data_17604 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17604 _Entry.Title ; Solution Structure of a Minor and Transiently Formed State of a T4 Lysozyme Mutant ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2011-04-26 _Entry.Accession_date 2011-04-26 _Entry.Last_release_date 2011-04-29 _Entry.Original_release_date 2011-04-29 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.1.32 _Entry.NMR_STAR_dict_location . _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 'T4 Lysozyme L99A Excited State Structure' _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 Guillaume Bouvignies . . . . 17604 2 Pramodh Vallurupalli . . . . 17604 3 'D. Flemming' Hansen . . . . 17604 4 Bruno Correia . . . . 17604 5 Oliver Lange . . . . 17604 6 Alaji Bah . . . . 17604 7 Robert Vernon . M. . . 17604 8 Frederick Dahlquist . W. . . 17604 9 David Baker . . . . 17604 10 Lewis Kay . E. . . 17604 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' . 17604 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'Excited State' . 17604 'T4 Lysozyme L99A' . 17604 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17604 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 248 17604 '15N chemical shifts' 158 17604 '1H chemical shifts' 262 17604 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2012-03-08 2011-04-26 update BMRB 'update entry citation' 17604 1 . . 2011-06-01 2011-04-26 original author 'original release' 17604 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 17603 T4_L99A/G113A/R119P 17604 PDB 2LCB 'BMRB Entry Tracking System' 17604 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 17604 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 21857680 _Citation.Full_citation . _Citation.Title ; Solution structure of a minor and transiently formed state of a T4 lysozyme mutant. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Nature _Citation.Journal_name_full Nature _Citation.Journal_volume 477 _Citation.Journal_issue 7362 _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 111 _Citation.Page_last 114 _Citation.Year 2011 _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 Guillaume Bouvignies . . . . 17604 1 2 Pramodh Vallurupalli . . . . 17604 1 3 'D. Flemming' Hansen . . . . 17604 1 4 Bruno Correia . E. . . 17604 1 5 Oliver Lange . . . . 17604 1 6 Alaji Bah . . . . 17604 1 7 Robert Vernon . M. . . 17604 1 8 Frederick Dahlquist . W. . . 17604 1 9 David Baker . . . . 17604 1 10 Lewis Kay . E. . . 17604 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17604 _Assembly.ID 1 _Assembly.Name T4_L99A _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 T4_L99A 1 $T4_L99A A . yes native no no . . . 17604 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_T4_L99A _Entity.Sf_category entity _Entity.Sf_framecode T4_L99A _Entity.Entry_ID 17604 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name T4_L99A _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 ; MNIFEMLRIDEGLRLKIYKD TEGYYTIGIGHLLTKSPSLN AAKSELDKAIGRNTNGVITK DEAEKLFNQDVDAAVRGILR NAKLKPVYDSLDAVRRAAAI NMVFQMGETGVAGFTNSLRM LQQKRWDEAAVNLAKSRWYN QTPNRAKRVITTFRTGTWDA YKNL ; _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 164 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation L99A _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 18586.436 _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 . MET . 17604 1 2 . ASN . 17604 1 3 . ILE . 17604 1 4 . PHE . 17604 1 5 . GLU . 17604 1 6 . MET . 17604 1 7 . LEU . 17604 1 8 . ARG . 17604 1 9 . ILE . 17604 1 10 . ASP . 17604 1 11 . GLU . 17604 1 12 . GLY . 17604 1 13 . LEU . 17604 1 14 . ARG . 17604 1 15 . LEU . 17604 1 16 . LYS . 17604 1 17 . ILE . 17604 1 18 . TYR . 17604 1 19 . LYS . 17604 1 20 . ASP . 17604 1 21 . THR . 17604 1 22 . GLU . 17604 1 23 . GLY . 17604 1 24 . TYR . 17604 1 25 . TYR . 17604 1 26 . THR . 17604 1 27 . ILE . 17604 1 28 . GLY . 17604 1 29 . ILE . 17604 1 30 . GLY . 17604 1 31 . HIS . 17604 1 32 . LEU . 17604 1 33 . LEU . 17604 1 34 . THR . 17604 1 35 . LYS . 17604 1 36 . SER . 17604 1 37 . PRO . 17604 1 38 . SER . 17604 1 39 . LEU . 17604 1 40 . ASN . 17604 1 41 . ALA . 17604 1 42 . ALA . 17604 1 43 . LYS . 17604 1 44 . SER . 17604 1 45 . GLU . 17604 1 46 . LEU . 17604 1 47 . ASP . 17604 1 48 . LYS . 17604 1 49 . ALA . 17604 1 50 . ILE . 17604 1 51 . GLY . 17604 1 52 . ARG . 17604 1 53 . ASN . 17604 1 54 . THR . 17604 1 55 . ASN . 17604 1 56 . GLY . 17604 1 57 . VAL . 17604 1 58 . ILE . 17604 1 59 . THR . 17604 1 60 . LYS . 17604 1 61 . ASP . 17604 1 62 . GLU . 17604 1 63 . ALA . 17604 1 64 . GLU . 17604 1 65 . LYS . 17604 1 66 . LEU . 17604 1 67 . PHE . 17604 1 68 . ASN . 17604 1 69 . GLN . 17604 1 70 . ASP . 17604 1 71 . VAL . 17604 1 72 . ASP . 17604 1 73 . ALA . 17604 1 74 . ALA . 17604 1 75 . VAL . 17604 1 76 . ARG . 17604 1 77 . GLY . 17604 1 78 . ILE . 17604 1 79 . LEU . 17604 1 80 . ARG . 17604 1 81 . ASN . 17604 1 82 . ALA . 17604 1 83 . LYS . 17604 1 84 . LEU . 17604 1 85 . LYS . 17604 1 86 . PRO . 17604 1 87 . VAL . 17604 1 88 . TYR . 17604 1 89 . ASP . 17604 1 90 . SER . 17604 1 91 . LEU . 17604 1 92 . ASP . 17604 1 93 . ALA . 17604 1 94 . VAL . 17604 1 95 . ARG . 17604 1 96 . ARG . 17604 1 97 . ALA . 17604 1 98 . ALA . 17604 1 99 . ALA . 17604 1 100 . ILE . 17604 1 101 . ASN . 17604 1 102 . MET . 17604 1 103 . VAL . 17604 1 104 . PHE . 17604 1 105 . GLN . 17604 1 106 . MET . 17604 1 107 . GLY . 17604 1 108 . GLU . 17604 1 109 . THR . 17604 1 110 . GLY . 17604 1 111 . VAL . 17604 1 112 . ALA . 17604 1 113 . GLY . 17604 1 114 . PHE . 17604 1 115 . THR . 17604 1 116 . ASN . 17604 1 117 . SER . 17604 1 118 . LEU . 17604 1 119 . ARG . 17604 1 120 . MET . 17604 1 121 . LEU . 17604 1 122 . GLN . 17604 1 123 . GLN . 17604 1 124 . LYS . 17604 1 125 . ARG . 17604 1 126 . TRP . 17604 1 127 . ASP . 17604 1 128 . GLU . 17604 1 129 . ALA . 17604 1 130 . ALA . 17604 1 131 . VAL . 17604 1 132 . ASN . 17604 1 133 . LEU . 17604 1 134 . ALA . 17604 1 135 . LYS . 17604 1 136 . SER . 17604 1 137 . ARG . 17604 1 138 . TRP . 17604 1 139 . TYR . 17604 1 140 . ASN . 17604 1 141 . GLN . 17604 1 142 . THR . 17604 1 143 . PRO . 17604 1 144 . ASN . 17604 1 145 . ARG . 17604 1 146 . ALA . 17604 1 147 . LYS . 17604 1 148 . ARG . 17604 1 149 . VAL . 17604 1 150 . ILE . 17604 1 151 . THR . 17604 1 152 . THR . 17604 1 153 . PHE . 17604 1 154 . ARG . 17604 1 155 . THR . 17604 1 156 . GLY . 17604 1 157 . THR . 17604 1 158 . TRP . 17604 1 159 . ASP . 17604 1 160 . ALA . 17604 1 161 . TYR . 17604 1 162 . LYS . 17604 1 163 . ASN . 17604 1 164 . LEU . 17604 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 . MET 1 1 17604 1 . ASN 2 2 17604 1 . ILE 3 3 17604 1 . PHE 4 4 17604 1 . GLU 5 5 17604 1 . MET 6 6 17604 1 . LEU 7 7 17604 1 . ARG 8 8 17604 1 . ILE 9 9 17604 1 . ASP 10 10 17604 1 . GLU 11 11 17604 1 . GLY 12 12 17604 1 . LEU 13 13 17604 1 . ARG 14 14 17604 1 . LEU 15 15 17604 1 . LYS 16 16 17604 1 . ILE 17 17 17604 1 . TYR 18 18 17604 1 . LYS 19 19 17604 1 . ASP 20 20 17604 1 . THR 21 21 17604 1 . GLU 22 22 17604 1 . GLY 23 23 17604 1 . TYR 24 24 17604 1 . TYR 25 25 17604 1 . THR 26 26 17604 1 . ILE 27 27 17604 1 . GLY 28 28 17604 1 . ILE 29 29 17604 1 . GLY 30 30 17604 1 . HIS 31 31 17604 1 . LEU 32 32 17604 1 . LEU 33 33 17604 1 . THR 34 34 17604 1 . LYS 35 35 17604 1 . SER 36 36 17604 1 . PRO 37 37 17604 1 . SER 38 38 17604 1 . LEU 39 39 17604 1 . ASN 40 40 17604 1 . ALA 41 41 17604 1 . ALA 42 42 17604 1 . LYS 43 43 17604 1 . SER 44 44 17604 1 . GLU 45 45 17604 1 . LEU 46 46 17604 1 . ASP 47 47 17604 1 . LYS 48 48 17604 1 . ALA 49 49 17604 1 . ILE 50 50 17604 1 . GLY 51 51 17604 1 . ARG 52 52 17604 1 . ASN 53 53 17604 1 . THR 54 54 17604 1 . ASN 55 55 17604 1 . GLY 56 56 17604 1 . VAL 57 57 17604 1 . ILE 58 58 17604 1 . THR 59 59 17604 1 . LYS 60 60 17604 1 . ASP 61 61 17604 1 . GLU 62 62 17604 1 . ALA 63 63 17604 1 . GLU 64 64 17604 1 . LYS 65 65 17604 1 . LEU 66 66 17604 1 . PHE 67 67 17604 1 . ASN 68 68 17604 1 . GLN 69 69 17604 1 . ASP 70 70 17604 1 . VAL 71 71 17604 1 . ASP 72 72 17604 1 . ALA 73 73 17604 1 . ALA 74 74 17604 1 . VAL 75 75 17604 1 . ARG 76 76 17604 1 . GLY 77 77 17604 1 . ILE 78 78 17604 1 . LEU 79 79 17604 1 . ARG 80 80 17604 1 . ASN 81 81 17604 1 . ALA 82 82 17604 1 . LYS 83 83 17604 1 . LEU 84 84 17604 1 . LYS 85 85 17604 1 . PRO 86 86 17604 1 . VAL 87 87 17604 1 . TYR 88 88 17604 1 . ASP 89 89 17604 1 . SER 90 90 17604 1 . LEU 91 91 17604 1 . ASP 92 92 17604 1 . ALA 93 93 17604 1 . VAL 94 94 17604 1 . ARG 95 95 17604 1 . ARG 96 96 17604 1 . ALA 97 97 17604 1 . ALA 98 98 17604 1 . ALA 99 99 17604 1 . ILE 100 100 17604 1 . ASN 