 142 MET CB C 13 33.252 0.060 . 1 . . . . A 142 MET CB . 19699 1 634 . 1 1 142 142 MET N N 15 121.303 0.100 . 1 . . . . A 142 MET N . 19699 1 635 . 1 1 143 143 LEU H H 1 8.485 0.020 . 1 . . . . A 143 LEU H . 19699 1 636 . 1 1 143 143 LEU C C 13 180.619 0.060 . 1 . . . . A 143 LEU C . 19699 1 637 . 1 1 143 143 LEU CA C 13 57.813 0.060 . 1 . . . . A 143 LEU CA . 19699 1 638 . 1 1 143 143 LEU CB C 13 40.269 0.060 . 1 . . . . A 143 LEU CB . 19699 1 639 . 1 1 143 143 LEU N N 15 117.901 0.100 . 1 . . . . A 143 LEU N . 19699 1 640 . 1 1 144 144 ARG H H 1 7.900 0.020 . 1 . . . . A 144 ARG H . 19699 1 641 . 1 1 144 144 ARG C C 13 180.648 0.060 . 1 . . . . A 144 ARG C . 19699 1 642 . 1 1 144 144 ARG CA C 13 59.250 0.060 . 1 . . . . A 144 ARG CA . 19699 1 643 . 1 1 144 144 ARG CB C 13 28.925 0.060 . 1 . . . . A 144 ARG CB . 19699 1 644 . 1 1 144 144 ARG N N 15 120.175 0.100 . 1 . . . . A 144 ARG N . 19699 1 645 . 1 1 145 145 LYS H H 1 7.850 0.020 . 1 . . . . A 145 LYS H . 19699 1 646 . 1 1 145 145 LYS C C 13 178.813 0.060 . 1 . . . . A 145 LYS C . 19699 1 647 . 1 1 145 145 LYS CA C 13 58.624 0.060 . 1 . . . . A 145 LYS CA . 19699 1 648 . 1 1 145 145 LYS CB C 13 32.063 0.060 . 1 . . . . A 145 LYS CB . 19699 1 649 . 1 1 145 145 LYS N N 15 119.936 0.100 . 1 . . . . A 145 LYS N . 19699 1 650 . 1 1 146 146 MET H H 1 7.776 0.020 . 1 . . . . A 146 MET H . 19699 1 651 . 1 1 146 146 MET C C 13 176.094 0.060 . 1 . . . . A 146 MET C . 19699 1 652 . 1 1 146 146 MET CA C 13 55.267 0.060 . 1 . . . . A 146 MET CA . 19699 1 653 . 1 1 146 146 MET CB C 13 32.898 0.060 . 1 . . . . A 146 MET CB . 19699 1 654 . 1 1 146 146 MET N N 15 115.986 0.100 . 1 . . . . A 146 MET N . 19699 1 655 . 1 1 147 147 SER H H 1 7.430 0.020 . 1 . . . . A 147 SER H . 19699 1 656 . 1 1 147 147 SER C C 13 175.114 0.060 . 1 . . . . A 147 SER C . 19699 1 657 . 1 1 147 147 SER CA C 13 62.736 0.060 . 1 . . . . A 147 SER CA . 19699 1 658 . 1 1 147 147 SER CB C 13 62.105 0.060 . 1 . . . . A 147 SER CB . 19699 1 659 . 1 1 147 147 SER N N 15 119.679 0.100 . 1 . . . . A 147 SER N . 19699 1 660 . 1 1 148 148 GLU H H 1 9.216 0.020 . 1 . . . . A 148 GLU H . 19699 1 661 . 1 1 148 148 GLU C C 13 179.313 0.060 . 1 . . . . A 148 GLU C . 19699 1 662 . 1 1 148 148 GLU CA C 13 59.075 0.060 . 1 . . . . A 148 GLU CA . 19699 1 663 . 1 1 148 148 GLU CB C 13 29.538 0.060 . 1 . . . . A 148 GLU CB . 19699 1 664 . 1 1 148 148 GLU N N 15 117.968 0.100 . 1 . . . . A 148 GLU N . 19699 1 665 . 1 1 149 149 VAL H H 1 7.325 0.020 . 