data_19438 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19438 _Entry.Title ; tgam ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2013-08-19 _Entry.Accession_date 2013-08-19 _Entry.Last_release_date 2014-09-02 _Entry.Original_release_date 2014-09-02 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Yinshan Yang . . . 19438 2 Karine 'Montet de Guillen' . . . 19438 3 Christian Roumestand . . . 19438 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' . 19438 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID tgam . 19438 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19438 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 417 19438 '15N chemical shifts' 136 19438 '1H chemical shifts' 295 19438 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2014-09-02 2013-08-19 original author . 19438 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 19438 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'NMR structure of Tgam' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Not known' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Yinshan Yang . . . 19438 1 2 Karine 'Montet de Guillen' . . . 19438 1 3 Christian Roumestand . . . 19438 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19438 _Assembly.ID 1 _Assembly.Name Tgam _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 Tgam 1 $Tgam A . yes native no no . . . 19438 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Tgam _Entity.Sf_category entity _Entity.Sf_framecode Tgam _Entity.Entry_ID 19438 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Tgam _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 ; MKYDVVIIPESFHRFDKHNM EHICPPMVIGDRSYDIAMEI VNGVDRVIKASFNASVEELE GEDCDVLYRKYTLEKEGKKG IVHVKLRKITENCPPVDGNR CSVLEFERDIECIVKAIEEC LAKGELNSKLEGKPIPNPLL GLDSTRTG ; _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 148 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state . _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 16758.439 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2MCF . "Nmr Structure Of Tgam" . . . . . 100.00 148 100.00 100.00 1.50e-101 . . . . 19438 1 2 no GB ACS34436 . "Hypothetical protein TGAM_1934 [Thermococcus gammatolerans EJ3]" . . . . . 82.43 122 100.00 100.00 2.11e-81 . . . . 19438 1 3 no REF WP_015859542 . "hypothetical protein [Thermococcus gammatolerans]" . . . . . 82.43 122 100.00 100.00 2.11e-81 . . . . 19438 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 19438 1 2 . LYS . 19438 1 3 . TYR . 19438 1 4 . ASP . 19438 1 5 . VAL . 19438 1 6 . VAL . 19438 1 7 . ILE . 19438 1 8 . ILE . 19438 1 9 . PRO . 19438 1 10 . GLU . 19438 1 11 . SER . 19438 1 12 . PHE . 19438 1 13 . HIS . 19438 1 14 . ARG . 19438 1 15 . PHE . 19438 1 16 . ASP . 19438 1 17 . LYS . 19438 1 18 . HIS . 19438 1 19 . ASN . 19438 1 20 . MET . 19438 1 21 . GLU . 19438 1 22 . HIS . 19438 1 23 . ILE . 19438 1 24 . CYS . 19438 1 25 . PRO . 19438 1 26 . PRO . 19438 1 27 . MET . 19438 1 28 . VAL . 19438 1 29 . ILE . 19438 1 30 . GLY . 19438 1 31 . ASP . 19438 1 32 . ARG . 19438 1 33 . SER . 19438 1 34 . TYR . 19438 1 35 . ASP . 19438 1 36 . ILE . 19438 1 37 . ALA . 19438 1 38 . MET . 19438 1 39 . GLU . 19438 1 40 . ILE . 19438 1 41 . VAL . 19438 1 42 . ASN . 19438 1 43 . GLY . 19438 1 44 . VAL . 19438 1 45 . ASP . 19438 1 46 . ARG . 19438 1 47 . VAL . 19438 1 48 . ILE . 19438 1 49 . LYS . 19438 1 50 . ALA . 19438 1 51 . SER . 19438 1 52 . PHE . 19438 1 53 . ASN . 19438 1 54 . ALA . 19438 1 55 . SER . 19438 1 56 . VAL . 19438 1 57 . GLU . 19438 1 58 . GLU . 19438 1 59 . LEU . 19438 1 60 . GLU . 19438 1 61 . GLY . 19438 1 62 . GLU . 19438 1 63 . ASP . 19438 1 64 . CYS . 19438 1 65 . ASP . 19438 1 66 . VAL . 19438 1 67 . LEU . 19438 1 68 . TYR . 19438 1 69 . ARG . 19438 1 70 . LYS . 19438 1 71 . TYR . 19438 1 72 . THR . 19438 1 73 . LEU . 19438 1 74 . GLU . 19438 1 75 . LYS . 19438 1 76 . GLU . 19438 1 77 . GLY . 19438 1 78 . LYS . 19438 1 79 . LYS . 19438 1 80 . GLY . 19438 1 81 . ILE . 19438 1 82 . VAL . 19438 1 83 . HIS . 19438 1 84 . VAL . 19438 1 85 . LYS . 19438 1 86 . LEU . 19438 1 87 . ARG . 19438 1 88 . LYS . 19438 1 89 . ILE . 19438 1 90 . THR . 19438 1 91 . GLU . 19438 1 92 . ASN . 19438 1 93 . CYS . 19438 1 94 . PRO . 19438 1 95 . PRO . 19438 1 96 . VAL . 19438 1 97 . ASP . 19438 1 98 . GLY . 19438 1 99 . ASN . 19438 1 100 . ARG . 19438 1 101 . CYS . 19438 1 102 . SER . 19438 1 103 . VAL . 19438 1 104 . LEU . 19438 1 105 . GLU . 19438 1 106 . PHE . 19438 1 107 . GLU . 19438 1 108 . ARG . 19438 1 109 . ASP . 19438 1 110 . ILE . 19438 1 111 . GLU . 19438 1 112 . CYS . 19438 1 113 . ILE . 19438 1 114 . VAL . 19438 1 115 . LYS . 19438 1 116 . ALA . 19438 1 117 . ILE . 19438 1 118 . GLU . 19438 1 119 . GLU . 19438 1 120 . CYS . 19438 1 121 . LEU . 19438 1 122 . ALA . 19438 1 123 . LYS . 19438 1 124 . GLY . 19438 1 125 . GLU . 19438 1 126 . LEU . 19438 1 127 . ASN . 19438 1 128 . SER . 19438 1 129 . LYS . 19438 1 130 . LEU . 19438 1 131 . GLU . 19438 1 132 . GLY . 19438 1 133 . LYS . 19438 1 134 . PRO . 19438 1 135 . ILE . 19438 1 136 . PRO . 19438 1 137 . ASN . 19438 1 138 . PRO . 19438 1 139 . LEU . 19438 1 140 . LEU . 19438 1 141 . GLY . 19438 1 142 . LEU . 19438 1 143 . ASP . 19438 1 144 . SER . 19438 1 145 . THR . 19438 1 146 . ARG . 19438 1 147 . THR . 19438 1 148 . GLY . 19438 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 19438 1 . LYS 2 2 19438 1 . TYR 3 3 19438 1 . ASP 4 4 19438 1 . VAL 5 5 19438 1 . VAL 6 6 19438 1 . ILE 7 7 19438 1 . ILE 8 8 19438 1 . PRO 9 9 19438 1 . GLU 10 10 19438 1 . SER 11 11 19438 1 . PHE 12 12 19438 1 . HIS 13 13 19438 1 . ARG 14 14 19438 1 . PHE 15 15 19438 1 . ASP 16 16 19438 1 . LYS 17 17 19438 1 . HIS 18 18 19438 1 . ASN 19 19 19438 1 . MET 20 20 19438 1 . GLU 21 21 19438 1 . HIS 22 22 19438 1 . ILE 23 23 19438 1 . CYS 24 24 19438 1 . PRO 25 25 19438 1 . PRO 26 26 19438 1 . MET 27 27 19438 1 . VAL 28 28 19438 1 . ILE 29 29 19438 1 . GLY 30 30 19438 1 . ASP 31 31 19438 1 . ARG 32 32 19438 1 . SER 33 33 19438 1 . TYR 34 34 19438 1 . ASP 35 35 19438 1 . ILE 36 36 19438 1 . ALA 37 37 19438 1 . MET 38 38 19438 1 . GLU 39 39 19438 1 . ILE 40 40 19438 1 . VAL 41 41 19438 1 . ASN 42 42 19438 1 . GLY 43 43 19438 1 . VAL 44 44 19438 1 . ASP 45 45 19438 1 . ARG 46 46 19438 1 . VAL 47 47 19438 1 . ILE 48 48 19438 1 . LYS 49 49 19438 1 . ALA 50 50 19438 1 . SER 51 51 19438 1 . PHE 52 52 19438 1 . ASN 53 53 19438 1 . ALA 54 54 19438 1 . SER 55 55 19438 1 . VAL 56 56 19438 1 . GLU 57 57 19438 1 . GLU 58 58 19438 1 . LEU 59 59 19438 1 . GLU 60 60 19438 1 . GLY 61 61 19438 1 . GLU 62 62 19438 1 . ASP 63 63 19438 1 . CYS 64 64 19438 1 . ASP 65 65 19438 1 . VAL 66 66 19438 1 . LEU 67 67 19438 1 . TYR 68 68 19438 1 . ARG 69 69 19438 1 . LYS 70 70 19438 1 . TYR 71 71 19438 1 . THR 72 72 19438 1 . LEU 73 73 19438 1 . GLU 74 74 19438 1 . LYS 75 75 19438 1 . GLU 76 76 19438 1 . GLY 77 77 19438 1 . LYS 78 78 19438 1 . LYS 79 79 19438 1 . GLY 80 80 19438 1 . ILE 81 81 19438 1 . VAL 82 82 19438 1 . HIS 83 83 19438 1 . VAL 84 84 19438 1 . LYS 85 85 19438 1 . LEU 86 86 19438 1 . ARG 87 87 19438 1 . LYS 88 88 19438 1 . ILE 89 89 19438 1 . THR 90 90 19438 1 . GLU 91 91 19438 1 . ASN 92 92 19438 1 . CYS 93 93 19438 1 . PRO 94 94 19438 1 . PRO 95 95 19438 1 . VAL 96 96 19438 1 . ASP 97 97 19438 1 . GLY 98 98 19438 1 . ASN 99 99 19438 1 . ARG 100 100 19438 1 . CYS 101 101 19438 1 . SER 102 102 19438 1 . VAL 103 103 19438 1 . LEU 104 104 19438 1 . GLU 105 105 19438 1 . PHE 106 106 19438 1 . GLU 107 107 19438 1 . ARG 108 108 19438 1 . ASP 109 109 19438 1 . ILE 110 110 19438 1 . GLU 111 111 19438 1 . CYS 112 112 19438 1 . ILE 113 113 19438 1 . VAL 114 114 19438 1 . LYS 115 115 19438 1 . ALA 116 116 19438 1 . ILE 117 117 19438 1 . GLU 118 118 19438 1 . GLU 119 119 19438 1 . CYS 120 120 19438 1 . LEU 121 121 19438 1 . ALA 122 122 19438 1 . LYS 123 123 19438 1 . GLY 124 124 19438 1 . GLU 125 125 19438 1 . LEU 126 126 19438 1 . ASN 127 127 19438 1 . SER 128 128 19438 1 . LYS 129 129 19438 1 . LEU 130 130 19438 1 . GLU 131 131 19438 1 . GLY 132 132 19438 1 . LYS 133 133 19438 1 . PRO 134 134 19438 1 . ILE 135 135 19438 1 . PRO 136 136 19438 1 . ASN 137 137 19438 1 . PRO 138 138 19438 1 . LEU 139 139 19438 1 . LEU 140 140 19438 1 . GLY 141 141 19438 1 . LEU 142 142 19438 1 . ASP 143 143 19438 1 . SER 144 144 19438 1 . THR 145 145 19438 1 . ARG 146 146 19438 1 . THR 147 147 19438 1 . GLY 148 148 19438 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 19438 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $Tgam . 