101 101 17604 1 . MET 102 102 17604 1 . VAL 103 103 17604 1 . PHE 104 104 17604 1 . GLN 105 105 17604 1 . MET 106 106 17604 1 . GLY 107 107 17604 1 . GLU 108 108 17604 1 . THR 109 109 17604 1 . GLY 110 110 17604 1 . VAL 111 111 17604 1 . ALA 112 112 17604 1 . GLY 113 113 17604 1 . PHE 114 114 17604 1 . THR 115 115 17604 1 . ASN 116 116 17604 1 . SER 117 117 17604 1 . LEU 118 118 17604 1 . ARG 119 119 17604 1 . MET 120 120 17604 1 . LEU 121 121 17604 1 . GLN 122 122 17604 1 . GLN 123 123 17604 1 . LYS 124 124 17604 1 . ARG 125 125 17604 1 . TRP 126 126 17604 1 . ASP 127 127 17604 1 . GLU 128 128 17604 1 . ALA 129 129 17604 1 . ALA 130 130 17604 1 . VAL 131 131 17604 1 . ASN 132 132 17604 1 . LEU 133 133 17604 1 . ALA 134 134 17604 1 . LYS 135 135 17604 1 . SER 136 136 17604 1 . ARG 137 137 17604 1 . TRP 138 138 17604 1 . TYR 139 139 17604 1 . ASN 140 140 17604 1 . GLN 141 141 17604 1 . THR 142 142 17604 1 . PRO 143 143 17604 1 . ASN 144 144 17604 1 . ARG 145 145 17604 1 . ALA 146 146 17604 1 . LYS 147 147 17604 1 . ARG 148 148 17604 1 . VAL 149 149 17604 1 . ILE 150 150 17604 1 . THR 151 151 17604 1 . THR 152 152 17604 1 . PHE 153 153 17604 1 . ARG 154 154 17604 1 . THR 155 155 17604 1 . GLY 156 156 17604 1 . THR 157 157 17604 1 . TRP 158 158 17604 1 . ASP 159 159 17604 1 . ALA 160 160 17604 1 . TYR 161 161 17604 1 . LYS 162 162 17604 1 . ASN 163 163 17604 1 . LEU 164 164 17604 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 17604 _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 $T4_L99A . . virus . 'T4 Phage' 'T4 Phage' . . Viruses . T4 Phage . . . . . . . . . . . . 'T4 Phage Lysozyme L99A' 17604 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 17604 _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 $T4_L99A . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) . . . . . pET-29B . . . 17604 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 17604 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'T4 L99A' '[U-15N; U-2H]' . . 1 $T4_L99A . . 1.5 . . mM . . . . 17604 1 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17604 1 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17604 1 4 NaCl 'natural abundance' . . . . . . 25 . . mM . . . . 17604 1 5 EDTA 'natural abundance' . . . . . . 2 . . mM . . . . 17604 1 6 NaN3 'natural abundance' . . . . . . 2 . . mM . . . . 17604 1 7 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 17604 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 17604 _Sample.ID 2 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'T4 L99A' '[U-13C; U-15N; U-2H]' . . 1 $T4_L99A . . 1.5 . . mM . . . . 17604 2 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17604 2 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17604 2 4 NaCl 'natural abundance' . . . . . . 25 . . mM . . . . 17604 2 5 EDTA 'natural abundance' . . . . . . 2 . . mM . . . . 17604 2 6 NaN3 'natural abundance' . . . . . . 2 . . mM . . . . 17604 2 7 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 17604 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 17604 _Sample.ID 3 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'T4 L99A' '[U-13Ca; U-15N]' . . 1 $T4_L99A . . 1.5 . . mM . . . . 17604 3 2 D2O 'natural abundance' . . . . . . 100 . . % . . . . 17604 3 3 NaCl 'natural abundance' . . . . . . 25 . . mM . . . . 17604 3 4 EDTA 'natural abundance' . . . . . . 2 . . mM . . . . 17604 3 5 NaN3 'natural abundance' . . . . . . 2 . . mM . . . . 17604 3 6 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 17604 3 stop_ save_ save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 17604 _Sample.ID 4 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'T4 L99A' '[U-13C; U-15N; U-50% 2H]' . . 1 $T4_L99A . . 1.5 . . mM . . . . 17604 4 2 D2O 'natural abundance' . . . . . . 100 . . % . . . . 17604 4 3 NaCl 'natural abundance' . . . . . . 25 . . mM . . . . 17604 4 4 EDTA 'natural abundance' . . . . . . 2 . . mM . . . . 17604 4 5 NaN3 'natural abundance' . . . . . . 2 . . mM . . . . 17604 4 6 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 17604 4 stop_ save_ save_sample_5 _Sample.Sf_category sample _Sample.Sf_framecode sample_5 _Sample.Entry_ID 17604 _Sample.ID 5 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'T4 L99A' '[ U-15N] 13CH3 Met' . . 1 $T4_L99A . . 1.5 . . mM . . . . 17604 5 2 D2O 'natural abundance' . . . . . . 100 . . % . . . . 17604 5 3 NaCl 'natural abundance' . . . . . . 25 . . mM . . . . 17604 5 4 EDTA 'natural abundance' . . . . . . 2 . . mM . . . . 17604 5 5 NaN3 'natural abundance' . . . . . . 2 . . mM . . . . 17604 5 6 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 17604 5 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 17604 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _Sample_condition_list.Details '50 mM sodium phosphate, 25 mM NaCl, 2 mM EDTA, 2 mM NaN3 pH 5.5' 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' 85 . mM 17604 1 pH 5.5 . pH 17604 1 pressure 1 . atm 17604 1 temperature 298 . K 17604 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 17604 _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, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 17604 1 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . processing 17604 1 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 17604 _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 . . 17604 2 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'peak picking' 17604 2 stop_ save_ save_FUDA _Software.Sf_category software _Software.Sf_framecode FUDA _Software.Entry_ID 17604 _Software.ID 3 _Software.Type . _Software.Name FuDA _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Flemming Hansen' . . 17604 3 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'Extract Peak intensities' 17604 3 stop_ save_ save_CATIA _Software.Sf_category software _Software.Sf_framecode CATIA _Software.Entry_ID 17604 _Software.ID 4 _Software.Type . _Software.Name CATIA _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Flemming Hansen' . . 17604 4 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'CPMG data analysis' 17604 4 stop_ save_ save_CS-ROSETTA _Software.Sf_category software _Software.Sf_framecode CS-ROSETTA _Software.Entry_ID 17604 _Software.ID 5 _Software.Type . _Software.Name CS-Rosetta _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Yang Shen, Robert Vernon, David Baker and Ad Bax' . . 17604 5 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'structure solution' 17604 5 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 17604 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 17604 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name . _NMR_spectrometer.Details 'Cryo Probe' _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _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 17604 _NMR_spectrometer.ID 3 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 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 17604 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . 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 Varian INOVA . 500 . . . 17604 1 2 spectrometer_2 Varian INOVA . 600 'Cryo Probe' . . 17604 1 3 spectrometer_3 Varian INOVA . 800 . . . 17604 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 17604 _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 '15N CT Trosy CPMG' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17604 1 2 '15N CT Trosy CPMG' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 17604 1 3 '1H CT CPMG' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17604 1 4 '1H CT CPMG' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 17604 1 5 '1H ZQ/DQ CPMG' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17604 1 6 '1H ZQ/DQ CPMG' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 17604 1 7 "13C' CT CPMG" no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17604 1 8 "13C' CT CPMG" no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 17604 1 9 '13Ca CT CPMG' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17604 1 10 '13Ca CT CPMG' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 17604 1 11 '1Ha CT CPMG' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17604 1 12 '1Ha CT CPMG' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 17604 1 13 'Gly 13Ca CT CPMG' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17604 1 14 'Gly 1Ha CT CPMG' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17604 1 15 'Gly 1Ha CT CPMG' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 17604 1 16 '1H-15N ZZ exchange' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17604 1 17 '1H-13C Met ZZ exchange' no . . . . . . . . . . 