1 . . . . A 149 VAL H . 19699 1 666 . 1 1 149 149 VAL C C 13 176.790 0.060 . 1 . . . . A 149 VAL C . 19699 1 667 . 1 1 149 149 VAL CA C 13 63.864 0.060 . 1 . . . . A 149 VAL CA . 19699 1 668 . 1 1 149 149 VAL N N 15 115.349 0.100 . 1 . . . . A 149 VAL N . 19699 1 669 . 1 1 150 150 LEU H H 1 7.387 0.020 . 1 . . . . A 150 LEU H . 19699 1 670 . 1 1 150 150 LEU C C 13 178.010 0.060 . 1 . . . . A 150 LEU C . 19699 1 671 . 1 1 150 150 LEU CA C 13 57.209 0.060 . 1 . . . . A 150 LEU CA . 19699 1 672 . 1 1 150 150 LEU CB C 13 39.426 0.060 . 1 . . . . A 150 LEU CB . 19699 1 673 . 1 1 150 150 LEU N N 15 119.724 0.100 . 1 . . . . A 150 LEU N . 19699 1 674 . 1 1 151 151 ASN H H 1 7.593 0.020 . 1 . . . . A 151 ASN H . 19699 1 675 . 1 1 151 151 ASN C C 13 176.682 0.060 . 1 . . . . A 151 ASN C . 19699 1 676 . 1 1 151 151 ASN CA C 13 53.090 0.060 . 1 . . . . A 151 ASN CA . 19699 1 677 . 1 1 151 151 ASN CB C 13 38.296 0.060 . 1 . . . . A 151 ASN CB . 19699 1 678 . 1 1 151 151 ASN N N 15 112.853 0.100 . 1 . . . . A 151 ASN N . 19699 1 679 . 1 1 152 152 LEU H H 1 7.193 0.020 . 1 . . . . A 152 LEU H . 19699 1 680 . 1 1 152 152 LEU CA C 13 53.453 0.060 . 1 . . . . A 152 LEU CA . 19699 1 681 . 1 1 152 152 LEU CB C 13 39.589 0.060 . 1 . . . . A 152 LEU CB . 19699 1 682 . 1 1 152 152 LEU N N 15 122.057 0.100 . 1 . . . . A 152 LEU N . 19699 1 683 . 1 1 153 153 PRO C C 13 177.670 0.060 . 1 . . . . A 153 PRO C . 19699 1 684 . 1 1 154 154 ASN H H 1 8.824 0.020 . 1 . . . . A 154 ASN H . 19699 1 685 . 1 1 154 154 ASN C C 13 176.786 0.060 . 1 . . . . A 154 ASN C . 19699 1 686 . 1 1 154 154 ASN CA C 13 52.757 0.060 . 1 . . . . A 154 ASN CA . 19699 1 687 . 1 1 154 154 ASN CB C 13 37.829 0.060 . 1 . . . . A 154 ASN CB . 19699 1 688 . 1 1 154 154 ASN N N 15 121.894 0.100 . 1 . . . . A 154 ASN N . 19699 1 689 . 1 1 155 155 TYR H H 1 8.245 0.020 . 1 . . . . A 155 TYR H . 19699 1 690 . 1 1 155 155 TYR C C 13 173.048 0.060 . 1 . . . . A 155 TYR C . 19699 1 691 . 1 1 155 155 TYR CA C 13 55.723 0.060 . 1 . . . . A 155 TYR CA . 19699 1 692 . 1 1 155 155 TYR CB C 13 39.711 0.060 . 1 . . . . A 155 TYR CB . 19699 1 693 . 1 1 155 155 TYR N N 15 124.386 0.100 . 1 . . . . A 155 TYR N . 19699 1 694 . 1 1 156 156 GLY H H 1 8.363 0.020 . 1 . . . . A 156 GLY H . 19699 1 695 . 1 1 156 156 GLY C C 13 174.671 0.060 . 1 . . . . A 156 GLY C . 19699 1 696 . 1 1 156 156 GLY CA C 13 46.317 0.060 . 1 . . . . A 156 GLY CA . 19699 1 697 . 1 1 156 156 GLY N N 15 113.629 0.100 . 1 . . . . A 156 GLY N . 19699 1 stop_ save_