9606 organism . 'Homo sapiens' human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 19438 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 19438 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $Tgam . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . Ecoli . . . . . . 19438 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 19438 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 H2O 'natural abundance' . . . . . . 90 . . % . . . . 19438 1 2 D2O 'natural abundance' . . . . . . 10 . . % . . . . 19438 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 19438 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.2 0.01 M 19438 1 pH 6.60 0.01 pH 19438 1 pressure 1 . atm 19438 1 temperature 305 0.1 K 19438 1 stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 19438 _Software.ID 1 _Software.Name CYANA _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 19438 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'geometry optimization' 19438 1 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 19438 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 19438 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 700 . . . 19438 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 19438 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19438 1 2 '3D HNCA' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19438 1 3 '3D CBCA(CO)NH' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19438 1 4 '3D 1H-15N NOESY' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19438 1 5 '3D 1H-13C NOESY' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19438 1 stop_ save_ save_NMR_spectrometer_expt _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt _NMR_spec_expt.Entry_ID 19438 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name . _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $CYANA _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . 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 19438 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 other . . . . . . . . 19438 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 other . . . . . . . . 19438 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 other . . . . . . . . 19438 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 19438 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 19438 1 2 '3D HNCA' . . . 19438 1 3 '3D CBCA(CO)NH' . . . 19438 1 4 '3D 1H-15N NOESY' . . . 19438 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET HA H 1 4.103 0.01 . 1 . . . A 1 MET HA . 19438 1 2 . 1 1 1 1 MET C C 13 172.58 0.01 . 1 . . . A 1 MET C . 19438 1 3 . 1 1 1 1 MET CA C 13 55.20 0.01 . 1 . . . A 1 MET CA . 19438 1 4 . 1 1 1 1 MET CB C 13 33.86 0.01 . 1 . . . A 1 MET CB . 19438 1 5 . 1 1 2 2 LYS H H 1 8.620 0.01 . 1 . . . A 2 LYS H . 19438 1 6 . 1 1 2 2 LYS HA H 1 4.81 0.01 . 1 . . . A 2 LYS HA . 19438 1 7 . 1 1 2 2 LYS C C 13 173.64 0.01 . 1 . . . A 2 LYS C . 19438 1 8 . 1 1 2 2 LYS CA C 13 53.96 0.01 . 1 . . . A 2 LYS CA . 19438 1 9 . 1 1 2 2 LYS CB C 13 34.85 0.01 . 1 . . . A 2 LYS CB . 19438 1 10 . 1 1 2 2 LYS N N 15 124.74 0.01 . 1 . . . A 2 LYS N . 19438 1 11 . 1 1 3 3 TYR H H 1 8.927 0.01 . 1 . . . A 3 TYR H . 19438 1 12 . 1 1 3 3 TYR HA H 1 5.252 0.01 . 1 . . . A 3 TYR HA . 19438 1 13 . 1 1 3 3 TYR C C 13 174.92 0.01 . 1 . . . A 3 TYR C . 19438 1 14 . 1 1 3 3 TYR CA C 13 57.36 0.01 . 1 . . . A 3 TYR CA . 19438 1 15 . 1 1 3 3 TYR CB C 13 43.17 0.01 . 1 . . . A 3 TYR CB . 19438 1 16 . 1 1 3 3 TYR N N 15 114.84 0.01 . 1 . . . A 3 TYR N . 19438 1 17 . 1 1 4 4 ASP H H 1 9.170 0.01 . 1 . . . A 4 ASP H . 19438 1 18 . 1 1 4 4 ASP HA H 1 5.479 0.01 . 1 . . . A 4 ASP HA . 19438 1 19 . 1 1 4 4 ASP C C 13 175.78 0.01 . 1 . . . A 4 ASP C . 19438 1 20 . 1 1 4 4 ASP CA C 13 52.90 0.01 . 1 . . . A 4 ASP CA . 19438 1 21 . 1 1 4 4 ASP CB C 13 43.97 0.01 . 1 . . . A 4 ASP CB . 19438 1 22 . 1 1 4 4 ASP N N 15 119.79 0.01 . 1 . . . A 4 ASP N . 19438 1 23 . 1 1 5 5 VAL H H 1 8.733 0.01 . 1 . . . A 5 VAL H . 19438 1 24 . 1 1 5 5 VAL HA H 1 4.722 0.01 . 1 . . . A 5 VAL HA . 19438 1 25 . 1 1 5 5 VAL C C 13 174.52 0.01 . 1 . . . A 5 VAL C . 19438 1 26 . 1 1 5 5 VAL CA C 13 62.10 0.01 . 1 . . . A 5 VAL CA . 19438 1 27 . 1 1 5 5 VAL CB C 13 31.72 0.01 . 1 . . . A 5 VAL CB . 19438 1 28 . 1 1 5 5 VAL N N 15 122.03 0.01 . 1 . . . A 5 VAL N . 19438 1 29 . 1 1 6 6 VAL H H 1 9.338 0.01 . 1 . . . A 6 VAL H . 19438 1 30 . 1 1 6 6 VAL HA H 1 4.646 0.01 . 1 . . . A 6 VAL HA . 19438 1 31 . 1 1 6 6 VAL C C 13 174.33 0.01 . 1 . . . A 6 VAL C . 19438 1 32 . 1 1 6 6 VAL CA C 13 61.75 0.01 . 1 . . . A 6 VAL CA . 19438 1 33 . 1 1 6 6 VAL CB C 13 34.06 0.01 . 1 . . . A 6 VAL CB . 19438 1 34 . 1 1 6 6 VAL N N 15 128.38 0.01 . 1 . . . A 6 VAL N . 19438 1 35 . 1 1 7 7 ILE H H 1 9.295 0.01 . 1 . . . A 7 ILE H . 19438 1 36 . 1 1 7 7 ILE HA H 1 5.160 0.01 . 1 . . . A 7 ILE HA . 19438 1 37 . 1 1 7 7 ILE C C 13 175.26 0.01 . 1 . . . A 7 ILE C . 19438 1 38 . 1 1 7 7 ILE CA C 13 60.21 0.01 . 1 . . . A 7 ILE CA . 19438 1 39 . 1 1 7 7 ILE CB C 13 40.10 0.01 . 1 . . . A 7 ILE CB . 19438 1 40 . 1 1 7 7 ILE N N 15 127.54 0.01 . 1 . . . A 7 ILE N . 19438 1 41 . 1 1 8 8 ILE H H 1 9.573 0.01 . 1 . . . A 8 ILE H . 19438 1 42 . 1 1 8 8 ILE HA H 1 4.762 0.01 . 1 . . . A 8 ILE HA . 19438 1 43 . 1 1 8 8 ILE CA C 13 58.79 0.01 . 1 . . . A 8 ILE CA . 19438 1 44 . 1 1 8 8 ILE CB C 13 41.10 0.01 . 1 . . . A 8 ILE CB . 19438 1 45 . 1 1 8 8 ILE N N 15 126.5 0.01 . 1 . . . A 8 ILE N . 19438 1 46 . 1 1 9 9 PRO HA H 1 5.325 0.01 . 1 . . . A 9 PRO HA . 19438 1 47 . 1 1 9 9 PRO C C 13 174.39 0.01 . 1 . . . A 9 PRO C . 19438 1 48 . 1 1 9 9 PRO CA C 13 61.07 0.01 . 1 . . . A 9 PRO CA . 19438 1 49 . 1 1 9 9 PRO CB C 13 31.6 0.01 . 1 . . . A 9 PRO CB . 19438 1 50 . 1 1 10 10 GLU H H 1 9.218 0.01 . 1 . . . A 10 GLU H . 19438 1 51 . 1 1 10 10 GLU HA H 1 4.773 0.01 . 1 . . . A 10 GLU HA . 19438 1 52 . 1 1 10 10 GLU C C 13 174.95 0.01 . 1 . . . A 10 GLU C . 19438 1 53 . 1 1 10 10 GLU CA C 13 55.6 0.01 . 1 . . . A 10 GLU CA . 19438 1 54 . 1 1 10 10 GLU CB C 13 33.98 0.01 . 1 . . . A 10 GLU CB . 19438 1 55 . 1 1 10 10 GLU N N 15 120.48 0.01 . 1 . . . A 10 GLU N . 19438 1 56 . 1 1 11 11 SER H H 1 8.595 0.01 . 1 . . . A 11 SER H . 19438 1 57 . 1 1 11 11 SER HA H 1 4.686 0.01 . 1 . . . A 11 SER HA . 19438 1 58 . 1 1 11 11 SER C C 13 174.46 0.01 . 1 . . . A 11 SER C . 19438 1 59 . 1 1 11 11 SER CA C 13 57.49 0.01 . 1 . . . A 11 SER CA . 19438 1 60 . 1 1 11 11 SER CB C 13 64.82 0.01 . 1 . . . A 11 SER CB . 19438 1 61 . 1 1 11 11 SER N N 15 117.47 0.01 . 1 . . . A 11 SER N . 19438 1 62 . 1 1 12 12 PHE H H 1 8.298 0.01 . 1 . . . A 12 PHE H . 19438 1 63 . 1 1 12 12 PHE HA H 1 4.671 0.01 . 1 . . . A 12 PHE HA . 19438 1 64 . 1 1 12 12 PHE C C 13 175.44 0.01 . 1 . . . A 12 PHE C . 19438 1 65 . 1 1 12 12 PHE CA C 13 58.58 0.01 . 1 . . . A 12 PHE CA . 19438 1 66 . 1 1 12 12 PHE CB C 13 39.94 0.01 . 1 . . . A 12 PHE CB . 19438 1 67 . 1 1 12 12 PHE N N 15 122.76 0.01 . 1 . . . A 12 PHE N . 19438 1 68 . 1 1 13 13 HIS H H 1 8.243 0.01 . 1 . . . A 13 HIS H . 19438 1 69 . 1 1 13 13 HIS HA H 1 4.615 0.01 . 1 . . . A 13 HIS HA . 19438 1 70 . 1 1 13 13 HIS C C 13 174.53 0.01 . 1 . . . A 13 HIS C . 19438 1 71 . 