5 $sample_5 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17604 1 18 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17604 1 19 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 17604 1 20 '2D 1H-15N HMQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17604 1 21 '2D 1H-15N HMQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 17604 1 22 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17604 1 23 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 17604 1 24 '3D MQ HNCO' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17604 1 25 '3D MQ HNCO' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 17604 1 26 '2D 1H-13C HSQC' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17604 1 27 '2D 1H-13C HSQC' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 17604 1 28 '2D 1H-13C HSQC' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17604 1 29 '2D 1H-13C HSQC' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 17604 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 17604 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _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 4.75 internal indirect 0.251449530 . . . . . 17604 1 H 1 water protons . . . . ppm 4.75 internal direct 1.0 . . . . . 17604 1 N 15 water protons . . . . ppm 4.75 internal indirect 0.101329118 . . . . . 17604 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 17604 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.01 _Assigned_chem_shift_list.Chem_shift_13C_err 0.1 _Assigned_chem_shift_list.Chem_shift_15N_err 0.1 _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 'CPMG Fits' _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '15N CT Trosy CPMG' . . . 17604 1 3 '1H CT CPMG' . . . 17604 1 5 '1H ZQ/DQ CPMG' . . . 17604 1 7 "13C' CT CPMG" . . . 17604 1 9 '13Ca CT CPMG' . . . 17604 1 11 '1Ha CT CPMG' . . . 17604 1 13 'Gly 13Ca CT CPMG' . . . 17604 1 14 'Gly 1Ha CT CPMG' . . . 17604 1 18 '2D 1H-15N HSQC' . . . 17604 1 20 '2D 1H-15N HMQC' . . . 17604 1 22 '3D HNCO' . . . 17604 1 24 '3D MQ HNCO' . . . 17604 1 26 '2D 1H-13C HSQC' . . . 17604 1 28 '2D 1H-13C HSQC' . . . 17604 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 MET HA H 1 3.7330 0.01 . 1 . . . . A 1 MET HA . 17604 1 2 . 1 1 1 1 MET CA C 13 53.2940 0.1 . 1 . . . . A 1 MET CA . 17604 1 3 . 1 1 2 2 ASN H H 1 6.8840 0.01 . 1 . . . . A 2 ASN H . 17604 1 4 . 1 1 2 2 ASN HA H 1 4.5110 0.01 . 1 . . . . A 2 ASN HA . 17604 1 5 . 1 1 2 2 ASN CA C 13 52.4250 0.1 . 1 . . . . A 2 ASN CA . 17604 1 6 . 1 1 2 2 ASN N N 15 115.7170 0.1 . 1 . . . . A 2 ASN N . 17604 1 7 . 1 1 3 3 ILE H H 1 8.8910 0.01 . 1 . . . . A 3 ILE H . 17604 1 8 . 1 1 3 3 ILE C C 13 174.0250 0.1 . 1 . . . . A 3 ILE C . 17604 1 9 . 1 1 3 3 ILE N N 15 116.5560 0.1 . 1 . . . . A 3 ILE N . 17604 1 10 . 1 1 4 4 PHE H H 1 7.2950 0.01 . 1 . . . . A 4 PHE H . 17604 1 11 . 1 1 4 4 PHE HA H 1 4.0780 0.01 . 1 . . . . A 4 PHE HA . 17604 1 12 . 1 1 4 4 PHE C C 13 177.1770 0.1 . 1 . . . . A 4 PHE C . 17604 1 13 . 1 1 4 4 PHE CA C 13 60.5990 0.1 . 1 . . . . A 4 PHE CA . 17604 1 14 . 1 1 4 4 PHE N N 15 121.6870 0.1 . 1 . . . . A 4 PHE N . 17604 1 15 . 1 1 5 5 GLU H H 1 7.8860 0.01 . 1 . . . . A 5 GLU H . 17604 1 16 . 1 1 5 5 GLU HA H 1 3.8410 0.01 . 1 . . . . A 5 GLU HA . 17604 1 17 . 1 1 5 5 GLU C C 13 178.2790 0.1 . 1 . . . . A 5 GLU C . 17604 1 18 . 1 1 5 5 GLU CA C 13 58.7760 0.1 . 1 . . . . A 5 GLU CA . 17604 1 19 . 1 1 5 5 GLU N N 15 118.2030 0.1 . 1 . . . . A 5 GLU N . 17604 1 20 . 1 1 6 6 MET HA H 1 3.2430 0.01 . 1 . . . . A 6 MET HA . 17604 1 21 . 1 1 6 6 MET C C 13 177.1160 0.1 . 1 . . . . A 6 MET C . 17604 1 22 . 1 1 6 6 MET CA C 13 58.6520 0.1 . 1 . . . . A 6 MET CA . 17604 1 23 . 1 1 6 6 MET N N 15 118.1750 0.1 . 1 . . . . A 6 MET N . 17604 1 24 . 1 1 7 7 LEU H H 1 8.0290 0.01 . 1 . . . . A 7 LEU H . 17604 1 25 . 1 1 7 7 LEU HA H 1 3.9540 0.01 . 1 . . . . A 7 LEU HA . 17604 1 26 . 1 1 7 7 LEU C C 13 178.5290 0.1 . 1 . . . . A 7 LEU C . 17604 1 27 . 1 1 7 7 LEU N N 15 116.1080 0.1 . 1 . . . . A 7 LEU N . 17604 1 28 . 1 1 8 8 ARG H H 1 8.1210 0.01 . 1 . . . . A 8 ARG H . 17604 1 29 . 1 1 8 8 ARG HA H 1 3.5630 0.01 . 1 . . . . A 8 ARG HA . 17604 1 30 . 1 1 8 8 ARG C C 13 180.1170 0.1 . 1 . . . . A 8 ARG C . 17604 1 31 . 1 1 8 8 ARG N N 15 120.6500 0.1 . 1 . . . . A 8 ARG N . 17604 1 32 . 1 1 9 9 ILE H H 1 7.6190 0.01 . 1 . . . . A 9 ILE H . 17604 1 33 . 1 1 9 9 ILE HA H 1 3.4870 0.01 . 1 . . . . A 9 ILE HA . 17604 1 34 . 1 1 9 9 ILE C C 13 177.3950 0.1 . 1 . . . . A 9 ILE C . 17604 1 35 . 1 1 9 9 ILE N N 15 120.8850 0.1 . 1 . . . . A 9 ILE N . 17604 1 36 . 1 1 10 10 ASP H H 1 8.0120 0.01 . 1 . . . . A 10 ASP H . 17604 1 37 . 1 1 10 10 ASP C C 13 177.8570 0.1 . 1 . . . . A 10 ASP C . 17604 1 38 . 1 1 10 10 ASP CA C 13 58.2620 0.1 . 1 . . . . A 10 ASP CA . 17604 1 39 . 1 1 10 10 ASP N N 15 117.6840 0.1 . 1 . . . . A 10 ASP N . 17604 1 40 . 1 1 11 11 GLU H H 1 8.8370 0.01 . 1 . . . . A 11 GLU H . 17604 1 41 . 1 1 11 11 GLU HA H 1 4.5480 0.01 . 1 . . . . A 11 GLU HA . 17604 1 42 . 1 1 11 11 GLU C C 13 178.2040 0.1 . 1 . . . . A 11 GLU C . 17604 1 43 . 1 1 11 11 GLU CA C 13 55.4070 0.1 . 1 . . . . A 11 GLU CA . 17604 1 44 . 1 1 11 11 GLU N N 15 115.1030 0.1 . 1 . . . . A 11 GLU N . 17604 1 45 . 1 1 12 12 GLY C C 13 170.0410 0.1 . 1 . . . . A 12 GLY C . 17604 1 46 . 1 1 12 12 GLY N N 15 109.2550 0.1 . 1 . . . . A 12 GLY N . 17604 1 47 . 1 1 13 13 LEU H H 1 7.7700 0.01 . 1 . . . . A 13 LEU H . 17604 1 48 . 1 1 13 13 LEU C C 13 175.6090 0.1 . 1 . . . . A 13 LEU C . 17604 1 49 . 1 1 13 13 LEU N N 15 117.2800 0.1 . 1 . . . . A 13 LEU N . 17604 1 50 . 1 1 14 14 ARG H H 1 8.2720 0.01 . 1 . . . . A 14 ARG H . 17604 1 51 . 1 1 14 14 ARG HA H 1 4.6650 0.01 . 1 . . . . A 14 ARG HA . 17604 1 52 . 1 1 14 14 ARG C C 13 175.9000 0.1 . 1 . . . . A 14 ARG C . 17604 1 53 . 1 1 14 14 ARG CA C 13 54.0910 0.1 . 1 . . . . A 14 ARG CA . 17604 1 54 . 1 1 14 14 ARG N N 15 126.4440 0.1 . 1 . . . . A 14 ARG N . 17604 1 55 . 1 1 15 15 LEU H H 1 8.8060 0.01 . 1 . . . . A 15 LEU H . 17604 1 56 . 1 1 15 15 LEU C C 13 173.7230 0.1 . 1 . . . . A 15 LEU C . 17604 1 57 . 1 1 15 15 LEU N N 15 122.9510 0.1 . 1 . . . . A 15 LEU N . 17604 1 58 . 1 1 16 16 LYS H H 1 7.1240 0.01 . 1 . . . . A 16 LYS H . 17604 1 59 . 1 1 16 16 LYS HA H 1 5.4210 0.01 . 1 . . . . A 16 LYS HA . 17604 1 60 . 1 1 16 16 LYS C C 13 176.1040 0.1 . 1 . . . . A 16 LYS C . 17604 1 61 . 1 1 16 16 LYS CA C 13 53.5880 0.1 . 1 . . . . A 16 LYS CA . 17604 1 62 . 1 1 16 16 LYS N N 15 114.9830 0.1 . 1 . . . . A 16 LYS N . 17604 1 63 . 1 1 17 17 ILE H H 1 7.5560 0.01 . 1 . . . . A 17 ILE H . 17604 1 64 . 1 1 17 17 ILE HA H 1 4.1330 0.01 . 1 . . . . A 17 ILE HA . 17604 1 65 . 1 1 17 17 ILE C C 13 174.7730 0.1 . 1 . . . . A 17 ILE C . 17604 1 66 . 1 1 17 17 ILE N N 15 120.6640 0.1 . 1 . . . . A 17 ILE N . 17604 1 67 . 1 1 18 18 TYR H H 1 9.3910 0.01 . 1 . . . . A 18 TYR H . 17604 1 68 . 1 1 18 18 TYR HA H 1 5.1140 0.01 . 1 . . . . A 18 TYR HA . 17604 1 69 . 1 1 18 18 TYR C C 13 172.7090 0.1 . 1 . . . . A 18 TYR C . 17604 1 70 . 1 1 18 18 TYR CA C 13 55.2880 0.1 . 1 . . . . A 18 TYR CA . 17604 1 71 . 1 1 18 18 TYR N N 15 127.7130 0.1 . 1 . . . . A 18 TYR N . 17604 1 72 . 1 1 19 19 LYS H H 1 8.3420 0.01 . 1 . . . . A 19 LYS H . 17604 1 73 . 1 1 19 19 LYS HA H 1 4.5630 0.01 . 1 . . . . A 19 LYS HA . 17604 1 74 . 1 1 19 19 LYS C C 13 176.0600 0.1 . 1 . . . . A 19 LYS C . 17604 1 75 . 1 1 19 19 LYS CA C 13 55.0250 0.1 . 1 . . . . A 19 LYS CA . 17604 1 76 . 1 1 19 19 LYS N N 15 122.5840 0.1 . 1 . . . . A 19 LYS N . 17604 1 77 . 1 1 20 20 ASP H H 1 8.5090 0.01 . 1 . . . . A 20 ASP H . 17604 1 78 . 1 1 20 20 ASP HA H 1 4.5710 0.01 . 1 . . . . A 20 ASP HA . 17604 1 79 . 1 1 20 20 ASP C C 13 178.0880 0.1 . 1 . . . . A 20 ASP C . 17604 1 80 . 1 1 20 20 ASP CA C 13 52.7200 0.1 . 1 . . . . A 20 ASP CA . 17604 1 81 . 1 1 20 20 ASP N N 15 124.8640 0.1 . 1 . . . . A 20 ASP N . 17604 1 82 . 1 1 21 21 THR H H 1 7.9750 0.01 . 1 . . . . A 21 THR H . 17604 1 83 . 1 1 21 21 THR HA H 1 3.9780 0.01 . 1 . . . . A 21 THR HA . 17604 1 84 . 1 1 21 21 THR C C 13 175.8470 0.1 . 1 . . . . A 21 THR C . 17604 1 85 . 1 1 21 21 THR CA C 13 65.1150 0.1 . 1 . . . . A 21 THR CA . 17604 1 86 . 1 1 21 21 THR N N 15 110.2530 0.1 . 1 . . . . A 21 THR N . 17604 1 87 . 1 1 22 22 GLU HA H 1 4.1600 0.01 . 1 . . . . A 22 GLU HA . 17604 1 88 . 1 1 22 22 GLU C C 13 175.5110 0.1 . 1 . . . . A 22 GLU C . 17604 1 89 . 1 1 22 22 GLU CA C 13 55.9720 0.1 . 1 . . . . A 22 GLU CA . 17604 1 90 . 1 1 22 22 GLU N N 15 120.0580 0.1 . 1 . . . . A 22 GLU N . 17604 1 91 . 