1 1 13 13 HIS CA C 13 55.61 0.01 . 1 . . . A 13 HIS CA . 19438 1 72 . 1 1 13 13 HIS CB C 13 31.00 0.01 . 1 . . . A 13 HIS CB . 19438 1 73 . 1 1 13 13 HIS N N 15 120.60 0.01 . 1 . . . A 13 HIS N . 19438 1 74 . 1 1 14 14 ARG H H 1 8.320 0.01 . 1 . . . A 14 ARG H . 19438 1 75 . 1 1 14 14 ARG HA H 1 4.219 0.01 . 1 . . . A 14 ARG HA . 19438 1 76 . 1 1 14 14 ARG C C 13 176.07 0.01 . 1 . . . A 14 ARG C . 19438 1 77 . 1 1 14 14 ARG CA C 13 56.58 0.01 . 1 . . . A 14 ARG CA . 19438 1 78 . 1 1 14 14 ARG CB C 13 30.79 0.01 . 1 . . . A 14 ARG CB . 19438 1 79 . 1 1 14 14 ARG N N 15 122.29 0.01 . 1 . . . A 14 ARG N . 19438 1 80 . 1 1 15 15 PHE H H 1 8.409 0.01 . 1 . . . A 15 PHE H . 19438 1 81 . 1 1 15 15 PHE HA H 1 4.696 0.01 . 1 . . . A 15 PHE HA . 19438 1 82 . 1 1 15 15 PHE C C 13 175.55 0.01 . 1 . . . A 15 PHE C . 19438 1 83 . 1 1 15 15 PHE CA C 13 57.63 0.01 . 1 . . . A 15 PHE CA . 19438 1 84 . 1 1 15 15 PHE CB C 13 39.92 0.01 . 1 . . . A 15 PHE CB . 19438 1 85 . 1 1 15 15 PHE N N 15 120.22 0.01 . 1 . . . A 15 PHE N . 19438 1 86 . 1 1 16 16 ASP H H 1 8.397 0.01 . 1 . . . A 16 ASP H . 19438 1 87 . 1 1 16 16 ASP HA H 1 4.551 0.01 . 1 . . . A 16 ASP HA . 19438 1 88 . 1 1 16 16 ASP C C 13 176.59 0.01 . 1 . . . A 16 ASP C . 19438 1 89 . 1 1 16 16 ASP CA C 13 54.18 0.01 . 1 . . . A 16 ASP CA . 19438 1 90 . 1 1 16 16 ASP CB C 13 41.41 0.01 . 1 . . . A 16 ASP CB . 19438 1 91 . 1 1 16 16 ASP N N 15 121.37 0.01 . 1 . . . A 16 ASP N . 19438 1 92 . 1 1 17 17 LYS H H 1 8.188 0.01 . 1 . . . A 17 LYS H . 19438 1 93 . 1 1 17 17 LYS HA H 1 4.167 0.01 . 1 . . . A 17 LYS HA . 19438 1 94 . 1 1 17 17 LYS C C 13 176.55 0.01 . 1 . . . A 17 LYS C . 19438 1 95 . 1 1 17 17 LYS CA C 13 57.11 0.01 . 1 . . . A 17 LYS CA . 19438 1 96 . 1 1 17 17 LYS CB C 13 32.42 0.01 . 1 . . . A 17 LYS CB . 19438 1 97 . 1 1 17 17 LYS N N 15 119.88 0.01 . 1 . . . A 17 LYS N . 19438 1 98 . 1 1 18 18 HIS H H 1 8.339 0.01 . 1 . . . A 18 HIS H . 19438 1 99 . 1 1 18 18 HIS HA H 1 4.650 0.01 . 1 . . . A 18 HIS HA . 19438 1 100 . 1 1 18 18 HIS C C 13 175.02 0.01 . 1 . . . A 18 HIS C . 19438 1 101 . 1 1 18 18 HIS CA C 13 56.26 0.01 . 1 . . . A 18 HIS CA . 19438 1 102 . 1 1 18 18 HIS CB C 13 30.01 0.01 . 1 . . . A 18 HIS CB . 19438 1 103 . 1 1 18 18 HIS N N 15 118.39 0.01 . 1 . . . A 18 HIS N . 19438 1 104 . 1 1 19 19 ASN H H 1 8.287 0.01 . 1 . . . A 19 ASN H . 19438 1 105 . 1 1 19 19 ASN HA H 1 4.672 0.01 . 1 . . . A 19 ASN HA . 19438 1 106 . 1 1 19 19 ASN C C 13 175.17 0.01 . 1 . . . A 19 ASN C . 19438 1 107 . 1 1 19 19 ASN CA C 13 53.80 0.01 . 1 . . . A 19 ASN CA . 19438 1 108 . 1 1 19 19 ASN CB C 13 38.73 0.01 . 1 . . . A 19 ASN CB . 19438 1 109 . 1 1 19 19 ASN N N 15 118.70 0.01 . 1 . . . A 19 ASN N . 19438 1 110 . 1 1 20 20 MET H H 1 8.495 0.01 . 1 . . . A 20 MET H . 19438 1 111 . 1 1 20 20 MET HA H 1 4.475 0.01 . 1 . . . A 20 MET HA . 19438 1 112 . 1 1 20 20 MET C C 13 176.47 0.01 . 1 . . . A 20 MET C . 19438 1 113 . 1 1 20 20 MET CA C 13 55.64 0.01 . 1 . . . A 20 MET CA . 19438 1 114 . 1 1 20 20 MET CB C 13 33.50 0.01 . 1 . . . A 20 MET CB . 19438 1 115 . 1 1 20 20 MET N N 15 120.14 0.01 . 1 . . . A 20 MET N . 19438 1 116 . 1 1 21 21 GLU H H 1 8.450 0.01 . 1 . . . A 21 GLU H . 19438 1 117 . 1 1 21 21 GLU HA H 1 4.201 0.01 . 1 . . . A 21 GLU HA . 19438 1 118 . 1 1 21 21 GLU C C 13 176.38 0.01 . 1 . . . A 21 GLU C . 19438 1 119 . 1 1 21 21 GLU CA C 13 57.33 0.01 . 1 . . . A 21 GLU CA . 19438 1 120 . 1 1 21 21 GLU CB C 13 30.08 0.01 . 1 . . . A 21 GLU CB . 19438 1 121 . 1 1 21 21 GLU N N 15 120.92 0.01 . 1 . . . A 21 GLU N . 19438 1 122 . 1 1 22 22 HIS H H 1 8.334 0.01 . 1 . . . A 22 HIS H . 19438 1 123 . 1 1 22 22 HIS HA H 1 4.687 0.01 . 1 . . . A 22 HIS HA . 19438 1 124 . 1 1 22 22 HIS C C 13 174.47 0.01 . 1 . . . A 22 HIS C . 19438 1 125 . 1 1 22 22 HIS CA C 13 55.98 0.01 . 1 . . . A 22 HIS CA . 19438 1 126 . 1 1 22 22 HIS CB C 13 30.53 0.01 . 1 . . . A 22 HIS CB . 19438 1 127 . 1 1 22 22 HIS N N 15 119.65 0.01 . 1 . . . A 22 HIS N . 19438 1 128 . 1 1 23 23 ILE H H 1 7.782 0.01 . 1 . . . A 23 ILE H . 19438 1 129 . 1 1 23 23 ILE HA H 1 4.151 0.01 . 1 . . . A 23 ILE HA . 19438 1 130 . 1 1 23 23 ILE C C 13 175.87 0.01 . 1 . . . A 23 ILE C . 19438 1 131 . 1 1 23 23 ILE CA C 13 61.17 0.01 . 1 . . . A 23 ILE CA . 19438 1 132 . 1 1 23 23 ILE CB C 13 38.85 0.01 . 1 . . . A 23 ILE CB . 19438 1 133 . 1 1 23 23 ILE N N 15 121.91 0.01 . 1 . . . A 23 ILE N . 19438 1 134 . 1 1 24 24 CYS H H 1 8.697 0.01 . 1 . . . A 24 CYS H . 19438 1 135 . 1 1 24 24 CYS HA H 1 4.794 0.01 . 1 . . . A 24 CYS HA . 19438 1 136 . 1 1 24 24 CYS CA C 13 53.13 0.01 . 1 . . . A 24 CYS CA . 19438 1 137 . 1 1 24 24 CYS CB C 13 42.47 0.01 . 1 . . . A 24 CYS CB . 19438 1 138 . 1 1 24 24 CYS N N 15 124.92 0.01 . 1 . . . A 24 CYS N . 19438 1 139 . 1 1 25 25 PRO HA H 1 4.730 0.01 . 1 . . . A 25 PRO HA . 19438 1 140 . 1 1 26 26 PRO HA H 1 4.754 0.01 . 1 . . . A 26 PRO HA . 19438 1 141 . 1 1 26 26 PRO C C 13 175.82 0.01 . 1 . . . A 26 PRO C . 19438 1 142 . 1 1 26 26 PRO CA C 13 62.58 0.01 . 1 . . . A 26 PRO CA . 19438 1 143 . 1 1 26 26 PRO CB C 13 32.59 0.01 . 1 . . . A 26 PRO CB . 19438 1 144 . 1 1 27 27 MET H H 1 9.055 0.01 . 1 . . . A 27 MET H . 19438 1 145 . 1 1 27 27 MET HA H 1 5.180 0.01 . 1 . . . A 27 MET HA . 19438 1 146 . 1 1 27 27 MET C C 13 174.81 0.01 . 1 . . . A 27 MET C . 19438 1 147 . 1 1 27 27 MET CA C 13 53.27 0.01 . 1 . . . A 27 MET CA . 19438 1 148 . 1 1 27 27 MET CB C 13 34.58 0.01 . 1 . . . A 27 MET CB . 19438 1 149 . 1 1 27 27 MET N N 15 120.58 0.01 . 1 . . . A 27 MET N . 19438 1 150 . 1 1 28 28 VAL H H 1 8.575 0.01 . 1 . . . A 28 VAL H . 19438 1 151 . 1 1 28 28 VAL HA H 1 5.093 0.01 . 1 . . . A 28 VAL HA . 19438 1 152 . 1 1 28 28 VAL C C 13 175.71 0.01 . 1 . . . A 28 VAL C . 19438 1 153 . 1 1 28 28 VAL CA C 13 60.65 0.01 . 1 . . . A 28 VAL CA . 19438 1 154 . 1 1 28 28 VAL CB C 13 35.47 0.01 . 1 . . . A 28 VAL CB . 19438 1 155 . 1 1 28 28 VAL N N 15 122.03 0.01 . 1 . . . A 28 VAL N . 19438 1 156 . 1 1 29 29 ILE H H 1 9.200 0.01 . 1 . . . A 29 ILE H . 19438 1 157 . 1 1 29 29 ILE HA H 1 4.366 0.01 . 1 . . . A 29 ILE HA . 19438 1 158 . 1 1 29 29 ILE C C 13 176.49 0.01 . 1 . . . A 29 ILE C . 19438 1 159 . 1 1 29 29 ILE CA C 13 61.26 0.01 . 1 . . . A 29 ILE CA . 19438 1 160 . 1 1 29 29 ILE CB C 13 37.96 0.01 . 1 . . . A 29 ILE CB . 19438 1 161 . 1 1 29 29 ILE N N 15 129.44 0.01 . 1 . . . A 29 ILE N . 19438 1 162 . 1 1 30 30 GLY H H 1 8.525 0.01 . 1 . . . A 30 GLY H . 19438 1 163 . 1 1 30 30 GLY HA2 H 1 3.687 0.01 . 2 . . . A 30 GLY HA2 . 19438 1 164 . 1 1 30 30 GLY HA3 H 1 4.932 0.01 . 2 . . . A 30 GLY HA3 . 19438 1 165 . 1 1 30 30 GLY C C 13 175.35 0.01 . 1 . . . A 30 GLY C . 19438 1 166 . 1 1 30 30 GLY CA C 13 46.11 0.01 . 1 . . . A 30 GLY CA . 19438 1 167 . 1 1 30 30 GLY N N 15 112.58 0.01 . 1 . . . A 30 GLY N . 19438 1 168 . 1 1 31 31 ASP H H 1 9.133 0.01 . 1 . . . A 31 ASP H . 19438 1 169 . 1 1 31 31 ASP HA H 1 4.103 0.01 . 1 . . . A 31 ASP HA . 19438 1 170 . 1 1 31 31 ASP C C 13 175.53 0.01 . 1 . . . A 31 ASP C . 19438 1 171 . 1 1 31 31 ASP CA C 13 55.53 0.01 . 1 . . . A 31 ASP CA . 19438 1 172 . 1 1 31 31 ASP CB C 13 39.62 0.01 . 1 . . . A 31 ASP CB . 19438 1 173 . 1 1 31 31 ASP N N 15 121.32 0.01 . 1 . . . A 31 ASP N . 19438 1 174 . 1 1 32 32 ARG H H 1 9.529 0.01 . 1 . . . A 32 ARG H . 19438 1 175 . 1 1 32 32 ARG HA H 1 5.031 0.01 . 1 . . . A 32 ARG HA . 19438 1 176 . 1 1 32 32 ARG C C 13 177.06 0.01 . 1 . . . A 32 ARG C . 19438 1 177 . 1 1 32 32 ARG CA C 13 52.79 0.01 . 1 . . . A 32 ARG CA . 19438 1 178 . 1 1 32 32 ARG CB C 13 34.65 0.01 . 1 . . . A 32 ARG CB . 19438 1 179 . 1 1 32 32 ARG N N 15 117.60 0.01 . 1 . . . A 32 ARG N . 19438 1 180 . 1 1 33 33 SER H H 1 8.400 0.01 . 1 . . . A 33 SER H . 19438 1 181 . 1 1 33 33 SER HA H 1 4.819 0.01 . 1 . . . A 33 SER HA . 19438 1 182 . 1 1 33 33 SER C C 13 174.29 0.01 . 1 . . . A 33 SER C . 19438 1 183 . 1 1 33 33 SER CA C 13 58.13 0.01 . 1 . . . A 33 SER CA . 19438 1 184 . 1 1 33 33 SER CB C 13 64.53 0.01 . 1 . . . A 33 SER CB . 19438 1 185 . 1 1 33 33 SER N N 15 116.15 0.01 . 1 . . . A 33 SER N . 19438 1 186 . 1 1 34 34 TYR H H 1 9.456 0.01 . 1 . . . A 34 TYR H . 19438 1 187 . 1 1 34 34 TYR HA H 1 3.385 0.01 . 1 . . . A 34 TYR HA . 19438 1 188 . 1 1 34 34 TYR C C 13 176.28 0.01 . 1 . . . A 34 TYR C . 19438 1 189 . 1 1 34 34 TYR CA C 13 63.06 0.01 . 1 . . . A 34 TYR CA . 19438 1 190 . 1 1 34 34 TYR CB C 13 38.35 0.01 . 1 . . . A 34 TYR CB . 19438 1 191 . 1 1 34 34 TYR N N 15 122.11 0.01 . 1 . . . A 34 TYR N . 19438 1 192 . 1 1 35 35 ASP H H 1 8.611 0.01 . 1 . . . A 35 ASP H . 19438 1 193 . 1 1 35 35 ASP HA H 1 4.066 0.01 . 1 . . . A 35 ASP HA . 19438 1 194 . 1 1 35 35 ASP C C 13 179.46 0.01 . 1 . . . A 35 ASP C . 19438 1 195 . 1 1 35 35 ASP CA C 13 57.38 0.01 . 1 . . . A 35 ASP CA . 19438 1 196 . 1 1 35 35 ASP CB C 13 39.84 0.01 . 1 . . . A 35 ASP CB . 19438 1 197 . 1 1 35 35 ASP N N 15 114.64 0.01 . 1 . . . A 35 ASP N . 19438 1 198 . 1 1 36 36 ILE H H 1 7.298 0.01 . 1 . . . A 36 ILE H . 19438 1 199 . 1 1 36 36 ILE HA H 1 3.848 0.01 . 1 . . . A 36 ILE HA . 19438 1 200 . 1 1 36 36 ILE C C 13 178.00 0.01 . 1 . . . A 36 ILE C . 19438 1 201 . 1 1 36 36 ILE CA C 13 62.66 0.01 . 1 . . . A 36 ILE CA . 19438 1 202 . 1 1 36 36 ILE CB C 13 36.70 0.01 . 1 . . . A 36 ILE CB . 19438 1 203 . 1 1 36 36 ILE N N 15 120.86 0.01 . 1 . . . A 36 ILE N . 19438 1 204 . 1 1 37 37 ALA H H 1 8.906 0.01 . 1 . . . A 37 ALA H . 19438 1 205 . 1 1 37 37 ALA HA H 1 3.732 0.01 . 1 . . . A 37 ALA HA . 19438 1 206 . 1 1 37 37 ALA C C 13 179.72 0.01 . 1 . . . A 37 ALA C . 19438 1 207 . 1 1 37 37 ALA CA C 13 55.72 0.01 . 1 . . . A 37 ALA CA . 19438 1 208 . 1 1 37 37 ALA CB C 13 17.98 0.01 . 1 . . . A 37 ALA CB . 19438 1 209 . 1 1 37 37 ALA N N 15 123.26 0.01 . 1 . . . A 37 ALA N . 19438 1 210 . 1 1 38 38 MET H H 1 8.237 0.01 . 1 . . . A 38 MET H . 19438 1 211 . 1 1 38 38 MET HA H 1 4.282 0.01 . 1 . . . A 38 MET HA . 19438 1 212 . 1 1 38 38 MET C C 13 178.94 0.01 . 1 . . . A 38 MET C . 19438 1 213 . 1 1 38 38 MET CA C 13 55.94 0.01 . 1 . . . A 38 MET CA . 19438 1 214 . 1 1 38 38 MET CB C 13 29.57 0.01 . 1 . . . A 38 MET CB . 19438 1 215 . 1 1 38 38 MET N N 15 114.90 0.01 . 1 . . . A 38 MET N . 19438 1 216 . 1 1 39 39 GLU H H 1 7.517 0.01 . 1 . . . A 39 GLU H . 19438 1 217 . 1 1 39 39 GLU HA H 1 4.101 0.01 . 1 . . . A 39 GLU HA . 19438 1 218 . 1 1 39 39 GLU C C 13 180.88 0.01 . 1 . . . A 39 GLU C . 19438 1 219 . 1 1 39 39 GLU CA C 13 59.63 0.01 . 1 . . . A 39 GLU CA . 19438 1 220 . 1 1 39 39 GLU CB C 13 29.05 0.01 . 1 . . . A 39 GLU CB . 19438 1 221 . 1 1 39 39 GLU N N 15 120.02 0.01 . 1 . . . A 39 GLU N . 19438 1 222 . 1 1 40 40 ILE H H 1 8.220 0.01 . 1 . . . A 40 ILE H . 19438 1 223 . 1 1 40 40 ILE HA H 1 3.710 0.01 . 1 . . . A 40 ILE HA . 19438 1 224 . 1 1 40 40 ILE C C 13 177.89 0.01 . 1 . . . A 40 ILE C . 19438 1 225 . 1 1 40 40 ILE CA C 13 65.24 0.01 . 1 . . . A 40 ILE CA . 19438 1 226 . 1 1 40 40 ILE CB C 13 36.90 0.01 . 1 . . . A 40 ILE CB . 19438 1 227 . 1 1 40 40 ILE N N 15 122.00 0.01 . 1 . . . A 40 ILE N . 19438 1 228 . 1 1 41 41 VAL H H 1 8.737 0.01 . 1 . . . A 41 VAL H . 19438 1 229 . 1 1 41 41 VAL HA H 1 3.386 0.01 . 1 . . . A 41 VAL HA . 19438 1 230 . 1 1 41 41 VAL C C 13 179.09 0.01 . 1 . . . A 41 VAL C . 19438 1 231 . 1 1 41 41 VAL CA C 13 67.86 0.01 . 1 . . . A 41 VAL CA . 19438 1 232 . 1 1 41 41 VAL CB C 13 31.33 0.01 . 1 . . . A 41 VAL CB . 19438 1 233 . 1 1 41 41 VAL N N 15 120.76 0.01 . 1 . . . A 41 VAL N . 19438 1 234 . 1 1 42 42 ASN H H 1 8.542 0.01 . 1 . . . A 42 ASN H . 19438 1 235 . 1 1 42 42 ASN HA H 1 4.607 0.01 . 1 . . . A 42 ASN HA . 19438 1 236 . 1 1 42 42 ASN C C 13 178.08 0.01 . 1 . . . A 42 ASN C . 19438 1 237 . 1 1 42 42 ASN CA C 13 55.88 0.01 . 1 . . . A 42 ASN CA . 19438 1 238 . 1 1 42 42 ASN CB C 13 37.49 0.01 . 1 . . . A 42 ASN CB . 19438 1 239 . 1 1 42 42 ASN N N 15 119.95 0.01 . 1 . . . A 42 ASN N . 19438 1 240 . 1 1 43 43 GLY H H 1 8.387 0.01 . 1 . . . A 43 GLY H . 19438 1 241 . 1 1 43 43 GLY HA2 H 1 3.674 0.01 . 2 . . . A 43 GLY HA2 . 19438 1 242 . 1 1 43 43 GLY HA3 H 1 3.899 0.01 . 2 . . . A 43 GLY HA3 . 19438 1 243 . 1 1 43 43 GLY C C 13 176.07 0.01 . 1 . . . A 43 GLY C . 19438 1 244 . 1 1 43 43 GLY CA C 13 47.59 0.01 . 1 . . . A 43 GLY CA . 19438 1 245 . 1 1 43 43 GLY N N 15 112.07 0.01 . 1 . . . A 43 GLY N . 19438 1 246 . 1 1 44 44 VAL H H 1 9.078 0.01 . 1 . . . A 44 VAL H . 19438 1 247 . 1 1 44 44 VAL HA H 1 3.527 0.01 . 1 . . . A 44 VAL HA . 19438 1 248 . 1 1 44 44 VAL C C 13 176.70 0.01 . 1 . . . A 44 VAL C . 19438 1 249 . 1 1 44 44 VAL CA C 13 66.84 0.01 . 1 . . . A 44 VAL CA . 19438 1 250 . 1 1 44 44 VAL CB C 13 31.25 0.01 . 1 . . . A 44 VAL CB . 19438 1 251 . 1 1 44 44 VAL N N 15 122.90 0.01 . 1 . . . A 44 VAL N . 19438 1 252 . 1 1 45 45 ASP H H 1 7.745 0.01 . 1 . . . A 45 ASP H . 19438 1 253 . 1 1 45 45 ASP HA H 1 4.192 0.01 . 1 . . . A 45 ASP HA . 19438 1 254 . 1 1 45 45 ASP C C 13 176.54 0.01 . 1 . . . A 45 ASP C . 19438 1 255 . 1 1 45 45 ASP CA C 13 58.49 0.01 . 1 . . . A 45 ASP CA . 19438 1 256 . 1 1 45 45 ASP CB C 13 42.94 0.01 . 1 . . . A 45 ASP CB . 19438 1 257 . 1 1 45 45 ASP N N 15 119.07 0.01 . 1 . . . A 45 ASP N . 19438 1 258 . 1 1 46 46 ARG H H 1 7.557 0.01 . 1 . . . A 46 ARG H . 19438 1 259 . 1 1 46 46 ARG HA H 1 3.994 0.01 . 1 . . . A 46 ARG HA . 19438 1 260 . 1 1 46 46 ARG C C 13 179.76 0.01 . 1 . . . A 46 ARG C . 19438 1 261 . 1 1 46 46 ARG CA C 13 59.63 0.01 . 1 . . . A 46 ARG CA . 19438 1 262 . 1 1 46 46 ARG CB C 13 30.19 0.01 . 1 . . . A 46 ARG CB . 19438 1 263 . 1 1 46 46 ARG N N 15 115.75 0.01 . 1 . . . A 46 ARG N . 19438 1 264 . 1 1 47 47 VAL H H 1 8.187 0.01 . 1 . . . A 47 VAL H . 19438 1 265 . 1 1 47 47 VAL HA H 1 3.912 0.01 . 1 . . . A 47 VAL HA . 19438 1 266 . 1 1 47 47 VAL C C 13 179.15 0.01 . 1 . . . A 47 VAL C . 19438 1 267 . 1 1 47 47 VAL CA C 13 66.04 0.01 . 1 . . . A 47 VAL CA . 19438 1 268 . 1 1 47 47 VAL CB C 13 31.77 0.01 . 1 . . . A 47 VAL CB . 19438 1 269 . 1 1 47 47 VAL N N 15 118.74 0.01 . 1 . . . A 47 VAL N . 19438 1 270 . 1 1 48 48 ILE H H 1 8.786 0.01 . 1 . . . A 48 ILE H . 19438 1 271 . 1 1 48 48 ILE HA H 1 3.697 0.01 . 1 . . . A 48 ILE HA . 19438 1 272 . 1 1 48 48 ILE C C 13 178.13 0.01 . 1 . . . A 48 ILE C . 19438 1 273 . 1 1 48 48 ILE CA C 13 66.64 0.01 . 1 . . . A 48 ILE CA . 19438 1 274 . 1 1 48 48 ILE CB C 13 36.63 0.01 . 1 . . . A 48 ILE CB . 19438 1 275 . 1 1 48 48 ILE N N 15 122.34 0.01 . 1 . . . A 48 ILE N . 19438 1 276 . 1 1 49 49 LYS H H 1 7.785 0.01 . 1 . . . A 49 LYS H . 19438 1 277 . 1 1 49 49 LYS HA H 1 4.059 0.01 . 1 . . . A 49 LYS HA . 19438 1 278 . 1 1 49 49 LYS C C 13 178.12 0.01 . 1 . . . A 49 LYS C . 19438 1 279 . 1 1 49 49 LYS CA C 13 60.27 0.01 . 1 . . . A 49 LYS CA . 19438 1 280 . 1 1 49 49 LYS CB C 13 33.10 0.01 . 1 . . . A 49 LYS CB . 19438 1 281 . 1 1 49 49 LYS N N 15 116.86 0.01 . 1 . . . A 49 LYS N . 19438 1 282 . 1 1 50 50 ALA H H 1 7.740 0.01 . 1 . . . A 50 ALA H . 19438 1 283 . 1 1 50 50 ALA HA H 1 4.356 0.01 . 1 . . . A 50 ALA HA . 19438 1 284 . 1 1 50 50 ALA C C 13 179.94 0.01 . 1 . . . A 50 ALA C . 19438 1 285 . 1 1 50 50 ALA CA C 13 53.96 0.01 . 1 . . . A 50 ALA CA . 19438 1 286 . 1 1 50 50 ALA CB C 13 19.36 0.01 . 1 . . . A 50 ALA CB . 19438 1 287 . 1 1 50 50 ALA N N 15 117.52 0.01 . 1 . . . A 50 ALA N . 19438 1 288 . 1 1 51 51 SER H H 1 7.957 0.01 . 1 . . . A 51 SER H . 19438 1 289 . 1 1 51 51 SER HA H 1 4.287 0.01 . 1 . . . A 51 SER HA . 19438 1 290 . 1 1 51 51 SER C C 13 172.84 0.01 . 1 . . . A 51 SER C . 19438 1 291 . 1 1 51 51 SER CA C 13 60.61 0.01 . 1 . . . A 51 SER CA . 19438 1 292 . 1 1 51 51 SER CB C 13 64.50 0.01 . 1 . . . A 51 SER CB . 19438 1 293 . 1 1 51 51 SER N N 15 111.86 0.01 . 1 . . . A 51 SER N . 19438 1 294 . 1 1 52 52 PHE H H 1 7.901 0.01 . 