1 1 23 23 GLY H H 1 7.8310 0.01 . 1 . . . . A 23 GLY H . 17604 1 92 . 1 1 23 23 GLY HA2 H 1 3.3200 0.01 . 2 . . . . A 23 GLY HA2 . 17604 1 93 . 1 1 23 23 GLY HA3 H 1 3.9600 0.01 . 2 . . . . A 23 GLY HA3 . 17604 1 94 . 1 1 23 23 GLY C C 13 173.4980 0.1 . 1 . . . . A 23 GLY C . 17604 1 95 . 1 1 23 23 GLY N N 15 106.8010 0.1 . 1 . . . . A 23 GLY N . 17604 1 96 . 1 1 24 24 TYR H H 1 8.1900 0.01 . 1 . . . . A 24 TYR H . 17604 1 97 . 1 1 24 24 TYR HA H 1 4.9490 0.01 . 1 . . . . A 24 TYR HA . 17604 1 98 . 1 1 24 24 TYR C C 13 177.6460 0.1 . 1 . . . . A 24 TYR C . 17604 1 99 . 1 1 24 24 TYR CA C 13 54.7050 0.1 . 1 . . . . A 24 TYR CA . 17604 1 100 . 1 1 24 24 TYR N N 15 120.5770 0.1 . 1 . . . . A 24 TYR N . 17604 1 101 . 1 1 25 25 TYR H H 1 8.7300 0.01 . 1 . . . . A 25 TYR H . 17604 1 102 . 1 1 25 25 TYR HA H 1 4.8930 0.01 . 1 . . . . A 25 TYR HA . 17604 1 103 . 1 1 25 25 TYR C C 13 175.2250 0.1 . 1 . . . . A 25 TYR C . 17604 1 104 . 1 1 25 25 TYR CA C 13 59.8310 0.1 . 1 . . . . A 25 TYR CA . 17604 1 105 . 1 1 25 25 TYR N N 15 122.5990 0.1 . 1 . . . . A 25 TYR N . 17604 1 106 . 1 1 26 26 THR H H 1 9.3940 0.01 . 1 . . . . A 26 THR H . 17604 1 107 . 1 1 26 26 THR C C 13 170.7040 0.1 . 1 . . . . A 26 THR C . 17604 1 108 . 1 1 26 26 THR CA C 13 60.8480 0.1 . 1 . . . . A 26 THR CA . 17604 1 109 . 1 1 26 26 THR N N 15 120.5660 0.1 . 1 . . . . A 26 THR N . 17604 1 110 . 1 1 27 27 ILE H H 1 8.8420 0.01 . 1 . . . . A 27 ILE H . 17604 1 111 . 1 1 27 27 ILE HA H 1 4.6350 0.01 . 1 . . . . A 27 ILE HA . 17604 1 112 . 1 1 27 27 ILE C C 13 172.5880 0.1 . 1 . . . . A 27 ILE C . 17604 1 113 . 1 1 27 27 ILE N N 15 120.4800 0.1 . 1 . . . . A 27 ILE N . 17604 1 114 . 1 1 28 28 GLY H H 1 8.5850 0.01 . 1 . . . . A 28 GLY H . 17604 1 115 . 1 1 28 28 GLY C C 13 174.7250 0.1 . 1 . . . . A 28 GLY C . 17604 1 116 . 1 1 28 28 GLY N N 15 112.0340 0.1 . 1 . . . . A 28 GLY N . 17604 1 117 . 1 1 29 29 ILE H H 1 10.2690 0.01 . 1 . . . . A 29 ILE H . 17604 1 118 . 1 1 29 29 ILE C C 13 176.6410 0.1 . 1 . . . . A 29 ILE C . 17604 1 119 . 1 1 29 29 ILE N N 15 134.3070 0.1 . 1 . . . . A 29 ILE N . 17604 1 120 . 1 1 30 30 GLY H H 1 8.1590 0.01 . 1 . . . . A 30 GLY H . 17604 1 121 . 1 1 30 30 GLY C C 13 173.1030 0.1 . 1 . . . . A 30 GLY C . 17604 1 122 . 1 1 30 30 GLY CA C 13 46.6470 0.1 . 1 . . . . A 30 GLY CA . 17604 1 123 . 1 1 30 30 GLY N N 15 107.6970 0.1 . 1 . . . . A 30 GLY N . 17604 1 124 . 1 1 31 31 HIS H H 1 8.2740 0.01 . 1 . . . . A 31 HIS H . 17604 1 125 . 1 1 31 31 HIS HA H 1 4.3440 0.01 . 1 . . . . A 31 HIS HA . 17604 1 126 . 1 1 31 31 HIS C C 13 173.2420 0.1 . 1 . . . . A 31 HIS C . 17604 1 127 . 1 1 31 31 HIS CA C 13 56.6570 0.1 . 1 . . . . A 31 HIS CA . 17604 1 128 . 1 1 31 31 HIS N N 15 115.5800 0.1 . 1 . . . . A 31 HIS N . 17604 1 129 . 1 1 32 32 LEU H H 1 7.9160 0.01 . 1 . . . . A 32 LEU H . 17604 1 130 . 1 1 32 32 LEU C C 13 176.4410 0.1 . 1 . . . . A 32 LEU C . 17604 1 131 . 1 1 32 32 LEU N N 15 131.9650 0.1 . 1 . . . . A 32 LEU N . 17604 1 132 . 1 1 33 33 LEU H H 1 9.0780 0.01 . 1 . . . . A 33 LEU H . 17604 1 133 . 1 1 33 33 LEU HA H 1 4.4970 0.01 . 1 . . . . A 33 LEU HA . 17604 1 134 . 1 1 33 33 LEU C C 13 176.1880 0.1 . 1 . . . . A 33 LEU C . 17604 1 135 . 1 1 33 33 LEU N N 15 125.8910 0.1 . 1 . . . . A 33 LEU N . 17604 1 136 . 1 1 34 34 THR H H 1 7.2660 0.01 . 1 . . . . A 34 THR H . 17604 1 137 . 1 1 34 34 THR HA H 1 4.4650 0.01 . 1 . . . . A 34 THR HA . 17604 1 138 . 1 1 34 34 THR C C 13 171.6270 0.1 . 1 . . . . A 34 THR C . 17604 1 139 . 1 1 34 34 THR CA C 13 60.0500 0.1 . 1 . . . . A 34 THR CA . 17604 1 140 . 1 1 34 34 THR N N 15 109.6940 0.1 . 1 . . . . A 34 THR N . 17604 1 141 . 1 1 35 35 LYS H H 1 8.5830 0.01 . 1 . . . . A 35 LYS H . 17604 1 142 . 1 1 35 35 LYS C C 13 176.7300 0.1 . 1 . . . . A 35 LYS C . 17604 1 143 . 1 1 35 35 LYS N N 15 124.8510 0.1 . 1 . . . . A 35 LYS N . 17604 1 144 . 1 1 36 36 SER H H 1 8.7480 0.01 . 1 . . . . A 36 SER H . 17604 1 145 . 1 1 36 36 SER N N 15 119.4570 0.1 . 1 . . . . A 36 SER N . 17604 1 146 . 1 1 37 37 PRO HA H 1 4.8850 0.01 . 1 . . . . A 37 PRO HA . 17604 1 147 . 1 1 37 37 PRO C C 13 177.0510 0.1 . 1 . . . . A 37 PRO C . 17604 1 148 . 1 1 37 37 PRO CA C 13 63.2290 0.1 . 1 . . . . A 37 PRO CA . 17604 1 149 . 1 1 38 38 SER H H 1 8.2300 0.01 . 1 . . . . A 38 SER H . 17604 1 150 . 1 1 38 38 SER HA H 1 4.7300 0.01 . 1 . . . . A 38 SER HA . 17604 1 151 . 1 1 38 38 SER C C 13 174.4000 0.1 . 1 . . . . A 38 SER C . 17604 1 152 . 1 1 38 38 SER CA C 13 56.3150 0.1 . 1 . . . . A 38 SER CA . 17604 1 153 . 1 1 38 38 SER N N 15 116.3020 0.1 . 1 . . . . A 38 SER N . 17604 1 154 . 1 1 39 39 LEU H H 1 8.9610 0.01 . 1 . . . . A 39 LEU H . 17604 1 155 . 1 1 39 39 LEU HA H 1 3.4440 0.01 . 1 . . . . A 39 LEU HA . 17604 1 156 . 1 1 39 39 LEU C C 13 178.4620 0.1 . 1 . . . . A 39 LEU C . 17604 1 157 . 1 1 39 39 LEU N N 15 133.0660 0.1 . 1 . . . . A 39 LEU N . 17604 1 158 . 1 1 40 40 ASN H H 1 8.2820 0.01 . 1 . . . . A 40 ASN H . 17604 1 159 . 1 1 40 40 ASN C C 13 178.2790 0.1 . 1 . . . . A 40 ASN C . 17604 1 160 . 1 1 40 40 ASN N N 15 116.7810 0.1 . 1 . . . . A 40 ASN N . 17604 1 161 . 1 1 41 41 ALA H H 1 7.7460 0.01 . 1 . . . . A 41 ALA H . 17604 1 162 . 1 1 41 41 ALA HA H 1 4.2130 0.01 . 1 . . . . A 41 ALA HA . 17604 1 163 . 1 1 41 41 ALA C C 13 179.8820 0.1 . 1 . . . . A 41 ALA C . 17604 1 164 . 1 1 41 41 ALA CA C 13 54.7130 0.1 . 1 . . . . A 41 ALA CA . 17604 1 165 . 1 1 41 41 ALA N N 15 123.9170 0.1 . 1 . . . . A 41 ALA N . 17604 1 166 . 1 1 42 42 ALA H H 1 7.5930 0.01 . 1 . . . . A 42 ALA H . 17604 1 167 . 1 1 42 42 ALA HA H 1 3.7410 0.01 . 1 . . . . A 42 ALA HA . 17604 1 168 . 1 1 42 42 ALA C C 13 178.8220 0.1 . 1 . . . . A 42 ALA C . 17604 1 169 . 1 1 42 42 ALA CA C 13 55.4330 0.1 . 1 . . . . A 42 ALA CA . 17604 1 170 . 1 1 42 42 ALA N N 15 120.9720 0.1 . 1 . . . . A 42 ALA N . 17604 1 171 . 1 1 43 43 LYS H H 1 8.4000 0.01 . 1 . . . . A 43 LYS H . 17604 1 172 . 1 1 43 43 LYS C C 13 177.7150 0.1 . 1 . . . . A 43 LYS C . 17604 1 173 . 1 1 43 43 LYS N N 15 117.1130 0.1 . 1 . . . . A 43 LYS N . 17604 1 174 . 1 1 44 44 SER H H 1 7.9270 0.01 . 1 . . . . A 44 SER H . 17604 1 175 . 1 1 44 44 SER C C 13 177.9550 0.1 . 1 . . . . A 44 SER C . 17604 1 176 . 1 1 44 44 SER CA C 13 61.7080 0.1 . 1 . . . . A 44 SER CA . 17604 1 177 . 1 1 44 44 SER N N 15 113.8250 0.1 . 1 . . . . A 44 SER N . 17604 1 178 . 1 1 45 45 GLU HA H 1 4.1210 0.01 . 1 . . . . A 45 GLU HA . 17604 1 179 . 1 1 45 45 GLU C C 13 179.3670 0.1 . 1 . . . . A 45 GLU C . 17604 1 180 . 1 1 45 45 GLU CA C 13 58.5160 0.1 . 1 . . . . A 45 GLU CA . 17604 1 181 . 1 1 45 45 GLU N N 15 120.1040 0.1 . 1 . . . . A 45 GLU N . 17604 1 182 . 1 1 46 46 LEU H H 1 8.3040 0.01 . 1 . . . . A 46 LEU H . 17604 1 183 . 1 1 46 46 LEU C C 13 177.3040 0.1 . 1 . . . . A 46 LEU C . 17604 1 184 . 1 1 46 46 LEU N N 15 122.7140 0.1 . 1 . . . . A 46 LEU N . 17604 1 185 . 1 1 47 47 ASP H H 1 8.6510 0.01 . 1 . . . . A 47 ASP H . 17604 1 186 . 1 1 47 47 ASP C C 13 181.0230 0.1 . 1 . . . . A 47 ASP C . 17604 1 187 . 1 1 47 47 ASP CA C 13 57.2660 0.1 . 1 . . . . A 47 ASP CA . 17604 1 188 . 1 1 47 47 ASP N N 15 120.2200 0.1 . 1 . . . . A 47 ASP N . 17604 1 189 . 1 1 48 48 LYS H H 1 7.7940 0.01 . 1 . . . . A 48 LYS H . 17604 1 190 . 1 1 48 48 LYS HA H 1 4.0100 0.01 . 1 . . . . A 48 LYS HA . 17604 1 191 . 1 1 48 48 LYS C C 13 178.2380 0.1 . 1 . . . . A 48 LYS C . 17604 1 192 . 1 1 48 48 LYS CA C 13 59.1100 0.1 . 1 . . . . A 48 LYS CA . 17604 1 193 . 1 1 48 48 LYS N N 15 120.8840 0.1 . 1 . . . . A 48 LYS N . 17604 1 194 . 1 1 49 49 ALA H H 1 7.9260 0.01 . 1 . . . . A 49 ALA H . 17604 1 195 . 1 1 49 49 ALA HA H 1 4.1660 0.01 . 1 . . . . A 49 ALA HA . 17604 1 196 . 1 1 49 49 ALA C C 13 179.4710 0.1 . 1 . . . . A 49 ALA C . 17604 1 197 . 1 1 49 49 ALA CA C 13 54.3670 0.1 . 1 . . . . A 49 ALA CA . 17604 1 198 . 1 1 49 49 ALA N N 15 121.0760 0.1 . 1 . . . . A 49 ALA N . 17604 1 199 . 1 1 50 50 ILE H H 1 8.3790 0.01 . 1 . . . . A 50 ILE H . 17604 1 200 . 1 1 50 50 ILE HA H 1 4.0770 0.01 . 1 . . . . A 50 ILE HA . 17604 1 201 . 1 1 50 50 ILE C C 13 177.2560 0.1 . 1 . . . . A 50 ILE C . 17604 1 202 . 1 1 50 50 ILE N N 15 114.8450 0.1 . 1 . . . . A 50 ILE N . 17604 1 203 . 1 1 51 51 GLY H H 1 8.3800 0.01 . 1 . . . . A 51 GLY H . 17604 1 204 . 1 1 51 51 GLY HA3 H 1 4.1560 0.01 . 2 . . . . A 51 GLY HA3 . 17604 1 205 . 1 1 51 51 GLY C C 13 173.7310 0.1 . 1 . . . . A 51 GLY C . 17604 1 206 . 1 1 51 51 GLY N N 15 109.2060 0.1 . 1 . . . . A 51 GLY N . 17604 1 207 . 1 1 52 52 ARG H H 1 7.6560 0.01 . 1 . . . . A 52 ARG H . 17604 1 208 . 1 1 52 52 ARG HA H 1 4.5660 0.01 . 1 . . . . A 52 ARG HA . 