1 . . . A 52 PHE H . 19438 1 295 . 1 1 52 52 PHE HA H 1 4.777 0.01 . 1 . . . A 52 PHE HA . 19438 1 296 . 1 1 52 52 PHE C C 13 174.21 0.01 . 1 . . . A 52 PHE C . 19438 1 297 . 1 1 52 52 PHE CA C 13 56.29 0.01 . 1 . . . A 52 PHE CA . 19438 1 298 . 1 1 52 52 PHE CB C 13 42.58 0.01 . 1 . . . A 52 PHE CB . 19438 1 299 . 1 1 52 52 PHE N N 15 116.21 0.01 . 1 . . . A 52 PHE N . 19438 1 300 . 1 1 53 53 ASN H H 1 8.205 0.01 . 1 . . . A 53 ASN H . 19438 1 301 . 1 1 53 53 ASN HA H 1 4.902 0.01 . 1 . . . A 53 ASN HA . 19438 1 302 . 1 1 53 53 ASN C C 13 175.12 0.01 . 1 . . . A 53 ASN C . 19438 1 303 . 1 1 53 53 ASN CA C 13 53.95 0.01 . 1 . . . A 53 ASN CA . 19438 1 304 . 1 1 53 53 ASN CB C 13 37.55 0.01 . 1 . . . A 53 ASN CB . 19438 1 305 . 1 1 53 53 ASN N N 15 117.89 0.01 . 1 . . . A 53 ASN N . 19438 1 306 . 1 1 54 54 ALA H H 1 8.246 0.01 . 1 . . . A 54 ALA H . 19438 1 307 . 1 1 54 54 ALA HA H 1 5.441 0.01 . 1 . . . A 54 ALA HA . 19438 1 308 . 1 1 54 54 ALA C C 13 176.80 0.01 . 1 . . . A 54 ALA C . 19438 1 309 . 1 1 54 54 ALA CA C 13 51.56 0.01 . 1 . . . A 54 ALA CA . 19438 1 310 . 1 1 54 54 ALA CB C 13 24.08 0.01 . 1 . . . A 54 ALA CB . 19438 1 311 . 1 1 54 54 ALA N N 15 125.30 0.01 . 1 . . . A 54 ALA N . 19438 1 312 . 1 1 55 55 SER H H 1 8.606 0.01 . 1 . . . A 55 SER H . 19438 1 313 . 1 1 55 55 SER HA H 1 4.789 0.01 . 1 . . . A 55 SER HA . 19438 1 314 . 1 1 55 55 SER C C 13 172.83 0.01 . 1 . . . A 55 SER C . 19438 1 315 . 1 1 55 55 SER CA C 13 57.20 0.01 . 1 . . . A 55 SER CA . 19438 1 316 . 1 1 55 55 SER CB C 13 65.46 0.01 . 1 . . . A 55 SER CB . 19438 1 317 . 1 1 55 55 SER N N 15 115.85 0.01 . 1 . . . A 55 SER N . 19438 1 318 . 1 1 56 56 VAL H H 1 8.648 0.01 . 1 . . . A 56 VAL H . 19438 1 319 . 1 1 56 56 VAL HA H 1 4.794 0.01 . 1 . . . A 56 VAL HA . 19438 1 320 . 1 1 56 56 VAL C C 13 173.16 0.01 . 1 . . . A 56 VAL C . 19438 1 321 . 1 1 56 56 VAL CA C 13 60.01 0.01 . 1 . . . A 56 VAL CA . 19438 1 322 . 1 1 56 56 VAL CB C 13 35.57 0.01 . 1 . . . A 56 VAL CB . 19438 1 323 . 1 1 56 56 VAL N N 15 121.70 0.01 . 1 . . . A 56 VAL N . 19438 1 324 . 1 1 57 57 GLU H H 1 8.122 0.01 . 1 . . . A 57 GLU H . 19438 1 325 . 1 1 57 57 GLU HA H 1 4.512 0.01 . 1 . . . A 57 GLU HA . 19438 1 326 . 1 1 57 57 GLU C C 13 174.09 0.01 . 1 . . . A 57 GLU C . 19438 1 327 . 1 1 57 57 GLU CA C 13 54.55 0.01 . 1 . . . A 57 GLU CA . 19438 1 328 . 1 1 57 57 GLU CB C 13 33.91 0.01 . 1 . . . A 57 GLU CB . 19438 1 329 . 1 1 57 57 GLU N N 15 126.13 0.01 . 1 . . . A 57 GLU N . 19438 1 330 . 1 1 58 58 GLU H H 1 8.610 0.01 . 1 . . . A 58 GLU H . 19438 1 331 . 1 1 58 58 GLU HA H 1 4.687 0.01 . 1 . . . A 58 GLU HA . 19438 1 332 . 1 1 58 58 GLU C C 13 175.41 0.01 . 1 . . . A 58 GLU C . 19438 1 333 . 1 1 58 58 GLU CA C 13 55.99 0.01 . 1 . . . A 58 GLU CA . 19438 1 334 . 1 1 58 58 GLU CB C 13 30.33 0.01 . 1 . . . A 58 GLU CB . 19438 1 335 . 1 1 58 58 GLU N N 15 124.74 0.01 . 1 . . . A 58 GLU N . 19438 1 336 . 1 1 59 59 LEU H H 1 8.259 0.01 . 1 . . . A 59 LEU H . 19438 1 337 . 1 1 59 59 LEU HA H 1 4.711 0.01 . 1 . . . A 59 LEU HA . 19438 1 338 . 1 1 59 59 LEU C C 13 175.97 0.01 . 1 . . . A 59 LEU C . 19438 1 339 . 1 1 59 59 LEU CA C 13 53.78 0.01 . 1 . . . A 59 LEU CA . 19438 1 340 . 1 1 59 59 LEU CB C 13 45.32 0.01 . 1 . . . A 59 LEU CB . 19438 1 341 . 1 1 59 59 LEU N N 15 126.78 0.01 . 1 . . . A 59 LEU N . 19438 1 342 . 1 1 60 60 GLU H H 1 8.258 0.01 . 1 . . . A 60 GLU H . 19438 1 343 . 1 1 60 60 GLU HA H 1 4.348 0.01 . 1 . . . A 60 GLU HA . 19438 1 344 . 1 1 60 60 GLU C C 13 177.56 0.01 . 1 . . . A 60 GLU C . 19438 1 345 . 1 1 60 60 GLU CA C 13 57.34 0.01 . 1 . . . A 60 GLU CA . 19438 1 346 . 1 1 60 60 GLU CB C 13 30.26 0.01 . 1 . . . A 60 GLU CB . 19438 1 347 . 1 1 60 60 GLU N N 15 119.81 0.01 . 1 . . . A 60 GLU N . 19438 1 348 . 1 1 61 61 GLY H H 1 8.726 0.01 . 1 . . . A 61 GLY H . 19438 1 349 . 1 1 61 61 GLY HA2 H 1 3.916 0.01 . 2 . . . A 61 GLY HA2 . 19438 1 350 . 1 1 61 61 GLY HA3 H 1 4.353 0.01 . 2 . . . A 61 GLY HA3 . 19438 1 351 . 1 1 61 61 GLY C C 13 174.32 0.01 . 1 . . . A 61 GLY C . 19438 1 352 . 1 1 61 61 GLY CA C 13 44.57 0.01 . 1 . . . A 61 GLY CA . 19438 1 353 . 1 1 61 61 GLY N N 15 117.72 0.01 . 1 . . . A 61 GLY N . 19438 1 354 . 1 1 62 62 GLU H H 1 9.337 0.01 . 1 . . . A 62 GLU H . 19438 1 355 . 1 1 62 62 GLU HA H 1 4.531 0.01 . 1 . . . A 62 GLU HA . 19438 1 356 . 1 1 62 62 GLU C C 13 177.69 0.01 . 1 . . . A 62 GLU C . 19438 1 357 . 1 1 62 62 GLU CA C 13 55.55 0.01 . 1 . . . A 62 GLU CA . 19438 1 358 . 1 1 62 62 GLU CB C 13 31.30 0.01 . 1 . . . A 62 GLU CB . 19438 1 359 . 1 1 62 62 GLU N N 15 121.70 0.01 . 1 . . . A 62 GLU N . 19438 1 360 . 1 1 63 63 ASP H H 1 8.632 0.01 . 1 . . . A 63 ASP H . 19438 1 361 . 1 1 63 63 ASP HA H 1 4.330 0.01 . 1 . . . A 63 ASP HA . 19438 1 362 . 1 1 63 63 ASP C C 13 178.08 0.01 . 1 . . . A 63 ASP C . 19438 1 363 . 1 1 63 63 ASP CA C 13 57.93 0.01 . 1 . . . A 63 ASP CA . 19438 1 364 . 1 1 63 63 ASP CB C 13 40.77 0.01 . 1 . . . A 63 ASP CB . 19438 1 365 . 1 1 63 63 ASP N N 15 120.76 0.01 . 1 . . . A 63 ASP N . 19438 1 366 . 1 1 64 64 CYS H H 1 7.962 0.01 . 1 . . . A 64 CYS H . 19438 1 367 . 1 1 64 64 CYS HA H 1 4.432 0.01 . 1 . . . A 64 CYS HA . 19438 1 368 . 1 1 64 64 CYS C C 13 173.70 0.01 . 1 . . . A 64 CYS C . 19438 1 369 . 1 1 64 64 CYS CA C 13 57.17 0.01 . 1 . . . A 64 CYS CA . 19438 1 370 . 1 1 64 64 CYS CB C 13 41.21 0.01 . 1 . . . A 64 CYS CB . 19438 1 371 . 1 1 64 64 CYS N N 15 113.52 0.01 . 1 . . . A 64 CYS N . 19438 1 372 . 1 1 65 65 ASP H H 1 7.936 0.01 . 1 . . . A 65 ASP H . 19438 1 373 . 1 1 65 65 ASP HA H 1 5.190 0.01 . 1 . . . A 65 ASP HA . 19438 1 374 . 1 1 65 65 ASP C C 13 176.54 0.01 . 1 . . . A 65 ASP C . 19438 1 375 . 1 1 65 65 ASP CA C 13 54.31 0.01 . 1 . . . A 65 ASP CA . 19438 1 376 . 1 1 65 65 ASP CB C 13 41.15 0.01 . 1 . . . A 65 ASP CB . 19438 1 377 . 1 1 65 65 ASP N N 15 120.20 0.01 . 1 . . . A 65 ASP N . 19438 1 378 . 1 1 66 66 VAL H H 1 9.431 0.01 . 1 . . . A 66 VAL H . 19438 1 379 . 1 1 66 66 VAL HA H 1 4.267 0.01 . 1 . . . A 66 VAL HA . 19438 1 380 . 1 1 66 66 VAL C C 13 176.00 0.01 . 1 . . . A 66 VAL C . 19438 1 381 . 1 1 66 66 VAL CA C 13 63.19 0.01 . 1 . . . A 66 VAL CA . 19438 1 382 . 1 1 66 66 VAL CB C 13 32.43 0.01 . 1 . . . A 66 VAL CB . 19438 1 383 . 1 1 66 66 VAL N N 15 122.07 0.01 . 1 . . . A 66 VAL N . 19438 1 384 . 1 1 67 67 LEU H H 1 7.625 0.01 . 1 . . . A 67 LEU H . 19438 1 385 . 1 1 67 67 LEU HA H 1 4.639 0.01 . 1 . . . A 67 LEU HA . 19438 1 386 . 1 1 67 67 LEU C C 13 174.40 0.01 . 1 . . . A 67 LEU C . 19438 1 387 . 1 1 67 67 LEU CA C 13 55.10 0.01 . 1 . . . A 67 LEU CA . 19438 1 388 . 1 1 67 67 LEU CB C 13 46.02 0.01 . 1 . . . A 67 LEU CB . 19438 1 389 . 1 1 67 67 LEU N N 15 119.70 0.01 . 1 . . . A 67 LEU N . 19438 1 390 . 1 1 68 68 TYR H H 1 9.086 0.01 . 1 . . . A 68 TYR H . 19438 1 391 . 1 1 68 68 TYR HA H 1 5.850 0.01 . 1 . . . A 68 TYR HA . 19438 1 392 . 1 1 68 68 TYR C C 13 173.46 0.01 . 1 . . . A 68 TYR C . 19438 1 393 . 1 1 68 68 TYR CA C 13 54.66 0.01 . 1 . . . A 68 TYR CA . 19438 1 394 . 1 1 68 68 TYR CB C 13 38.14 0.01 . 1 . . . A 68 TYR CB . 19438 1 395 . 1 1 68 68 TYR N N 15 126.33 0.01 . 1 . . . A 68 TYR N . 19438 1 396 . 1 1 69 69 ARG H H 1 9.569 0.01 . 1 . . . A 69 ARG H . 19438 1 397 . 1 1 69 69 ARG HA H 1 4.860 0.01 . 1 . . . A 69 ARG HA . 19438 1 398 . 1 1 69 69 ARG C C 13 173.03 0.01 . 1 . . . A 69 ARG C . 19438 1 399 . 1 1 69 69 ARG CA C 13 54.43 0.01 . 1 . . . A 69 ARG CA . 19438 1 400 . 1 1 69 69 ARG CB C 13 35.03 0.01 . 1 . . . A 69 ARG CB . 19438 1 401 . 1 1 69 69 ARG N N 15 127.44 0.01 . 1 . . . A 69 ARG N . 19438 1 402 . 1 1 70 70 LYS H H 1 8.612 0.01 . 1 . . . A 70 LYS H . 19438 1 403 . 1 1 70 70 LYS HA H 1 5.005 0.01 . 1 . . . A 70 LYS HA . 19438 1 404 . 1 1 70 70 LYS C C 13 175.83 0.01 . 1 . . . A 70 LYS C . 19438 1 405 . 1 1 70 70 LYS CA C 13 54.69 0.01 . 1 . . . A 70 LYS CA . 19438 1 406 . 1 1 70 70 LYS CB C 13 36.04 0.01 . 1 . . . A 70 LYS CB . 19438 1 407 . 1 1 70 70 LYS N N 15 122.85 0.01 . 1 . . . A 70 LYS N . 19438 1 408 . 1 1 71 71 TYR H H 1 9.762 0.01 . 1 . . . A 71 TYR H . 19438 1 409 . 1 1 71 71 TYR HA H 1 5.302 0.01 . 1 . . . A 71 TYR HA . 19438 1 410 . 1 1 71 71 TYR C C 13 175.71 0.01 . 1 . . . A 71 TYR C . 19438 1 411 . 1 1 71 71 TYR CA C 13 56.96 0.01 . 1 . . . A 71 TYR CA . 19438 1 412 . 1 1 71 71 TYR CB C 13 40.33 0.01 . 1 . . . A 71 TYR CB . 19438 1 413 . 1 1 71 71 TYR N N 15 129.42 0.01 . 1 . . . A 71 TYR N . 19438 1 414 . 1 1 72 72 THR H H 1 8.845 0.01 . 1 . . . A 72 THR H . 19438 1 415 . 1 1 72 72 THR HA H 1 4.707 0.01 . 1 . . . A 72 THR HA . 19438 1 416 . 1 1 72 72 THR C C 13 173.86 0.01 . 1 . . . A 72 THR C . 19438 1 417 . 1 1 72 72 THR CA C 13 63.25 0.01 . 1 . . . A 72 THR CA . 19438 1 418 . 1 1 72 72 THR CB C 13 69.37 0.01 . 1 . . . A 72 THR CB . 19438 1 419 . 1 1 72 72 THR N N 15 119.82 0.01 . 1 . . . A 72 THR N . 19438 1 420 . 1 1 73 73 LEU H H 1 8.929 0.01 . 1 . . . A 73 LEU H . 19438 1 421 . 1 1 73 73 LEU HA H 1 5.129 0.01 . 1 . . . A 73 LEU HA . 19438 1 422 . 1 1 73 73 LEU C C 13 175.76 0.01 . 1 . . . A 73 LEU C . 19438 1 423 . 1 1 73 73 LEU CA C 13 54.08 0.01 . 1 . . . A 73 LEU CA . 19438 1 424 . 1 1 73 73 LEU CB C 13 45.35 0.01 . 1 . . . A 73 LEU CB . 19438 1 425 . 1 1 73 73 LEU N N 15 125.42 0.01 . 1 . . . A 73 LEU N . 19438 1 426 . 1 1 74 74 GLU H H 1 8.311 0.01 . 1 . . . A 74 GLU H . 19438 1 427 . 1 1 74 74 GLU HA H 1 5.214 0.01 . 1 . . . A 74 GLU HA . 19438 1 428 . 1 1 74 74 GLU C C 13 175.40 0.01 . 1 . . . A 74 GLU C . 19438 1 429 . 1 1 74 74 GLU CA C 13 55.74 0.01 . 1 . . . A 74 GLU CA . 19438 1 430 . 1 1 74 74 GLU CB C 13 33.04 0.01 . 1 . . . A 74 GLU CB . 19438 1 431 . 1 1 74 74 GLU N N 15 120.09 0.01 . 1 . . . A 74 GLU N . 19438 1 432 . 1 1 75 75 LYS H H 1 8.691 0.01 . 1 . . . A 75 LYS H . 19438 1 433 . 1 1 75 75 LYS HA H 1 4.473 0.01 . 1 . . . A 75 LYS HA . 19438 1 434 . 1 1 75 75 LYS C C 13 175.38 0.01 . 1 . . . A 75 LYS C . 19438 1 435 . 1 1 75 75 LYS CA C 13 57.06 0.01 . 1 . . . A 75 LYS CA . 19438 1 436 . 1 1 75 75 LYS CB C 13 35.74 0.01 . 1 . . . A 75 LYS CB . 19438 1 437 . 1 1 75 75 LYS N N 15 124.23 0.01 . 1 . . . A 75 LYS N . 19438 1 438 . 1 1 76 76 GLU H H 1 9.556 0.01 . 1 . . . A 76 GLU H . 19438 1 439 . 1 1 76 76 GLU HA H 1 3.903 0.01 . 1 . . . A 76 GLU HA . 19438 1 440 . 1 1 76 76 GLU C C 13 176.19 0.01 . 1 . . . A 76 GLU C . 19438 1 441 . 1 1 76 76 GLU CA C 13 57.45 0.01 . 1 . . . A 76 GLU CA . 19438 1 442 . 1 1 76 76 GLU CB C 13 27.83 0.01 . 1 . . . A 76 GLU CB . 19438 1 443 . 1 1 76 76 GLU N N 15 127.76 0.01 . 1 . . . A 76 GLU N . 19438 1 444 . 1 1 77 77 GLY H H 1 8.928 0.01 . 1 . . . A 77 GLY H . 19438 1 445 . 1 1 77 77 GLY HA2 H 1 3.681 0.01 . 2 . . . A 77 GLY HA2 . 19438 1 446 . 1 1 77 77 GLY HA3 H 1 4.232 0.01 . 2 . . . A 77 GLY HA3 . 19438 1 447 . 1 1 77 77 GLY C C 13 174.32 0.01 . 1 . . . A 77 GLY C . 19438 1 448 . 1 1 77 77 GLY CA C 13 45.64 0.01 . 1 . . . A 77 GLY CA . 19438 1 449 . 1 1 77 77 GLY N N 15 106.56 0.01 . 1 . . . A 77 GLY N . 19438 1 450 . 1 1 78 78 LYS H H 1 8.015 0.01 . 1 . . . A 78 LYS H . 19438 1 451 . 1 1 78 78 LYS HA H 1 4.585 0.01 . 1 . . . A 78 LYS HA . 19438 1 452 . 1 1 78 78 LYS C C 13 175.24 0.01 . 1 . . . A 78 LYS C . 19438 1 453 . 1 1 78 78 LYS CA C 13 55.38 0.01 . 1 . . . A 78 LYS CA . 19438 1 454 . 1 1 78 78 LYS CB C 13 33.49 0.01 . 1 . . . A 78 LYS CB . 19438 1 455 . 1 1 78 78 LYS N N 15 121.60 0.01 . 1 . . . A 78 LYS N . 19438 1 456 . 1 1 79 79 LYS H H 1 8.438 0.01 . 1 . . . A 79 LYS H . 19438 1 457 . 1 1 79 79 LYS HA H 1 5.199 0.01 . 1 . . . A 79 LYS HA . 19438 1 458 . 1 1 79 79 LYS C C 13 176.15 0.01 . 1 . . . A 79 LYS C . 19438 1 459 . 1 1 79 79 LYS CA C 13 55.07 0.01 . 1 . . . A 79 LYS CA . 19438 1 460 . 1 1 79 79 LYS CB C 13 35.08 0.01 . 1 . . . A 79 LYS CB . 19438 1 461 . 1 1 79 79 LYS N N 15 120.99 0.01 . 1 . . . A 79 LYS N . 19438 1 462 . 1 1 80 80 GLY H H 1 8.391 0.01 . 1 . . . A 80 GLY H . 19438 1 463 . 1 1 80 80 GLY HA2 H 1 3.883 0.01 . 2 . . . A 80 GLY HA2 . 19438 1 464 . 1 1 80 80 GLY HA3 H 1 4.236 0.01 . 2 . . . A 80 GLY HA3 . 19438 1 465 . 1 1 80 80 GLY C C 13 170.43 0.01 . 1 . . . A 80 GLY C . 19438 1 466 . 1 1 80 80 GLY CA C 13 45.26 0.01 . 1 . . . A 80 GLY CA . 19438 1 467 . 1 1 80 80 GLY N N 15 107.84 0.01 . 1 . . . A 80 GLY N . 19438 1 468 . 1 1 81 81 ILE H H 1 8.623 0.01 . 1 . . . A 81 ILE H . 19438 1 469 . 1 1 81 81 ILE HA H 1 5.282 0.01 . 1 . . . A 81 ILE HA . 19438 1 470 . 1 1 81 81 ILE C C 13 175.21 0.01 . 1 . . . A 81 ILE C . 19438 1 471 . 1 1 81 81 ILE CA C 13 58.64 0.01 . 1 . . . A 81 ILE CA . 19438 1 472 . 1 1 81 81 ILE CB C 13 42.42 0.01 . 1 . . . A 81 ILE CB . 19438 1 473 . 1 1 81 81 ILE N N 15 120.67 0.01 . 1 . . . A 81 ILE N . 19438 1 474 . 1 1 82 82 VAL H H 1 8.967 0.01 . 1 . . . A 82 VAL H . 19438 1 475 . 1 1 82 82 VAL HA H 1 4.714 0.01 . 1 . . . A 82 VAL HA . 19438 1 476 . 1 1 82 82 VAL C C 13 174.23 0.01 . 1 . . . A 82 VAL C . 19438 1 477 . 1 1 82 82 VAL CA C 13 61.01 0.01 . 1 . . . A 82 VAL CA . 19438 1 478 . 1 1 82 82 VAL CB C 13 35.26 0.01 . 1 . . . A 82 VAL CB . 19438 1 479 . 1 1 82 82 VAL N N 15 121.97 0.01 . 1 . . . A 82 VAL N . 19438 1 480 . 1 1 83 83 HIS H H 1 8.960 0.01 . 1 . . . A 83 HIS H . 19438 1 481 . 1 1 83 83 HIS HA H 1 5.219 0.01 . 1 . . . A 83 HIS HA . 19438 1 482 . 1 1 83 83 HIS C C 13 174.96 0.01 . 1 . . . A 83 HIS C . 19438 1 483 . 1 1 83 83 HIS CA C 13 55.44 0.01 . 1 . . . A 83 HIS CA . 19438 1 484 . 1 1 83 83 HIS CB C 13 32.24 0.01 . 1 . . . A 83 HIS CB . 19438 1 485 . 1 1 83 83 HIS N N 15 129.69 0.01 . 1 . . . A 83 HIS N . 19438 1 486 . 1 1 84 84 VAL H H 1 9.834 0.01 . 1 . . . A 84 VAL H . 19438 1 487 . 1 1 84 84 VAL HA H 1 5.126 0.01 . 1 . . . A 84 VAL HA . 19438 1 488 . 1 1 84 84 VAL C C 13 174.59 0.01 . 1 . . . A 84 VAL C . 19438 1 489 . 1 1 84 84 VAL CA C 13 62.23 0.01 . 1 . . . A 84 VAL CA . 19438 1 490 . 1 1 84 84 VAL CB C 13 34.02 0.01 . 1 . . . A 84 VAL CB . 19438 1 491 . 1 1 84 84 VAL N N 15 125.62 0.01 . 1 . . . A 84 VAL N . 19438 1 492 . 1 1 85 85 LYS H H 1 9.517 0.01 . 1 . . . A 85 LYS H . 19438 1 493 . 1 1 85 85 LYS HA H 1 5.464 0.01 . 1 . . . A 85 LYS HA . 19438 1 494 . 1 1 85 85 LYS C C 13 174.89 0.01 . 1 . . . A 85 LYS C . 19438 1 495 . 1 1 85 85 LYS CA C 13 54.21 0.01 . 1 . . . A 85 LYS CA . 19438 1 496 . 1 1 85 85 LYS CB C 13 36.43 0.01 . 1 . . . A 85 LYS CB . 19438 1 497 . 1 1 85 85 LYS N N 15 125.37 0.01 . 1 . . . A 85 LYS N . 19438 1 498 . 1 1 86 86 LEU H H 1 8.400 0.01 . 1 . . . A 86 LEU H . 19438 1 499 . 1 1 86 86 LEU HA H 1 5.147 0.01 . 1 . . . A 86 LEU HA . 19438 1 500 . 1 1 86 86 LEU C C 13 174.76 0.01 . 1 . . . A 86 LEU C . 19438 1 501 . 1 1 86 86 LEU CA C 13 54.21 0.01 . 1 . . . A 86 LEU CA . 19438 1 502 . 1 1 86 86 LEU CB C 13 44.83 0.01 . 1 . . . A 86 LEU CB . 19438 1 503 . 1 1 86 86 LEU N N 15 123.83 0.01 . 1 . . . A 86 LEU N . 19438 1 504 . 1 1 87 87 ARG H H 1 9.647 0.01 . 1 . . . A 87 ARG H . 19438 1 505 . 1 1 87 87 ARG HA H 1 5.473 0.01 . 1 . . . A 87 ARG HA . 19438 1 506 . 1 1 87 87 ARG C C 13 176.13 0.01 . 1 . . . A 87 ARG C . 19438 1 507 . 1 1 87 87 ARG CA C 13 54.97 0.01 . 1 . . . A 87 ARG CA . 19438 1 508 . 1 1 87 87 ARG CB C 13 34.23 0.01 . 1 . . . A 87 ARG CB . 19438 1 509 . 1 1 87 87 ARG N N 15 128.61 0.01 . 1 . . . A 87 ARG N . 19438 1 510 . 1 1 88 88 LYS H H 1 8.510 0.01 . 1 . . . A 88 LYS H . 19438 1 511 . 1 1 88 88 LYS HA H 1 4.138 0.01 . 1 . . . A 88 LYS HA . 19438 1 512 . 1 1 88 88 LYS C C 13 174.89 0.01 . 1 . . . A 88 LYS C . 19438 1 513 . 1 1 88 88 LYS CA C 13 56.33 0.01 . 1 . . . A 88 LYS CA . 19438 1 514 . 1 1 88 88 LYS CB C 13 34.31 0.01 . 1 . . . A 88 LYS CB . 19438 1 515 . 1 1 88 88 LYS N N 15 122.81 0.01 . 1 . . . A 88 LYS N . 19438 1 516 . 1 1 89 89 ILE H H 1 7.470 0.01 . 1 . . . A 89 ILE H . 19438 1 517 . 1 1 89 89 ILE HA H 1 4.631 0.01 . 1 . . . A 89 ILE HA . 