17604 1 209 . 1 1 52 52 ARG C C 13 172.3180 0.1 . 1 . . . . A 52 ARG C . 17604 1 210 . 1 1 52 52 ARG N N 15 115.4890 0.1 . 1 . . . . A 52 ARG N . 17604 1 211 . 1 1 53 53 ASN H H 1 8.2750 0.01 . 1 . . . . A 53 ASN H . 17604 1 212 . 1 1 53 53 ASN C C 13 175.4340 0.1 . 1 . . . . A 53 ASN C . 17604 1 213 . 1 1 53 53 ASN N N 15 115.4220 0.1 . 1 . . . . A 53 ASN N . 17604 1 214 . 1 1 54 54 THR H H 1 9.0790 0.01 . 1 . . . . A 54 THR H . 17604 1 215 . 1 1 54 54 THR HA H 1 4.3030 0.01 . 1 . . . . A 54 THR HA . 17604 1 216 . 1 1 54 54 THR C C 13 177.3160 0.1 . 1 . . . . A 54 THR C . 17604 1 217 . 1 1 54 54 THR CA C 13 63.7420 0.1 . 1 . . . . A 54 THR CA . 17604 1 218 . 1 1 54 54 THR N N 15 119.6110 0.1 . 1 . . . . A 54 THR N . 17604 1 219 . 1 1 55 55 ASN H H 1 9.4770 0.01 . 1 . . . . A 55 ASN H . 17604 1 220 . 1 1 55 55 ASN C C 13 175.7710 0.1 . 1 . . . . A 55 ASN C . 17604 1 221 . 1 1 55 55 ASN N N 15 120.1020 0.1 . 1 . . . . A 55 ASN N . 17604 1 222 . 1 1 56 56 GLY H H 1 8.6880 0.01 . 1 . . . . A 56 GLY H . 17604 1 223 . 1 1 56 56 GLY HA2 H 1 4.1560 0.01 . 2 . . . . A 56 GLY HA2 . 17604 1 224 . 1 1 56 56 GLY HA3 H 1 3.3010 0.01 . 2 . . . . A 56 GLY HA3 . 17604 1 225 . 1 1 56 56 GLY C C 13 172.1230 0.1 . 1 . . . . A 56 GLY C . 17604 1 226 . 1 1 56 56 GLY N N 15 102.9320 0.1 . 1 . . . . A 56 GLY N . 17604 1 227 . 1 1 57 57 VAL H H 1 7.4730 0.01 . 1 . . . . A 57 VAL H . 17604 1 228 . 1 1 57 57 VAL HA H 1 5.1200 0.01 . 1 . . . . A 57 VAL HA . 17604 1 229 . 1 1 57 57 VAL C C 13 174.8870 0.1 . 1 . . . . A 57 VAL C . 17604 1 230 . 1 1 57 57 VAL CA C 13 60.6650 0.1 . 1 . . . . A 57 VAL CA . 17604 1 231 . 1 1 57 57 VAL N N 15 120.3120 0.1 . 1 . . . . A 57 VAL N . 17604 1 232 . 1 1 58 58 ILE H H 1 8.5450 0.01 . 1 . . . . A 58 ILE H . 17604 1 233 . 1 1 58 58 ILE HA H 1 4.8750 0.01 . 1 . . . . A 58 ILE HA . 17604 1 234 . 1 1 58 58 ILE C C 13 175.4100 0.1 . 1 . . . . A 58 ILE C . 17604 1 235 . 1 1 58 58 ILE N N 15 116.9090 0.1 . 1 . . . . A 58 ILE N . 17604 1 236 . 1 1 59 59 THR H H 1 8.6940 0.01 . 1 . . . . A 59 THR H . 17604 1 237 . 1 1 59 59 THR HA H 1 4.6190 0.01 . 1 . . . . A 59 THR HA . 17604 1 238 . 1 1 59 59 THR C C 13 176.3790 0.1 . 1 . . . . A 59 THR C . 17604 1 239 . 1 1 59 59 THR CA C 13 59.8420 0.1 . 1 . . . . A 59 THR CA . 17604 1 240 . 1 1 59 59 THR N N 15 109.2100 0.1 . 1 . . . . A 59 THR N . 17604 1 241 . 1 1 60 60 LYS H H 1 9.1470 0.01 . 1 . . . . A 60 LYS H . 17604 1 242 . 1 1 60 60 LYS HA H 1 3.8650 0.01 . 1 . . . . A 60 LYS HA . 17604 1 243 . 1 1 60 60 LYS C C 13 178.0860 0.1 . 1 . . . . A 60 LYS C . 17604 1 244 . 1 1 60 60 LYS CA C 13 60.8570 0.1 . 1 . . . . A 60 LYS CA . 17604 1 245 . 1 1 60 60 LYS N N 15 121.4660 0.1 . 1 . . . . A 60 LYS N . 17604 1 246 . 1 1 61 61 ASP H H 1 8.2520 0.01 . 1 . . . . A 61 ASP H . 17604 1 247 . 1 1 61 61 ASP HA H 1 4.3500 0.01 . 1 . . . . A 61 ASP HA . 17604 1 248 . 1 1 61 61 ASP C C 13 179.6280 0.1 . 1 . . . . A 61 ASP C . 17604 1 249 . 1 1 61 61 ASP CA C 13 57.1940 0.1 . 1 . . . . A 61 ASP CA . 17604 1 250 . 1 1 61 61 ASP N N 15 117.2430 0.1 . 1 . . . . A 61 ASP N . 17604 1 251 . 1 1 62 62 GLU H H 1 7.7130 0.01 . 1 . . . . A 62 GLU H . 17604 1 252 . 1 1 62 62 GLU HA H 1 3.8830 0.01 . 1 . . . . A 62 GLU HA . 17604 1 253 . 1 1 62 62 GLU C C 13 178.7810 0.1 . 1 . . . . A 62 GLU C . 17604 1 254 . 1 1 62 62 GLU N N 15 121.4730 0.1 . 1 . . . . A 62 GLU N . 17604 1 255 . 1 1 63 63 ALA H H 1 8.5640 0.01 . 1 . . . . A 63 ALA H . 17604 1 256 . 1 1 63 63 ALA HA H 1 3.8940 0.01 . 1 . . . . A 63 ALA HA . 17604 1 257 . 1 1 63 63 ALA C C 13 180.8010 0.1 . 1 . . . . A 63 ALA C . 17604 1 258 . 1 1 63 63 ALA CA C 13 55.1040 0.1 . 1 . . . . A 63 ALA CA . 17604 1 259 . 1 1 63 63 ALA N N 15 121.2130 0.1 . 1 . . . . A 63 ALA N . 17604 1 260 . 1 1 64 64 GLU H H 1 8.4230 0.01 . 1 . . . . A 64 GLU H . 17604 1 261 . 1 1 64 64 GLU HA H 1 4.1850 0.01 . 1 . . . . A 64 GLU HA . 17604 1 262 . 1 1 64 64 GLU C C 13 177.8890 0.1 . 1 . . . . A 64 GLU C . 17604 1 263 . 1 1 64 64 GLU CA C 13 60.2920 0.1 . 1 . . . . A 64 GLU CA . 17604 1 264 . 1 1 64 64 GLU N N 15 119.8530 0.1 . 1 . . . . A 64 GLU N . 17604 1 265 . 1 1 65 65 LYS H H 1 7.8930 0.01 . 1 . . . . A 65 LYS H . 17604 1 266 . 1 1 65 65 LYS C C 13 179.8960 0.1 . 1 . . . . A 65 LYS C . 17604 1 267 . 1 1 65 65 LYS CA C 13 59.6880 0.1 . 1 . . . . A 65 LYS CA . 17604 1 268 . 1 1 65 65 LYS N N 15 122.1180 0.1 . 1 . . . . A 65 LYS N . 17604 1 269 . 1 1 66 66 LEU H H 1 7.7050 0.01 . 1 . . . . A 66 LEU H . 17604 1 270 . 1 1 66 66 LEU C C 13 177.9880 0.1 . 1 . . . . A 66 LEU C . 17604 1 271 . 1 1 66 66 LEU N N 15 118.2620 0.1 . 1 . . . . A 66 LEU N . 17604 1 272 . 1 1 67 67 PHE H H 1 8.0600 0.01 . 1 . . . . A 67 PHE H . 17604 1 273 . 1 1 67 67 PHE HA H 1 5.2680 0.01 . 1 . . . . A 67 PHE HA . 17604 1 274 . 1 1 67 67 PHE C C 13 177.2560 0.1 . 1 . . . . A 67 PHE C . 17604 1 275 . 1 1 67 67 PHE CA C 13 59.6890 0.1 . 1 . . . . A 67 PHE CA . 17604 1 276 . 1 1 67 67 PHE N N 15 118.8380 0.1 . 1 . . . . A 67 PHE N . 17604 1 277 . 1 1 68 68 ASN H H 1 8.4730 0.01 . 1 . . . . A 68 ASN H . 17604 1 278 . 1 1 68 68 ASN C C 13 178.7900 0.1 . 1 . . . . A 68 ASN C . 17604 1 279 . 1 1 68 68 ASN N N 15 117.6910 0.1 . 1 . . . . A 68 ASN N . 17604 1 280 . 1 1 69 69 GLN H H 1 7.7880 0.01 . 1 . . . . A 69 GLN H . 17604 1 281 . 1 1 69 69 GLN C C 13 178.9710 0.1 . 1 . . . . A 69 GLN C . 17604 1 282 . 1 1 69 69 GLN N N 15 118.4500 0.1 . 1 . . . . A 69 GLN N . 17604 1 283 . 1 1 70 70 ASP H H 1 8.8570 0.01 . 1 . . . . A 70 ASP H . 17604 1 284 . 1 1 70 70 ASP C C 13 179.9250 0.1 . 1 . . . . A 70 ASP C . 17604 1 285 . 1 1 70 70 ASP N N 15 123.1080 0.1 . 1 . . . . A 70 ASP N . 17604 1 286 . 1 1 71 71 VAL H H 1 9.0170 0.01 . 1 . . . . A 71 VAL H . 17604 1 287 . 1 1 71 71 VAL HA H 1 3.5910 0.01 . 1 . . . . A 71 VAL HA . 17604 1 288 . 1 1 71 71 VAL C C 13 177.1730 0.1 . 1 . . . . A 71 VAL C . 17604 1 289 . 1 1 71 71 VAL CA C 13 68.3900 0.1 . 1 . . . . A 71 VAL CA . 17604 1 290 . 1 1 71 71 VAL N N 15 125.6220 0.1 . 1 . . . . A 71 VAL N . 17604 1 291 . 1 1 72 72 ASP H H 1 7.6050 0.01 . 1 . . . . A 72 ASP H . 17604 1 292 . 1 1 72 72 ASP HA H 1 4.3530 0.01 . 1 . . . . A 72 ASP HA . 17604 1 293 . 1 1 72 72 ASP C C 13 178.6290 0.1 . 1 . . . . A 72 ASP C . 17604 1 294 . 1 1 72 72 ASP CA C 13 57.6250 0.1 . 1 . . . . A 72 ASP CA . 17604 1 295 . 1 1 72 72 ASP N N 15 118.8290 0.1 . 1 . . . . A 72 ASP N . 17604 1 296 . 1 1 73 73 ALA H H 1 8.3440 0.01 . 1 . . . . A 73 ALA H . 17604 1 297 . 1 1 73 73 ALA HA H 1 4.0280 0.01 . 1 . . . . A 73 ALA HA . 17604 1 298 . 1 1 73 73 ALA C C 13 180.3820 0.1 . 1 . . . . A 73 ALA C . 17604 1 299 . 1 1 73 73 ALA CA C 13 55.1390 0.1 . 1 . . . . A 73 ALA CA . 17604 1 300 . 1 1 73 73 ALA N N 15 119.8290 0.1 . 1 . . . . A 73 ALA N . 17604 1 301 . 1 1 74 74 ALA H H 1 7.8770 0.01 . 1 . . . . A 74 ALA H . 17604 1 302 . 1 1 74 74 ALA HA H 1 4.1670 0.01 . 1 . . . . A 74 ALA HA . 17604 1 303 . 1 1 74 74 ALA C C 13 179.7010 0.1 . 1 . . . . A 74 ALA C . 17604 1 304 . 1 1 74 74 ALA CA C 13 54.6710 0.1 . 1 . . . . A 74 ALA CA . 17604 1 305 . 1 1 74 74 ALA N N 15 123.0390 0.1 . 1 . . . . A 74 ALA N . 17604 1 306 . 1 1 75 75 VAL H H 1 8.1800 0.01 . 1 . . . . A 75 VAL H . 17604 1 307 . 1 1 76 76 ARG H H 1 8.4160 0.01 . 1 . . . . A 76 ARG H . 17604 1 308 . 1 1 76 76 ARG HA H 1 3.8150 0.01 . 1 . . . . A 76 ARG HA . 17604 1 309 . 1 1 76 76 ARG C C 13 178.8430 0.1 . 1 . . . . A 76 ARG C . 17604 1 310 . 1 1 76 76 ARG N N 15 117.7520 0.1 . 1 . . . . A 76 ARG N . 17604 1 311 . 1 1 77 77 GLY H H 1 8.0100 0.01 . 1 . . . . A 77 GLY H . 17604 1 312 . 1 1 77 77 GLY C C 13 176.1370 0.1 . 1 . . . . A 77 GLY C . 17604 1 313 . 1 1 77 77 GLY CA C 13 46.0570 0.1 . 1 . . . . A 77 GLY CA . 17604 1 314 . 1 1 77 77 GLY N N 15 105.7820 0.1 . 1 . . . . A 77 GLY N . 17604 1 315 . 1 1 78 78 ILE H H 1 7.5020 0.01 . 1 . . . . A 78 ILE H . 17604 1 316 . 1 1 78 78 ILE C C 13 177.1660 0.1 . 1 . . . . A 78 ILE C . 17604 1 317 . 1 1 78 78 ILE N N 15 121.7650 0.1 . 1 . . . . A 78 ILE N . 17604 1 318 . 1 1 79 79 LEU H H 1 7.9030 0.01 . 1 . . . . A 79 LEU H . 17604 1 319 . 1 1 79 79 LEU HA H 1 3.8270 0.01 . 1 . . . . A 79 LEU HA . 17604 1 320 . 1 1 79 79 LEU C C 13 178.8040 0.1 . 1 . . . . A 79 LEU C . 17604 1 321 . 1 1 79 79 LEU N N 15 115.1660 0.1 . 1 . . . . A 79 LEU N . 17604 1 322 . 1 1 80 80 ARG H H 1 7.7070 0.01 . 1 . . . . A 80 ARG H . 17604 1 323 . 1 1 80 80 ARG HA H 1 4.3270 0.01 . 1 . . . . A 80 ARG HA . 17604 1 324 . 1 1 80 80 ARG C C 13 175.1180 0.1 . 1 . . . . A 80 ARG C . 17604 1 325 . 1 1 80 80 ARG N N 15 114.7340 0.1 . 1 . . . . A 80 ARG N . 17604 1 326 . 1 1 81 81 ASN H H 1 7.4980 0.01 . 1 . . . . A 81 ASN H . 