19438 1 518 . 1 1 89 89 ILE C C 13 176.40 0.01 . 1 . . . A 89 ILE C . 19438 1 519 . 1 1 89 89 ILE CA C 13 60.67 0.01 . 1 . . . A 89 ILE CA . 19438 1 520 . 1 1 89 89 ILE CB C 13 36.72 0.01 . 1 . . . A 89 ILE CB . 19438 1 521 . 1 1 89 89 ILE N N 15 120.88 0.01 . 1 . . . A 89 ILE N . 19438 1 522 . 1 1 90 90 THR H H 1 7.701 0.01 . 1 . . . A 90 THR H . 19438 1 523 . 1 1 90 90 THR HA H 1 4.700 0.01 . 1 . . . A 90 THR HA . 19438 1 524 . 1 1 90 90 THR CA C 13 59.10 0.01 . 1 . . . A 90 THR CA . 19438 1 525 . 1 1 90 90 THR CB C 13 72.60 0.01 . 1 . . . A 90 THR CB . 19438 1 526 . 1 1 90 90 THR N N 15 116.61 0.01 . 1 . . . A 90 THR N . 19438 1 527 . 1 1 91 91 GLU HA H 1 4.030 0.01 . 1 . . . A 91 GLU HA . 19438 1 528 . 1 1 91 91 GLU C C 13 177.10 0.01 . 1 . . . A 91 GLU C . 19438 1 529 . 1 1 91 91 GLU CA C 13 59.64 0.01 . 1 . . . A 91 GLU CA . 19438 1 530 . 1 1 91 91 GLU CB C 13 29.05 0.01 . 1 . . . A 91 GLU CB . 19438 1 531 . 1 1 92 92 ASN H H 1 7.915 0.01 . 1 . . . A 92 ASN H . 19438 1 532 . 1 1 92 92 ASN HA H 1 4.700 0.01 . 1 . . . A 92 ASN HA . 19438 1 533 . 1 1 92 92 ASN C C 13 174.10 0.01 . 1 . . . A 92 ASN C . 19438 1 534 . 1 1 92 92 ASN CA C 13 53.49 0.01 . 1 . . . A 92 ASN CA . 19438 1 535 . 1 1 92 92 ASN CB C 13 39.27 0.01 . 1 . . . A 92 ASN CB . 19438 1 536 . 1 1 92 92 ASN N N 15 113.65 0.01 . 1 . . . A 92 ASN N . 19438 1 537 . 1 1 93 93 CYS H H 1 7.514 0.01 . 1 . . . A 93 CYS H . 19438 1 538 . 1 1 93 93 CYS HA H 1 5.076 0.01 . 1 . . . A 93 CYS HA . 19438 1 539 . 1 1 93 93 CYS CA C 13 52.61 0.01 . 1 . . . A 93 CYS CA . 19438 1 540 . 1 1 93 93 CYS CB C 13 42.09 0.01 . 1 . . . A 93 CYS CB . 19438 1 541 . 1 1 93 93 CYS N N 15 120.19 0.01 . 1 . . . A 93 CYS N . 19438 1 542 . 1 1 94 94 PRO HA H 1 4.790 0.01 . 1 . . . A 94 PRO HA . 19438 1 543 . 1 1 95 95 PRO HA H 1 4.500 0.01 . 1 . . . A 95 PRO HA . 19438 1 544 . 1 1 95 95 PRO C C 13 177.77 0.01 . 1 . . . A 95 PRO C . 19438 1 545 . 1 1 95 95 PRO CA C 13 62.74 0.01 . 1 . . . A 95 PRO CA . 19438 1 546 . 1 1 95 95 PRO CB C 13 32.10 0.01 . 1 . . . A 95 PRO CB . 19438 1 547 . 1 1 96 96 VAL H H 1 9.071 0.01 . 1 . . . A 96 VAL H . 19438 1 548 . 1 1 96 96 VAL HA H 1 3.947 0.01 . 1 . . . A 96 VAL HA . 19438 1 549 . 1 1 96 96 VAL C C 13 175.78 0.01 . 1 . . . A 96 VAL C . 19438 1 550 . 1 1 96 96 VAL CA C 13 62.10 0.01 . 1 . . . A 96 VAL CA . 19438 1 551 . 1 1 96 96 VAL CB C 13 32.58 0.01 . 1 . . . A 96 VAL CB . 19438 1 552 . 1 1 96 96 VAL N N 15 123.60 0.01 . 1 . . . A 96 VAL N . 19438 1 553 . 1 1 97 97 ASP H H 1 8.313 0.01 . 1 . . . A 97 ASP H . 19438 1 554 . 1 1 97 97 ASP HA H 1 4.670 0.01 . 1 . . . A 97 ASP HA . 19438 1 555 . 1 1 97 97 ASP C C 13 175.41 0.01 . 1 . . . A 97 ASP C . 19438 1 556 . 1 1 97 97 ASP CA C 13 54.01 0.01 . 1 . . . A 97 ASP CA . 19438 1 557 . 1 1 97 97 ASP CB C 13 41.58 0.01 . 1 . . . A 97 ASP CB . 19438 1 558 . 1 1 97 97 ASP N N 15 125.40 0.01 . 1 . . . A 97 ASP N . 19438 1 559 . 1 1 98 98 GLY H H 1 7.838 0.01 . 1 . . . A 98 GLY H . 19438 1 560 . 1 1 98 98 GLY HA2 H 1 3.783 0.01 . 2 . . . A 98 GLY HA2 . 19438 1 561 . 1 1 98 98 GLY HA3 H 1 4.042 0.01 . 2 . . . A 98 GLY HA3 . 19438 1 562 . 1 1 98 98 GLY C C 13 173.14 0.01 . 1 . . . A 98 GLY C . 19438 1 563 . 1 1 98 98 GLY CA C 13 45.27 0.01 . 1 . . . A 98 GLY CA . 19438 1 564 . 1 1 98 98 GLY N N 15 108.31 0.01 . 1 . . . A 98 GLY N . 19438 1 565 . 1 1 99 99 ASN H H 1 8.685 0.01 . 1 . . . A 99 ASN H . 19438 1 566 . 1 1 99 99 ASN HA H 1 5.182 0.01 . 1 . . . A 99 ASN HA . 19438 1 567 . 1 1 99 99 ASN C C 13 174.70 0.01 . 1 . . . A 99 ASN C . 19438 1 568 . 1 1 99 99 ASN CA C 13 53.12 0.01 . 1 . . . A 99 ASN CA . 19438 1 569 . 1 1 99 99 ASN CB C 13 39.36 0.01 . 1 . . . A 99 ASN CB . 19438 1 570 . 1 1 99 99 ASN N N 15 120.05 0.01 . 1 . . . A 99 ASN N . 19438 1 571 . 1 1 100 100 ARG H H 1 8.502 0.01 . 1 . . . A 100 ARG H . 19438 1 572 . 1 1 100 100 ARG HA H 1 4.909 0.01 . 1 . . . A 100 ARG HA . 19438 1 573 . 1 1 100 100 ARG C C 13 176.93 0.01 . 1 . . . A 100 ARG C . 19438 1 574 . 1 1 100 100 ARG CA C 13 55.81 0.01 . 1 . . . A 100 ARG CA . 19438 1 575 . 1 1 100 100 ARG CB C 13 31.71 0.01 . 1 . . . A 100 ARG CB . 19438 1 576 . 1 1 100 100 ARG N N 15 121.10 0.01 . 1 . . . A 100 ARG N . 19438 1 577 . 1 1 101 101 CYS H H 1 8.607 0.01 . 1 . . . A 101 CYS H . 19438 1 578 . 1 1 101 101 CYS HA H 1 4.706 0.01 . 1 . . . A 101 CYS HA . 19438 1 579 . 1 1 101 101 CYS CA C 13 55.27 0.01 . 1 . . . A 101 CYS CA . 19438 1 580 . 1 1 101 101 CYS N N 15 121.18 0.01 . 1 . . . A 101 CYS N . 19438 1 581 . 1 1 102 102 SER HA H 1 4.565 0.01 . 1 . . . A 102 SER HA . 19438 1 582 . 1 1 102 102 SER C C 13 174.22 0.01 . 1 . . . A 102 SER C . 19438 1 583 . 1 1 102 102 SER CA C 13 57.90 0.01 . 1 . . . A 102 SER CA . 19438 1 584 . 1 1 102 102 SER CB C 13 63.70 0.01 . 1 . . . A 102 SER CB . 19438 1 585 . 1 1 103 103 VAL H H 1 8.332 0.01 . 1 . . . A 103 VAL H . 19438 1 586 . 1 1 103 103 VAL HA H 1 4.222 0.01 . 1 . . . A 103 VAL HA . 19438 1 587 . 1 1 103 103 VAL C C 13 175.07 0.01 . 1 . . . A 103 VAL C . 19438 1 588 . 1 1 103 103 VAL CA C 13 62.44 0.01 . 1 . . . A 103 VAL CA . 19438 1 589 . 1 1 103 103 VAL N N 15 122.91 0.01 . 1 . . . A 103 VAL N . 19438 1 590 . 1 1 104 104 LEU H H 1 8.831 0.01 . 1 . . . A 104 LEU H . 19438 1 591 . 1 1 104 104 LEU HA H 1 4.413 0.01 . 1 . . . A 104 LEU HA . 19438 1 592 . 1 1 104 104 LEU C C 13 177.22 0.01 . 1 . . . A 104 LEU C . 19438 1 593 . 1 1 104 104 LEU CA C 13 55.93 0.01 . 1 . . . A 104 LEU CA . 19438 1 594 . 1 1 104 104 LEU CB C 13 42.89 0.01 . 1 . . . A 104 LEU CB . 19438 1 595 . 1 1 104 104 LEU N N 15 125.94 0.01 . 1 . . . A 104 LEU N . 19438 1 596 . 1 1 105 105 GLU H H 1 8.070 0.01 . 1 . . . A 105 GLU H . 19438 1 597 . 1 1 105 105 GLU HA H 1 4.411 0.01 . 1 . . . A 105 GLU HA . 19438 1 598 . 1 1 105 105 GLU C C 13 175.40 0.01 . 1 . . . A 105 GLU C . 19438 1 599 . 1 1 105 105 GLU CA C 13 55.89 0.01 . 1 . . . A 105 GLU CA . 19438 1 600 . 1 1 105 105 GLU CB C 13 30.46 0.01 . 1 . . . A 105 GLU CB . 19438 1 601 . 1 1 105 105 GLU N N 15 120.54 0.01 . 1 . . . A 105 GLU N . 19438 1 602 . 1 1 106 106 PHE H H 1 8.666 0.01 . 1 . . . A 106 PHE H . 19438 1 603 . 1 1 106 106 PHE HA H 1 4.061 0.01 . 1 . . . A 106 PHE HA . 19438 1 604 . 1 1 106 106 PHE C C 13 175.88 0.01 . 1 . . . A 106 PHE C . 19438 1 605 . 1 1 106 106 PHE CA C 13 62.12 0.01 . 1 . . . A 106 PHE CA . 19438 1 606 . 1 1 106 106 PHE CB C 13 39.67 0.01 . 1 . . . A 106 PHE CB . 19438 1 607 . 1 1 106 106 PHE N N 15 124.06 0.01 . 1 . . . A 106 PHE N . 19438 1 608 . 1 1 107 107 GLU H H 1 8.932 0.01 . 1 . . . A 107 GLU H . 19438 1 609 . 1 1 107 107 GLU HA H 1 3.886 0.01 . 1 . . . A 107 GLU HA . 19438 1 610 . 1 1 107 107 GLU C C 13 178.05 0.01 . 1 . . . A 107 GLU C . 19438 1 611 . 1 1 107 107 GLU CA C 13 59.36 0.01 . 1 . . . A 107 GLU CA . 19438 1 612 . 1 1 107 107 GLU CB C 13 29.33 0.01 . 1 . . . A 107 GLU CB . 19438 1 613 . 1 1 107 107 GLU N N 15 117.29 0.01 . 1 . . . A 107 GLU N . 19438 1 614 . 1 1 108 108 ARG H H 1 7.533 0.01 . 1 . . . A 108 ARG H . 19438 1 615 . 1 1 108 108 ARG HA H 1 4.308 0.01 . 1 . . . A 108 ARG HA . 19438 1 616 . 1 1 108 108 ARG C C 13 177.93 0.01 . 1 . . . A 108 ARG C . 19438 1 617 . 1 1 108 108 ARG CA C 13 57.12 0.01 . 1 . . . A 108 ARG CA . 19438 1 618 . 1 1 108 108 ARG CB C 13 31.11 0.01 . 1 . . . A 108 ARG CB . 19438 1 619 . 1 1 108 108 ARG N N 15 117.24 0.01 . 1 . . . A 108 ARG N . 19438 1 620 . 1 1 109 109 ASP H H 1 8.295 0.01 . 1 . . . A 109 ASP H . 19438 1 621 . 1 1 109 109 ASP HA H 1 4.600 0.01 . 1 . . . A 109 ASP HA . 19438 1 622 . 1 1 109 109 ASP C C 13 177.98 0.01 . 1 . . . A 109 ASP C . 19438 1 623 . 1 1 109 109 ASP CA C 13 56.81 0.01 . 1 . . . A 109 ASP CA . 19438 1 624 . 1 1 109 109 ASP CB C 13 41.50 0.01 . 1 . . . A 109 ASP CB . 19438 1 625 . 1 1 109 109 ASP N N 15 120.04 0.01 . 1 . . . A 109 ASP N . 19438 1 626 . 1 1 110 110 ILE H H 1 8.081 0.01 . 1 . . . A 110 ILE H . 19438 1 627 . 