17604 1 327 . 1 1 81 81 ASN C C 13 174.5810 0.1 . 1 . . . . A 81 ASN C . 17604 1 328 . 1 1 81 81 ASN N N 15 120.8090 0.1 . 1 . . . . A 81 ASN N . 17604 1 329 . 1 1 82 82 ALA H H 1 8.8490 0.01 . 1 . . . . A 82 ALA H . 17604 1 330 . 1 1 82 82 ALA HA H 1 4.0790 0.01 . 1 . . . . A 82 ALA HA . 17604 1 331 . 1 1 82 82 ALA C C 13 178.9430 0.1 . 1 . . . . A 82 ALA C . 17604 1 332 . 1 1 82 82 ALA CA C 13 54.8470 0.1 . 1 . . . . A 82 ALA CA . 17604 1 333 . 1 1 82 82 ALA N N 15 127.9020 0.1 . 1 . . . . A 82 ALA N . 17604 1 334 . 1 1 83 83 LYS H H 1 8.0600 0.01 . 1 . . . . A 83 LYS H . 17604 1 335 . 1 1 83 83 LYS HA H 1 4.2890 0.01 . 1 . . . . A 83 LYS HA . 17604 1 336 . 1 1 83 83 LYS C C 13 177.9070 0.1 . 1 . . . . A 83 LYS C . 17604 1 337 . 1 1 83 83 LYS CA C 13 57.3400 0.1 . 1 . . . . A 83 LYS CA . 17604 1 338 . 1 1 83 83 LYS N N 15 114.1660 0.1 . 1 . . . . A 83 LYS N . 17604 1 339 . 1 1 84 84 LEU H H 1 7.5310 0.01 . 1 . . . . A 84 LEU H . 17604 1 340 . 1 1 84 84 LEU C C 13 178.3350 0.1 . 1 . . . . A 84 LEU C . 17604 1 341 . 1 1 84 84 LEU N N 15 116.4120 0.1 . 1 . . . . A 84 LEU N . 17604 1 342 . 1 1 85 85 LYS H H 1 8.4620 0.01 . 1 . . . . A 85 LYS H . 17604 1 343 . 1 1 85 85 LYS N N 15 121.0800 0.1 . 1 . . . . A 85 LYS N . 17604 1 344 . 1 1 86 86 PRO C C 13 179.9590 0.1 . 1 . . . . A 86 PRO C . 17604 1 345 . 1 1 87 87 VAL H H 1 6.8930 0.01 . 1 . . . . A 87 VAL H . 17604 1 346 . 1 1 87 87 VAL HA H 1 3.7440 0.01 . 1 . . . . A 87 VAL HA . 17604 1 347 . 1 1 87 87 VAL C C 13 178.5450 0.1 . 1 . . . . A 87 VAL C . 17604 1 348 . 1 1 87 87 VAL CA C 13 65.5040 0.1 . 1 . . . . A 87 VAL CA . 17604 1 349 . 1 1 87 87 VAL N N 15 115.5660 0.1 . 1 . . . . A 87 VAL N . 17604 1 350 . 1 1 88 88 TYR H H 1 8.4570 0.01 . 1 . . . . A 88 TYR H . 17604 1 351 . 1 1 88 88 TYR HA H 1 3.8990 0.01 . 1 . . . . A 88 TYR HA . 17604 1 352 . 1 1 88 88 TYR C C 13 177.7220 0.1 . 1 . . . . A 88 TYR C . 17604 1 353 . 1 1 88 88 TYR CA C 13 62.8610 0.1 . 1 . . . . A 88 TYR CA . 17604 1 354 . 1 1 88 88 TYR N N 15 122.5440 0.1 . 1 . . . . A 88 TYR N . 17604 1 355 . 1 1 89 89 ASP H H 1 9.1030 0.01 . 1 . . . . A 89 ASP H . 17604 1 356 . 1 1 89 89 ASP HA H 1 4.3210 0.01 . 1 . . . . A 89 ASP HA . 17604 1 357 . 1 1 89 89 ASP C C 13 177.8490 0.1 . 1 . . . . A 89 ASP C . 17604 1 358 . 1 1 89 89 ASP N N 15 117.2170 0.1 . 1 . . . . A 89 ASP N . 17604 1 359 . 1 1 90 90 SER H H 1 7.3650 0.01 . 1 . . . . A 90 SER H . 17604 1 360 . 1 1 90 90 SER HA H 1 4.4240 0.01 . 1 . . . . A 90 SER HA . 17604 1 361 . 1 1 90 90 SER C C 13 174.3620 0.1 . 1 . . . . A 90 SER C . 17604 1 362 . 1 1 90 90 SER CA C 13 59.6550 0.1 . 1 . . . . A 90 SER CA . 17604 1 363 . 1 1 90 90 SER N N 15 113.2790 0.1 . 1 . . . . A 90 SER N . 17604 1 364 . 1 1 91 91 LEU H H 1 7.4580 0.01 . 1 . . . . A 91 LEU H . 17604 1 365 . 1 1 91 91 LEU HA H 1 4.4240 0.01 . 1 . . . . A 91 LEU HA . 17604 1 366 . 1 1 91 91 LEU C C 13 176.2680 0.1 . 1 . . . . A 91 LEU C . 17604 1 367 . 1 1 91 91 LEU N N 15 123.3950 0.1 . 1 . . . . A 91 LEU N . 17604 1 368 . 1 1 92 92 ASP H H 1 7.4010 0.01 . 1 . . . . A 92 ASP H . 17604 1 369 . 1 1 92 92 ASP HA H 1 4.6230 0.01 . 1 . . . . A 92 ASP HA . 17604 1 370 . 1 1 92 92 ASP C C 13 175.5600 0.1 . 1 . . . . A 92 ASP C . 17604 1 371 . 1 1 92 92 ASP CA C 13 52.1760 0.1 . 1 . . . . A 92 ASP CA . 17604 1 372 . 1 1 92 92 ASP N N 15 115.4560 0.1 . 1 . . . . A 92 ASP N . 17604 1 373 . 1 1 93 93 ALA H H 1 8.6870 0.01 . 1 . . . . A 93 ALA H . 17604 1 374 . 1 1 93 93 ALA HA H 1 3.7970 0.01 . 1 . . . . A 93 ALA HA . 17604 1 375 . 1 1 93 93 ALA C C 13 179.8960 0.1 . 1 . . . . A 93 ALA C . 17604 1 376 . 1 1 93 93 ALA N N 15 119.7610 0.1 . 1 . . . . A 93 ALA N . 17604 1 377 . 1 1 94 94 VAL H H 1 7.8220 0.01 . 1 . . . . A 94 VAL H . 17604 1 378 . 1 1 94 94 VAL C C 13 177.3070 0.1 . 1 . . . . A 94 VAL C . 17604 1 379 . 1 1 94 94 VAL CA C 13 65.9450 0.1 . 1 . . . . A 94 VAL CA . 17604 1 380 . 1 1 94 94 VAL N N 15 118.7850 0.1 . 1 . . . . A 94 VAL N . 17604 1 381 . 1 1 95 95 ARG H H 1 7.7660 0.01 . 1 . . . . A 95 ARG H . 17604 1 382 . 1 1 95 95 ARG HA H 1 3.5790 0.01 . 1 . . . . A 95 ARG HA . 17604 1 383 . 1 1 95 95 ARG C C 13 178.4240 0.1 . 1 . . . . A 95 ARG C . 17604 1 384 . 1 1 95 95 ARG N N 15 119.0460 0.1 . 1 . . . . A 95 ARG N . 17604 1 385 . 1 1 96 96 ARG H H 1 8.6290 0.01 . 1 . . . . A 96 ARG H . 17604 1 386 . 1 1 96 96 ARG C C 13 177.9300 0.1 . 1 . . . . A 96 ARG C . 17604 1 387 . 1 1 96 96 ARG N N 15 118.0340 0.1 . 1 . . . . A 96 ARG N . 17604 1 388 . 1 1 97 97 ALA H H 1 7.0280 0.01 . 1 . . . . A 97 ALA H . 17604 1 389 . 1 1 97 97 ALA HA H 1 4.0680 0.01 . 1 . . . . A 97 ALA HA . 17604 1 390 . 1 1 97 97 ALA C C 13 178.7020 0.1 . 1 . . . . A 97 ALA C . 17604 1 391 . 1 1 97 97 ALA CA C 13 55.3680 0.1 . 1 . . . . A 97 ALA CA . 17604 1 392 . 1 1 97 97 ALA N N 15 119.9490 0.1 . 1 . . . . A 97 ALA N . 17604 1 393 . 1 1 98 98 ALA H H 1 7.2000 0.01 . 1 . . . . A 98 ALA H . 17604 1 394 . 1 1 98 98 ALA C C 13 177.5250 0.1 . 1 . . . . A 98 ALA C . 17604 1 395 . 1 1 98 98 ALA CA C 13 55.3220 0.1 . 1 . . . . A 98 ALA CA . 17604 1 396 . 1 1 98 98 ALA N N 15 118.8520 0.1 . 1 . . . . A 98 ALA N . 17604 1 397 . 1 1 99 99 ALA H H 1 7.7950 0.01 . 1 . . . . A 99 ALA H . 17604 1 398 . 1 1 99 99 ALA HA H 1 3.5340 0.01 . 1 . . . . A 99 ALA HA . 17604 1 399 . 1 1 99 99 ALA CA C 13 55.5960 0.1 . 1 . . . . A 99 ALA CA . 17604 1 400 . 1 1 99 99 ALA N N 15 119.7280 0.1 . 1 . . . . A 99 ALA N . 17604 1 401 . 1 1 100 100 ILE H H 1 8.0930 0.01 . 1 . . . . A 100 ILE H . 17604 1 402 . 1 1 100 100 ILE HA H 1 3.4510 0.01 . 1 . . . . A 100 ILE HA . 17604 1 403 . 1 1 100 100 ILE C C 13 176.9940 0.1 . 1 . . . . A 100 ILE C . 17604 1 404 . 1 1 100 100 ILE N N 15 116.2430 0.1 . 1 . . . . A 100 ILE N . 17604 1 405 . 1 1 101 101 ASN H H 1 8.0970 0.01 . 1 . . . . A 101 ASN H . 17604 1 406 . 1 1 101 101 ASN HA H 1 4.2580 0.01 . 1 . . . . A 101 ASN HA . 17604 1 407 . 1 1 101 101 ASN C C 13 177.4490 0.1 . 1 . . . . A 101 ASN C . 17604 1 408 . 1 1 101 101 ASN CA C 13 56.8260 0.1 . 1 . . . . A 101 ASN CA . 17604 1 409 . 1 1 101 101 ASN N N 15 116.4330 0.1 . 1 . . . . A 101 ASN N . 17604 1 410 . 1 1 102 102 MET H H 1 7.7190 0.01 . 1 . . . . A 102 MET H . 17604 1 411 . 1 1 102 102 MET HA H 1 3.6570 0.01 . 1 . . . . A 102 MET HA . 17604 1 412 . 1 1 102 102 MET CA C 13 61.0500 0.1 . 1 . . . . A 102 MET CA . 17604 1 413 . 1 1 102 102 MET N N 15 113.9360 0.1 . 1 . . . . A 102 MET N . 17604 1 414 . 1 1 103 103 VAL H H 1 7.3200 0.01 . 1 . . . . A 103 VAL H . 17604 1 415 . 1 1 103 103 VAL C C 13 175.5100 0.1 . 1 . . . . A 103 VAL C . 17604 1 416 . 1 1 103 103 VAL CA C 13 61.6650 0.1 . 1 . . . . A 103 VAL CA . 17604 1 417 . 1 1 103 103 VAL N N 15 105.5070 0.1 . 1 . . . . A 103 VAL N . 17604 1 418 . 1 1 104 104 PHE H H 1 7.8770 0.01 . 1 . . . . A 104 PHE H . 17604 1 419 . 1 1 104 104 PHE C C 13 176.9390 0.1 . 1 . . . . A 104 PHE C . 17604 1 420 . 1 1 104 104 PHE N N 15 126.4660 0.1 . 1 . . . . A 104 PHE N . 17604 1 421 . 1 1 105 105 GLN H H 1 8.5400 0.01 . 1 . . . . A 105 GLN H . 17604 1 422 . 1 1 105 105 GLN C C 13 174.9430 0.1 . 1 . . . . A 105 GLN C . 17604 1 423 . 1 1 105 105 GLN N N 15 119.9200 0.1 . 1 . . . . A 105 GLN N . 17604 1 424 . 1 1 106 106 MET H H 1 8.8690 0.01 . 1 . . . . A 106 MET H . 17604 1 425 . 1 1 106 106 MET HA H 1 4.1460 0.01 . 1 . . . . A 106 MET HA . 17604 1 426 . 1 1 106 106 MET C C 13 177.1260 0.1 . 1 . . . . A 106 MET C . 17604 1 427 . 1 1 106 106 MET CA C 13 54.7860 0.1 . 1 . . . . A 106 MET CA . 17604 1 428 . 1 1 106 106 MET N N 15 117.2420 0.1 . 1 . . . . A 106 MET N . 17604 1 429 . 1 1 107 107 GLY H H 1 7.8190 0.01 . 1 . . . . A 107 GLY H . 17604 1 430 . 1 1 107 107 GLY HA2 H 1 3.9520 0.01 . 2 . . . . A 107 GLY HA2 . 17604 1 431 . 1 1 107 107 GLY HA3 H 1 3.9980 0.01 . 2 . . . . A 107 GLY HA3 . 17604 1 432 . 1 1 107 107 GLY C C 13 174.8580 0.1 . 1 . . . . A 107 GLY C . 17604 1 433 . 1 1 107 107 GLY CA C 13 46.0980 0.1 . 1 . . . . A 107 GLY CA . 17604 1 434 . 1 1 107 107 GLY N N 15 107.9630 0.1 . 1 . . . . A 107 GLY N . 17604 1 435 . 1 1 108 108 GLU H H 1 8.7780 0.01 . 1 . . . . A 108 GLU H . 17604 1 436 . 1 1 108 108 GLU C C 13 179.5000 0.1 . 1 . . . . A 108 GLU C . 17604 1 437 . 1 1 108 108 GLU N N 15 122.9880 0.1 . 1 . . . . A 108 GLU N . 17604 1 438 . 1 1 109 109 THR H H 1 8.6170 0.01 . 1 . . . . A 109 THR H . 17604 1 439 . 1 1 109 109 THR HA H 1 4.1930 0.01 . 1 . . . . A 109 THR HA . 17604 1 440 . 1 1 109 109 THR C C 13 178.1490 0.1 . 1 . . . . A 109 THR C . 17604 1 441 . 1 1 109 109 THR CA C 13 65.0180 0.1 . 1 . . . . A 109 THR CA . 17604 1 442 . 1 1 109 109 THR N N 15 112.0240 0.1 . 1 . . . . A 109 THR N . 17604 1 443 . 1 1 110 110 GLY H H 1 8.6310 0.01 . 1 . . . . A 110 GLY H . 17604 1 444 . 1 1 110 110 GLY HA2 H 1 4.4470 0.01 . 2 . . . . A 110 GLY HA2 . 17604 1 445 . 1 1 110 110 GLY C C 13 175.7270 0.1 . 1 . . . . A 110 GLY C . 17604 1 446 . 1 1 110 110 GLY N N 15 116.1550 0.1 . 1 . . . . A 110 GLY N . 17604 1 447 . 1 1 111 111 VAL H H 1 8.0730 0.01 . 1 . . . . A 111 VAL H . 17604 1 448 . 1 1 111 111 VAL HA H 1 3.6360 0.01 . 1 . . . . A 111 VAL HA . 17604 1 449 . 1 1 111 111 VAL C C 13 179.0550 0.1 . 1 . . . . A 111 VAL C . 17604 1 450 . 1 1 111 111 VAL CA C 13 67.1280 0.1 . 1 . . . . A 111 VAL CA . 17604 1 451 . 1 1 111 111 VAL N N 15 120.4280 0.1 . 1 . . . . A 111 VAL N . 17604 1 452 . 1 1 112 112 ALA H H 1 8.2970 0.01 . 1 . . . . A 112 ALA H . 17604 1 453 . 1 1 112 112 ALA HA H 1 4.2150 0.01 . 1 . . . . A 112 ALA HA . 17604 1 454 . 1 1 112 112 ALA C C 13 180.0590 0.1 . 1 . . . . A 112 ALA C . 17604 1 455 . 1 1 112 112 ALA CA C 13 55.4200 0.1 . 1 . . . . A 112 ALA CA . 17604 1 456 . 1 1 112 112 ALA N N 15 124.0500 0.1 . 1 . . . . A 112 ALA N . 17604 1 457 . 1 1 113 113 GLY H H 1 8.2180 0.01 . 1 . . . . A 113 GLY H . 17604 1 458 . 1 1 113 113 GLY C C 13 175.6560 0.1 . 1 . . . . A 113 GLY C . 17604 1 459 . 1 1 113 113 GLY CA C 13 47.0180 0.1 . 1 . . . . A 113 GLY CA . 17604 1 460 . 1 1 113 113 GLY N N 15 105.8200 0.1 . 1 . . . . A 113 GLY N . 17604 1 461 . 1 1 114 114 PHE H H 1 8.1110 0.01 . 1 . . . . A 114 PHE H . 17604 1 462 . 1 1 114 114 PHE HA H 1 4.2080 0.01 . 1 . . . . A 114 PHE HA . 17604 1 463 . 1 1 114 114 PHE C C 13 177.3160 0.1 . 1 . . . . A 114 PHE C . 17604 1 464 . 1 1 114 114 PHE CA C 13 59.8740 0.1 . 1 . . . . A 114 PHE CA . 17604 1 465 . 1 1 114 114 PHE N N 15 122.4410 0.1 . 1 . . . . A 114 PHE N . 17604 1 466 . 1 1 115 115 THR H H 1 8.3780 0.01 . 1 . . . . A 115 THR H . 17604 1 467 . 1 1 115 115 THR C C 13 176.6110 0.1 . 1 . . . . A 115 THR C . 17604 1 468 . 1 1 115 115 THR CA C 13 66.6360 0.1 . 1 . . . . A 115 THR CA . 17604 1 469 . 1 1 115 115 THR N N 15 114.6020 0.1 . 1 . . . . A 115 THR N . 17604 1 470 . 1 1 116 116 ASN H H 1 8.2760 0.01 . 1 . . . . A 116 ASN H . 17604 1 471 . 1 1 116 116 ASN N N 15 119.0710 0.1 . 1 . . . . A 116 ASN N . 17604 1 472 . 1 1 117 117 SER C C 13 174.8330 0.1 . 1 . . . . A 117 SER C . 17604 1 473 . 1 1 118 118 LEU H H 1 7.3360 0.01 . 1 . . . . A 118 LEU H . 17604 1 474 . 1 1 118 118 LEU HA H 1 4.1720 0.01 . 1 . . . . A 118 LEU HA . 17604 1 475 . 1 1 118 118 LEU C C 13 177.9540 0.1 . 1 . . . . A 118 LEU C . 17604 1 476 . 1 1 118 118 LEU N N 15 121.1140 0.1 . 1 . . . . A 118 LEU N . 17604 1 477 . 1 1 119 119 ARG H H 1 8.3290 0.01 . 1 . . . . A 119 ARG H . 17604 1 478 . 1 1 119 119 ARG HA H 1 4.0510 0.01 . 1 . . . . A 119 ARG HA . 17604 1 479 . 1 1 119 119 ARG C C 13 178.7200 0.1 . 1 . . . . A 119 ARG C . 17604 1 480 . 1 1 119 119 ARG CA C 13 58.6210 0.1 . 1 . . . . A 119 ARG CA . 17604 1 481 . 1 1 119 119 ARG N N 15 117.3150 0.1 . 1 . . . . A 119 ARG N . 17604 1 482 . 1 1 120 120 MET H H 1 7.4080 0.01 . 1 . . . . A 120 MET H . 17604 1 483 . 1 1 120 120 MET HA H 1 3.9690 0.01 . 1 . . . . A 120 MET HA . 17604 1 484 . 1 1 120 120 MET C C 13 178.1610 0.1 . 1 . . . . A 120 MET C . 17604 1 485 . 1 1 120 120 MET CA C 13 59.0290 0.1 . 1 . . . . A 120 MET CA . 17604 1 486 . 1 1 120 120 MET N N 15 115.5070 0.1 . 1 . . . . A 120 MET N . 17604 1 487 . 1 1 121 121 LEU H H 1 7.6810 0.01 . 1 . . . . A 121 LEU H . 17604 1 488 . 1 1 121 121 LEU HA H 1 3.8530 0.01 . 1 . . . . A 121 LEU HA . 17604 1 489 . 1 1 121 121 LEU C C 13 179.8520 0.1 . 1 . . . . A 121 LEU C . 17604 1 490 . 1 1 121 121 LEU N N 15 117.6390 0.1 . 1 . . . . A 121 LEU N . 17604 1 491 . 1 1 122 122 GLN H H 1 8.6890 0.01 . 1 . . . . A 122 GLN H . 17604 1 492 . 1 1 122 122 GLN HA H 1 3.9450 0.01 . 1 . . . . A 122 GLN HA . 17604 1 493 . 1 1 122 122 GLN C C 13 176.9760 0.1 . 1 . . . . A 122 GLN C . 17604 1 494 . 1 1 122 122 GLN CA C 13 59.3900 0.1 . 1 . . . . A 122 GLN CA . 17604 1 495 . 1 1 122 122 GLN N N 15 120.4230 0.1 . 1 . . . . A 122 GLN N . 17604 1 496 . 1 1 123 123 GLN H H 1 7.2510 0.01 . 1 . . . . A 123 GLN H . 17604 1 497 . 1 1 123 123 GLN HA H 1 4.0720 0.01 . 1 . . . . A 123 GLN HA . 17604 1 498 . 1 1 123 123 GLN C C 13 174.4550 0.1 . 1 . . . . A 123 GLN C . 17604 1 499 . 1 1 123 123 GLN CA C 13 55.1800 0.1 . 1 . . . . A 123 GLN CA . 17604 1 500 . 1 1 123 123 GLN N N 15 113.6310 0.1 . 1 . . . . A 123 GLN N . 17604 1 501 . 1 1 124 124 LYS H H 1 7.2910 0.01 . 1 . . . . A 124 LYS H . 17604 1 502 . 1 1 124 124 LYS C C 13 174.9100 0.1 . 1 . . . . A 124 LYS C . 17604 1 503 . 1 1 124 124 LYS N N 15 114.7450 0.1 . 1 . . . . A 124 LYS N . 17604 1 504 . 1 1 125 125 ARG H H 1 7.7150 0.01 . 1 . . . . A 125 ARG H . 17604 1 505 . 1 1 125 125 ARG HA H 1 4.2370 0.01 . 1 . . . . A 125 ARG HA . 17604 1 506 . 1 1 125 125 ARG C C 13 177.1820 0.1 . 1 . . . . A 125 ARG C . 17604 1 507 . 1 1 125 125 ARG CA C 13 54.1860 0.1 . 1 . . . . A 125 ARG CA . 17604 1 508 . 1 1 125 125 ARG N N 15 119.5330 0.1 . 1 . . . . A 125 ARG N . 17604 1 509 . 1 1 126 126 TRP H H 1 6.8880 0.01 . 1 . . . . A 126 TRP H . 17604 1 510 . 1 1 126 126 TRP C C 13 178.8910 0.1 . 1 . . . . A 126 TRP C . 17604 1 511 . 1 1 126 126 TRP N N 15 119.2320 0.1 . 1 . . . . A 126 TRP N . 17604 1 512 . 1 1 127 127 ASP H H 1 8.5480 0.01 . 1 . . . . A 127 ASP H . 17604 1 513 . 1 1 127 127 ASP HA H 1 4.4160 0.01 . 1 . . . . A 127 ASP HA . 17604 1 514 . 1 1 127 127 ASP C C 13 178.8540 0.1 . 1 . . . . A 127 ASP C . 17604 1 515 . 1 1 127 127 ASP CA C 13 57.6900 0.1 . 1 . . . . A 127 ASP CA . 17604 1 516 . 1 1 127 127 ASP N N 15 116.4810 0.1 . 1 . . . . A 127 ASP N . 17604 1 517 . 1 1 128 128 GLU H H 1 8.3110 0.01 . 1 . . . . A 128 GLU H . 17604 1 518 . 1 1 128 128 GLU HA H 1 3.9530 0.01 . 1 . . . . A 128 GLU HA . 17604 1 519 . 1 1 128 128 GLU C C 13 179.9450 0.1 . 1 . . . . A 128 GLU C . 17604 1 520 . 1 1 128 128 GLU CA C 13 59.5560 0.1 . 1 . . . . A 128 GLU CA . 17604 1 521 . 1 1 128 128 GLU N N 15 120.5650 0.1 . 1 . . . . A 128 GLU N . 17604 1 522 . 1 1 129 129 ALA H H 1 8.6300 0.01 . 1 . . . . A 129 ALA H . 17604 1 523 . 1 1 129 129 ALA HA H 1 4.0080 0.01 . 1 . . . . A 129 ALA HA . 17604 1 524 . 1 1 129 129 ALA C C 13 178.6730 0.1 . 1 . . . . A 129 ALA C . 17604 1 525 . 1 1 129 129 ALA N N 15 122.2620 0.1 . 1 . . . . A 129 ALA N . 17604 1 526 . 1 1 130 130 ALA H H 1 8.2630 0.01 . 1 . . . . A 130 ALA H . 17604 1 527 . 1 1 130 130 ALA C C 13 179.7890 0.1 . 1 . . . . A 130 ALA C . 17604 1 528 . 1 1 130 130 ALA CA C 13 55.6910 0.1 . 1 . . . . A 130 ALA CA . 17604 1 529 . 1 1 130 130 ALA N N 15 119.5150 0.1 . 1 . . . . A 130 ALA N . 17604 1 530 . 1 1 131 131 VAL H H 1 7.8830 0.01 . 1 . . . . A 131 VAL H . 17604 1 531 . 1 1 131 131 VAL HA H 1 3.5790 0.01 . 1 . . . . A 131 VAL HA . 17604 1 532 . 1 1 131 131 VAL C C 13 178.3410 0.1 . 1 . . . . A 131 VAL C . 17604 1 533 . 1 1 131 131 VAL CA C 13 66.1220 0.1 . 1 . . . . A 131 VAL CA . 17604 1 534 . 1 1 131 131 VAL N N 15 117.5840 0.1 . 1 . . . . A 131 VAL N . 17604 1 535 . 1 1 132 132 ASN HA H 1 4.3280 0.01 . 1 . . . . A 132 ASN HA . 17604 1 536 . 1 1 132 132 ASN C C 13 178.9690 0.1 . 1 . . . . A 132 ASN C . 17604 1 537 . 1 1 132 132 ASN CA C 13 56.8250 0.1 . 1 . . . . A 132 ASN CA . 17604 1 538 . 1 1 132 132 ASN N N 15 118.2670 0.1 . 1 . . . . A 132 ASN N . 17604 1 539 . 1 1 133 133 LEU H H 1 8.8680 0.01 . 1 . . . . A 133 LEU H . 17604 1 540 . 1 1 133 133 LEU C C 13 179.6580 0.1 . 1 . . . . A 133 LEU C . 17604 1 541 . 1 1 133 133 LEU N N 15 121.1570 0.1 . 1 . . . . A 133 LEU N . 17604 1 542 . 1 1 134 134 ALA H H 1 7.7200 0.01 . 1 . . . . A 134 ALA H . 17604 1 543 . 1 1 134 134 ALA C C 13 177.0270 0.1 . 1 . . . . A 134 ALA C . 17604 1 544 . 1 1 134 134 ALA N N 15 121.5510 0.1 . 1 . . . . A 134 ALA N . 17604 1 545 . 1 1 135 135 LYS H H 1 7.2760 0.01 . 1 . . . . A 135 LYS H . 17604 1 546 . 1 1 135 135 LYS HA H 1 4.4070 0.01 . 1 . . . . A 135 LYS HA . 17604 1 547 . 1 1 135 135 LYS C C 13 176.8090 0.1 . 1 . . . . A 135 LYS C . 17604 1 548 . 1 1 135 135 LYS CA C 13 55.9120 0.1 . 1 . . . . A 135 LYS CA . 17604 1 549 . 1 1 135 135 LYS N N 15 115.1440 0.1 . 1 . . . . A 135 LYS N . 17604 1 550 . 1 1 136 136 SER H H 1 7.5500 0.01 . 1 . . . . A 136 SER H . 17604 1 551 . 1 1 136 136 SER HA H 1 4.4270 0.01 . 1 . . . . A 136 SER HA . 17604 1 552 . 1 1 136 136 SER C C 13 174.3510 0.1 . 1 . . . . A 136 SER C . 17604 1 553 . 1 1 136 136 SER CA C 13 58.9220 0.1 . 1 . . . . A 136 SER CA . 17604 1 554 . 1 1 136 136 SER N N 15 115.6940 0.1 . 1 . . . . A 136 SER N . 17604 1 555 . 1 1 137 137 ARG H H 1 8.6940 0.01 . 1 . . . . A 137 ARG H . 17604 1 556 . 1 1 137 137 ARG HA H 1 4.2480 0.01 . 1 . . . . A 137 ARG HA . 17604 1 557 . 1 1 137 137 ARG C C 13 178.4620 0.1 . 1 . . . . A 137 ARG C . 17604 1 558 . 1 1 137 137 ARG CA C 13 58.5670 0.1 . 1 . . . . A 137 ARG CA . 17604 1 559 . 1 1 137 137 ARG N N 15 122.4100 0.1 . 1 . . . . A 137 ARG N . 17604 1 560 . 1 1 138 138 TRP H H 1 8.4760 0.01 . 1 . . . . A 138 TRP H . 17604 1 561 . 1 1 138 138 TRP HA H 1 4.1820 0.01 . 1 . . . . A 138 TRP HA . 17604 1 562 . 1 1 138 138 TRP C C 13 175.7100 0.1 . 1 . . . . A 138 TRP C . 17604 1 563 . 1 1 138 138 TRP CA C 13 62.1000 0.1 . 1 . . . . A 138 TRP CA . 17604 1 564 . 1 1 138 138 TRP N N 15 119.8840 0.1 . 1 . . . . A 138 TRP N . 17604 1 565 . 1 1 139 139 TYR H H 1 7.8510 0.01 . 1 . . . . A 139 TYR H . 17604 1 566 . 1 1 139 139 TYR HA H 1 3.0000 0.01 . 1 . . . . A 139 TYR HA . 17604 1 567 . 1 1 139 139 TYR C C 13 175.7010 0.1 . 1 . . . . A 139 TYR C . 17604 1 568 . 1 1 139 139 TYR CA C 13 60.1960 0.1 . 1 . . . . A 139 TYR CA . 17604 1 569 . 1 1 139 139 TYR N N 15 118.7150 0.1 . 1 . . . . A 139 TYR N . 17604 1 570 . 1 1 140 140 ASN C C 13 176.5210 0.1 . 1 . . . . A 140 ASN C . 17604 1 571 . 1 1 140 140 ASN N N 15 111.8110 0.1 . 1 . . . . A 140 ASN N . 17604 1 572 . 1 1 141 141 GLN H H 1 7.7790 0.01 . 1 . . . . A 141 GLN H . 17604 1 573 . 1 1 141 141 GLN C C 13 176.5980 0.1 . 1 . . . . A 141 GLN C . 17604 1 574 . 1 1 141 141 GLN N N 15 117.4210 0.1 . 1 . . . . A 141 GLN N . 17604 1 575 . 1 1 142 142 THR H H 1 7.0460 0.01 . 1 . . . . A 142 THR H . 17604 1 576 . 1 1 142 142 THR N N 15 111.4220 0.1 . 1 . . . . A 142 THR N . 17604 1 577 . 1 1 143 143 PRO HA H 1 3.9440 0.01 . 1 . . . . A 143 PRO HA . 17604 1 578 . 1 1 143 143 PRO C C 13 178.4630 0.1 . 1 . . . . A 143 PRO C . 17604 1 579 . 1 1 144 144 ASN H H 1 8.1940 0.01 . 1 . . . . A 144 ASN H . 17604 1 580 . 1 1 144 144 ASN C C 13 177.4800 0.1 . 1 . . . . A 144 ASN C . 17604 1 581 . 1 1 144 144 ASN CA C 13 56.1040 0.1 . 1 . . . . A 144 ASN CA . 17604 1 582 . 1 1 144 144 ASN N N 15 116.4890 0.1 . 1 . . . . A 144 ASN N . 17604 1 583 . 1 1 145 145 ARG H H 1 7.8540 0.01 . 1 . . . . A 145 ARG H . 17604 1 584 . 1 1 145 145 ARG HA H 1 3.9020 0.01 . 1 . . . . A 145 ARG HA . 17604 1 585 . 1 1 145 145 ARG C C 13 176.9370 0.1 . 1 . . . . A 145 ARG C . 17604 1 586 . 1 1 145 145 ARG CA C 13 57.5610 0.1 . 1 . . . . A 145 ARG CA . 17604 1 587 . 1 1 145 145 ARG N N 15 121.9000 0.1 . 1 . . . . A 145 ARG N . 17604 1 588 . 1 1 146 146 ALA H H 1 8.4390 0.01 . 1 . . . . A 146 ALA H . 17604 1 589 . 1 1 146 146 ALA HA H 1 3.9850 0.01 . 1 . . . . A 146 ALA HA . 17604 1 590 . 1 1 146 146 ALA C C 13 179.3670 0.1 . 1 . . . . A 146 ALA C . 17604 1 591 . 1 1 146 146 ALA CA C 13 55.2860 0.1 . 1 . . . . A 146 ALA CA . 17604 1 592 . 1 1 146 146 ALA N N 15 119.1190 0.1 . 1 . . . . A 146 ALA N . 17604 1 593 . 1 1 147 147 LYS H H 1 8.0660 0.01 . 1 . . . . A 147 LYS H . 17604 1 594 . 1 1 147 147 LYS C C 13 180.0520 0.1 . 1 . . . . A 147 LYS C . 17604 1 595 . 1 1 147 147 LYS CA C 13 60.6440 0.1 . 1 . . . . A 147 LYS CA . 17604 1 596 . 1 1 147 147 LYS N N 15 116.6000 0.1 . 1 . . . . A 147 LYS N . 17604 1 597 . 1 1 148 148 ARG H H 1 7.4890 0.01 . 1 . . . . A 148 ARG H . 17604 1 598 . 1 1 148 148 ARG HA H 1 3.7740 0.01 . 1 . . . . A 148 ARG HA . 17604 1 599 . 1 1 148 148 ARG C C 13 180.2110 0.1 . 1 . . . . A 148 ARG C . 17604 1 600 . 1 1 148 148 ARG CA C 13 60.4160 0.1 . 1 . . . . A 148 ARG CA . 17604 1 601 . 1 1 148 148 ARG N N 15 119.3270 0.1 . 1 . . . . A 148 ARG N . 17604 1 602 . 1 1 149 149 VAL H H 1 8.8760 0.01 . 1 . . . . A 149 VAL H . 17604 1 603 . 1 1 149 149 VAL HA H 1 3.3890 0.01 . 1 . . . . A 149 VAL HA . 17604 1 604 . 1 1 149 149 VAL C C 13 178.5230 0.1 . 1 . . . . A 149 VAL C . 17604 1 605 . 1 1 149 149 VAL CA C 13 68.2950 0.1 . 1 . . . . A 149 VAL CA . 17604 1 606 . 1 1 149 149 VAL N N 15 125.2040 0.1 . 1 . . . . A 149 VAL N . 17604 1 607 . 1 1 150 150 ILE H H 1 9.3220 0.01 . 1 . . . . A 150 ILE H . 17604 1 608 . 1 1 150 150 ILE HA H 1 3.8930 0.01 . 1 . . . . A 150 ILE HA . 17604 1 609 . 1 1 150 150 ILE C C 13 178.5410 0.1 . 1 . . . . A 150 ILE C . 17604 1 610 . 1 1 150 150 ILE N N 15 121.0360 0.1 . 1 . . . . A 150 ILE N . 17604 1 611 . 1 1 151 151 THR H H 1 8.3820 0.01 . 1 . . . . A 151 THR H . 17604 1 612 . 1 1 151 151 THR C C 13 176.4180 0.1 . 1 . . . . A 151 THR C . 17604 1 613 . 1 1 151 151 THR CA C 13 67.4950 0.1 . 1 . . . . A 151 THR CA . 17604 1 614 . 1 1 151 151 THR N N 15 117.9320 0.1 . 1 . . . . A 151 THR N . 17604 1 615 . 1 1 152 152 THR H H 1 7.9820 0.01 . 1 . . . . A 152 THR H . 17604 1 616 . 1 1 152 152 THR HA H 1 4.1170 0.01 . 1 . . . . A 152 THR HA . 17604 1 617 . 1 1 152 152 THR C C 13 176.3280 0.1 . 1 . . . . A 152 THR C . 17604 1 618 . 1 1 152 152 THR CA C 13 67.6460 0.1 . 1 . . . . A 152 THR CA . 17604 1 619 . 1 1 152 152 THR N N 15 121.7690 0.1 . 1 . . . . A 152 THR N . 17604 1 620 . 1 1 153 153 PHE H H 1 8.4100 0.01 . 1 . . . . A 153 PHE H . 17604 1 621 . 1 1 153 153 PHE C C 13 177.8480 0.1 . 1 . . . . A 153 PHE C . 17604 1 622 . 1 1 153 153 PHE N N 15 120.5090 0.1 . 1 . . . . A 153 PHE N . 17604 1 623 . 1 1 154 154 ARG H H 1 8.7330 0.01 . 1 . . . . A 154 ARG H . 17604 1 624 . 1 1 154 154 ARG C C 13 178.3890 0.1 . 1 . . . . A 154 ARG C . 17604 1 625 . 1 1 154 154 ARG CA C 13 59.7720 0.1 . 1 . . . . A 154 ARG CA . 17604 1 626 . 1 1 154 154 ARG N N 15 117.9470 0.1 . 1 . . . . A 154 ARG N . 17604 1 627 . 1 1 155 155 THR H H 1 8.2190 0.01 . 1 . . . . A 155 THR H . 17604 1 628 . 1 1 155 155 THR HA H 1 4.2350 0.01 . 1 . . . . A 155 THR HA . 17604 1 629 . 1 1 155 155 THR C C 13 176.7050 0.1 . 1 . . . . A 155 THR C . 17604 1 630 . 1 1 155 155 THR CA C 13 62.2250 0.1 . 1 . . . . A 155 THR CA . 17604 1 631 . 1 1 155 155 THR N N 15 105.0550 0.1 . 1 . . . . A 155 THR N . 17604 1 632 . 1 1 156 156 GLY H H 1 8.5000 0.01 . 1 . . . . A 156 GLY H . 17604 1 633 . 1 1 156 156 GLY HA3 H 1 3.2320 0.01 . 2 . . . . A 156 GLY HA3 . 17604 1 634 . 1 1 156 156 GLY C C 13 172.9010 0.1 . 1 . . . . A 156 GLY C . 17604 1 635 . 1 1 156 156 GLY N N 15 111.7120 0.1 . 1 . . . . A 156 GLY N . 17604 1 636 . 1 1 157 157 THR H H 1 7.5680 0.01 . 1 . . . . A 157 THR H . 17604 1 637 . 1 1 157 157 THR HA H 1 4.6460 0.01 . 1 . . . . A 157 THR HA . 17604 1 638 . 1 1 157 157 THR C C 13 174.0420 0.1 . 1 . . . . A 157 THR C . 17604 1 639 . 1 1 157 157 THR CA C 13 58.7450 0.1 . 1 . . . . A 157 THR CA . 17604 1 640 . 1 1 157 157 THR N N 15 108.3670 0.1 . 1 . . . . A 157 THR N . 17604 1 641 . 1 1 158 158 TRP H H 1 8.5120 0.01 . 1 . . . . A 158 TRP H . 17604 1 642 . 1 1 158 158 TRP HA H 1 5.0240 0.01 . 1 . . . . A 158 TRP HA . 17604 1 643 . 1 1 158 158 TRP C C 13 178.0880 0.1 . 1 . . . . A 158 TRP C . 17604 1 644 . 1 1 158 158 TRP CA C 13 56.1380 0.1 . 1 . . . . A 158 TRP CA . 17604 1 645 . 1 1 158 158 TRP N N 15 117.8640 0.1 . 1 . . . . A 158 TRP N . 17604 1 646 . 1 1 159 159 ASP H H 1 7.9720 0.01 . 1 . . . . A 159 ASP H . 17604 1 647 . 1 1 159 159 ASP HA H 1 4.1960 0.01 . 1 . . . . A 159 ASP HA . 17604 1 648 . 1 1 159 159 ASP C C 13 177.4300 0.1 . 1 . . . . A 159 ASP C . 17604 1 649 . 1 1 159 159 ASP CA C 13 58.6580 0.1 . 1 . . . . A 159 ASP CA . 17604 1 650 . 1 1 159 159 ASP N N 15 119.5220 0.1 . 1 . . . . A 159 ASP N . 17604 1 651 . 1 1 160 160 ALA H H 1 9.1430 0.01 . 1 . . . . A 160 ALA H . 17604 1 652 . 1 1 160 160 ALA HA H 1 4.1730 0.01 . 1 . . . . A 160 ALA HA . 17604 1 653 . 1 1 160 160 ALA C C 13 177.2930 0.1 . 1 . . . . A 160 ALA C . 17604 1 654 . 1 1 160 160 ALA CA C 13 53.5800 0.1 . 1 . . . . A 160 ALA CA . 17604 1 655 . 1 1 160 160 ALA N N 15 119.9390 0.1 . 1 . . . . A 160 ALA N . 17604 1 656 . 1 1 161 161 TYR H H 1 8.0710 0.01 . 1 . . . . A 161 TYR H . 17604 1 657 . 1 1 161 161 TYR C C 13 175.0780 0.1 . 1 . . . . A 161 TYR C . 17604 1 658 . 1 1 161 161 TYR N N 15 113.6130 0.1 . 1 . . . . A 161 TYR N . 17604 1 659 . 1 1 162 162 LYS H H 1 7.2660 0.01 . 1 . . . . A 162 LYS H . 17604 1 660 . 1 1 162 162 LYS C C 13 176.1240 0.1 . 1 . . . . A 162 LYS C . 17604 1 661 . 1 1 162 162 LYS N N 15 119.5590 0.1 . 1 . . . . A 162 LYS N . 17604 1 662 . 1 1 163 163 ASN H H 1 8.6290 0.01 . 1 . . . . A 163 ASN H . 17604 1 663 . 1 1 163 163 ASN HA H 1 4.5270 0.01 . 1 . . . . A 163 ASN HA . 17604 1 664 . 1 1 163 163 ASN C C 13 173.6710 0.1 . 1 . . . . A 163 ASN C . 17604 1 665 . 1 1 163 163 ASN CA C 13 54.0410 0.1 . 1 . . . . A 163 ASN CA . 17604 1 666 . 1 1 163 163 ASN N N 15 116.6630 0.1 . 1 . . . . A 163 ASN N . 17604 1 667 . 1 1 164 164 LEU H H 1 7.4350 0.01 . 1 . . . . A 164 LEU H . 17604 1 668 . 1 1 164 164 LEU N N 15 125.8240 0.1 . 1 . . . . A 164 LEU N . 17604 1 stop_ save_