1 1 110 110 ILE HA H 1 3.794 0.01 . 1 . . . A 110 ILE HA . 19438 1 628 . 1 1 110 110 ILE C C 13 176.74 0.01 . 1 . . . A 110 ILE C . 19438 1 629 . 1 1 110 110 ILE CA C 13 61.85 0.01 . 1 . . . A 110 ILE CA . 19438 1 630 . 1 1 110 110 ILE CB C 13 37.03 0.01 . 1 . . . A 110 ILE CB . 19438 1 631 . 1 1 110 110 ILE N N 15 118.71 0.01 . 1 . . . A 110 ILE N . 19438 1 632 . 1 1 111 111 GLU H H 1 7.558 0.01 . 1 . . . A 111 GLU H . 19438 1 633 . 1 1 111 111 GLU HA H 1 3.962 0.01 . 1 . . . A 111 GLU HA . 19438 1 634 . 1 1 111 111 GLU C C 13 177.40 0.01 . 1 . . . A 111 GLU C . 19438 1 635 . 1 1 111 111 GLU CA C 13 59.60 0.01 . 1 . . . A 111 GLU CA . 19438 1 636 . 1 1 111 111 GLU CB C 13 29.30 0.01 . 1 . . . A 111 GLU CB . 19438 1 637 . 1 1 111 111 GLU N N 15 121.14 0.01 . 1 . . . A 111 GLU N . 19438 1 638 . 1 1 112 112 CYS H H 1 7.739 0.01 . 1 . . . A 112 CYS H . 19438 1 639 . 1 1 112 112 CYS HA H 1 4.103 0.01 . 1 . . . A 112 CYS HA . 19438 1 640 . 1 1 112 112 CYS C C 13 176.57 0.01 . 1 . . . A 112 CYS C . 19438 1 641 . 1 1 112 112 CYS CA C 13 59.29 0.01 . 1 . . . A 112 CYS CA . 19438 1 642 . 1 1 112 112 CYS CB C 13 41.91 0.01 . 1 . . . A 112 CYS CB . 19438 1 643 . 1 1 112 112 CYS N N 15 117.38 0.01 . 1 . . . A 112 CYS N . 19438 1 644 . 1 1 113 113 ILE H H 1 7.682 0.01 . 1 . . . A 113 ILE H . 19438 1 645 . 1 1 113 113 ILE HA H 1 3.833 0.01 . 1 . . . A 113 ILE HA . 19438 1 646 . 1 1 113 113 ILE C C 13 177.22 0.01 . 1 . . . A 113 ILE C . 19438 1 647 . 1 1 113 113 ILE CA C 13 63.41 0.01 . 1 . . . A 113 ILE CA . 19438 1 648 . 1 1 113 113 ILE CB C 13 37.43 0.01 . 1 . . . A 113 ILE CB . 19438 1 649 . 1 1 113 113 ILE N N 15 118.52 0.01 . 1 . . . A 113 ILE N . 19438 1 650 . 1 1 114 114 VAL H H 1 7.765 0.01 . 1 . . . A 114 VAL H . 19438 1 651 . 1 1 114 114 VAL HA H 1 3.468 0.01 . 1 . . . A 114 VAL HA . 19438 1 652 . 1 1 114 114 VAL C C 13 177.97 0.01 . 1 . . . A 114 VAL C . 19438 1 653 . 1 1 114 114 VAL CA C 13 67.96 0.01 . 1 . . . A 114 VAL CA . 19438 1 654 . 1 1 114 114 VAL CB C 13 31.73 0.01 . 1 . . . A 114 VAL CB . 19438 1 655 . 1 1 114 114 VAL N N 15 120.39 0.01 . 1 . . . A 114 VAL N . 19438 1 656 . 1 1 115 115 LYS H H 1 8.314 0.01 . 1 . . . A 115 LYS H . 19438 1 657 . 1 1 115 115 LYS HA H 1 4.129 0.01 . 1 . . . A 115 LYS HA . 19438 1 658 . 1 1 115 115 LYS C C 13 178.87 0.01 . 1 . . . A 115 LYS C . 19438 1 659 . 1 1 115 115 LYS CA C 13 59.30 0.01 . 1 . . . A 115 LYS CA . 19438 1 660 . 1 1 115 115 LYS CB C 13 31.91 0.01 . 1 . . . A 115 LYS CB . 19438 1 661 . 1 1 115 115 LYS N N 15 118.84 0.01 . 1 . . . A 115 LYS N . 19438 1 662 . 1 1 116 116 ALA H H 1 7.427 0.01 . 1 . . . A 116 ALA H . 19438 1 663 . 1 1 116 116 ALA HA H 1 4.226 0.01 . 1 . . . A 116 ALA HA . 19438 1 664 . 1 1 116 116 ALA C C 13 181.60 0.01 . 1 . . . A 116 ALA C . 19438 1 665 . 1 1 116 116 ALA CA C 13 55.32 0.01 . 1 . . . A 116 ALA CA . 19438 1 666 . 1 1 116 116 ALA CB C 13 18.65 0.01 . 1 . . . A 116 ALA CB . 19438 1 667 . 1 1 116 116 ALA N N 15 121.00 0.01 . 1 . . . A 116 ALA N . 19438 1 668 . 1 1 117 117 ILE H H 1 8.121 0.01 . 1 . . . A 117 ILE H . 19438 1 669 . 1 1 117 117 ILE HA H 1 3.313 0.01 . 1 . . . A 117 ILE HA . 19438 1 670 . 1 1 117 117 ILE C C 13 177.63 0.01 . 1 . . . A 117 ILE C . 19438 1 671 . 1 1 117 117 ILE CA C 13 66.51 0.01 . 1 . . . A 117 ILE CA . 19438 1 672 . 1 1 117 117 ILE CB C 13 37.86 0.01 . 1 . . . A 117 ILE CB . 19438 1 673 . 1 1 117 117 ILE N N 15 120.09 0.01 . 1 . . . A 117 ILE N . 19438 1 674 . 1 1 118 118 GLU H H 1 8.657 0.01 . 1 . . . A 118 GLU H . 19438 1 675 . 1 1 118 118 GLU HA H 1 3.886 0.01 . 1 . . . A 118 GLU HA . 19438 1 676 . 1 1 118 118 GLU C C 13 179.85 0.01 . 1 . . . A 118 GLU C . 19438 1 677 . 1 1 118 118 GLU CA C 13 60.76 0.01 . 1 . . . A 118 GLU CA . 19438 1 678 . 1 1 118 118 GLU CB C 13 29.65 0.01 . 1 . . . A 118 GLU CB . 19438 1 679 . 1 1 118 118 GLU N N 15 119.30 0.01 . 1 . . . A 118 GLU N . 19438 1 680 . 1 1 119 119 GLU H H 1 8.596 0.01 . 1 . . . A 119 GLU H . 19438 1 681 . 1 1 119 119 GLU HA H 1 4.068 0.01 . 1 . . . A 119 GLU HA . 19438 1 682 . 1 1 119 119 GLU C C 13 178.67 0.01 . 1 . . . A 119 GLU C . 19438 1 683 . 1 1 119 119 GLU CA C 13 59.39 0.01 . 1 . . . A 119 GLU CA . 19438 1 684 . 1 1 119 119 GLU CB C 13 29.72 0.01 . 1 . . . A 119 GLU CB . 19438 1 685 . 1 1 119 119 GLU N N 15 119.08 0.01 . 1 . . . A 119 GLU N . 19438 1 686 . 1 1 120 120 CYS H H 1 7.686 0.01 . 1 . . . A 120 CYS H . 19438 1 687 . 1 1 120 120 CYS HA H 1 4.442 0.01 . 1 . . . A 120 CYS HA . 19438 1 688 . 1 1 120 120 CYS C C 13 177.28 0.01 . 1 . . . A 120 CYS C . 19438 1 689 . 1 1 120 120 CYS CA C 13 58.48 0.01 . 1 . . . A 120 CYS CA . 19438 1 690 . 1 1 120 120 CYS CB C 13 39.42 0.01 . 1 . . . A 120 CYS CB . 19438 1 691 . 1 1 120 120 CYS N N 15 117.95 0.01 . 1 . . . A 120 CYS N . 19438 1 692 . 1 1 121 121 LEU H H 1 8.194 0.01 . 1 . . . A 121 LEU H . 19438 1 693 . 1 1 121 121 LEU HA H 1 4.021 0.01 . 1 . . . A 121 LEU HA . 19438 1 694 . 1 1 121 121 LEU C C 13 179.01 0.01 . 1 . . . A 121 LEU C . 19438 1 695 . 1 1 121 121 LEU CA C 13 57.67 0.01 . 1 . . . A 121 LEU CA . 19438 1 696 . 1 1 121 121 LEU CB C 13 41.38 0.01 . 1 . . . A 121 LEU CB . 19438 1 697 . 1 1 121 121 LEU N N 15 118.00 0.01 . 1 . . . A 121 LEU N . 19438 1 698 . 1 1 122 122 ALA H H 1 7.974 0.01 . 1 . . . A 122 ALA H . 19438 1 699 . 1 1 122 122 ALA HA H 1 4.226 0.01 . 1 . . . A 122 ALA HA . 19438 1 700 . 1 1 122 122 ALA C C 13 179.04 0.01 . 1 . . . A 122 ALA C . 19438 1 701 . 1 1 122 122 ALA CA C 13 54.16 0.01 . 1 . . . A 122 ALA CA . 19438 1 702 . 1 1 122 122 ALA CB C 13 18.88 0.01 . 1 . . . A 122 ALA CB . 19438 1 703 . 1 1 122 122 ALA N N 15 119.94 0.01 . 1 . . . A 122 ALA N . 19438 1 704 . 1 1 123 123 LYS H H 1 7.774 0.01 . 1 . . . A 123 LYS H . 19438 1 705 . 1 1 123 123 LYS HA H 1 4.191 0.01 . 1 . . . A 123 LYS HA . 19438 1 706 . 1 1 123 123 LYS C C 13 177.77 0.01 . 1 . . . A 123 LYS C . 19438 1 707 . 1 1 123 123 LYS CA C 13 57.71 0.01 . 1 . . . A 123 LYS CA . 19438 1 708 . 1 1 123 123 LYS CB C 13 32.57 0.01 . 1 . . . A 123 LYS CB . 19438 1 709 . 1 1 123 123 LYS N N 15 117.94 0.01 . 1 . . . A 123 LYS N . 19438 1 710 . 1 1 124 124 GLY H H 1 8.084 0.01 . 1 . . . A 124 GLY H . 19438 1 711 . 1 1 124 124 GLY HA2 H 1 3.975 0.01 . 2 . . . A 124 GLY HA2 . 19438 1 712 . 1 1 124 124 GLY HA3 H 1 3.975 0.01 . 2 . . . A 124 GLY HA3 . 19438 1 713 . 1 1 124 124 GLY C C 13 174.29 0.01 . 1 . . . A 124 GLY C . 19438 1 714 . 1 1 124 124 GLY CA C 13 46.06 0.01 . 1 . . . A 124 GLY CA . 19438 1 715 . 1 1 124 124 GLY N N 15 107.51 0.01 . 1 . . . A 124 GLY N . 19438 1 716 . 1 1 125 125 GLU H H 1 7.997 0.01 . 1 . . . A 125 GLU H . 19438 1 717 . 1 1 125 125 GLU HA H 1 4.318 0.01 . 1 . . . A 125 GLU HA . 19438 1 718 . 1 1 125 125 GLU C C 13 176.94 0.01 . 1 . . . A 125 GLU C . 19438 1 719 . 1 1 125 125 GLU CA C 13 56.78 0.01 . 1 . . . A 125 GLU CA . 19438 1 720 . 1 1 125 125 GLU CB C 13 30.76 0.01 . 1 . . . A 125 GLU CB . 19438 1 721 . 1 1 125 125 GLU N N 15 120.17 0.01 . 1 . . . A 125 GLU N . 19438 1 722 . 1 1 126 126 LEU H H 1 8.218 0.01 . 1 . . . A 126 LEU H . 19438 1 723 . 1 1 126 126 LEU HA H 1 4.310 0.01 . 1 . . . A 126 LEU HA . 19438 1 724 . 1 1 126 126 LEU C C 13 177.32 0.01 . 1 . . . A 126 LEU C . 19438 1 725 . 1 1 126 126 LEU CA C 13 55.94 0.01 . 1 . . . A 126 LEU CA . 19438 1 726 . 1 1 126 126 LEU CB C 13 42.54 0.01 . 1 . . . A 126 LEU CB . 19438 1 727 . 1 1 126 126 LEU N N 15 122.21 0.01 . 1 . . . A 126 LEU N . 19438 1 728 . 1 1 127 127 ASN H H 1 8.445 0.01 . 1 . . . A 127 ASN H . 19438 1 729 . 1 1 127 127 ASN HA H 1 4.694 0.01 . 1 . . . A 127 ASN HA . 19438 1 730 . 1 1 127 127 ASN C C 13 175.72 0.01 . 1 . . . A 127 ASN C . 19438 1 731 . 1 1 127 127 ASN CA C 13 53.93 0.01 . 1 . . . A 127 ASN CA . 19438 1 732 . 1 1 127 127 ASN CB C 13 38.97 0.01 . 1 . . . A 127 ASN CB . 19438 1 733 . 1 1 127 127 ASN N N 15 119.25 0.01 . 1 . . . A 127 ASN N . 19438 1 734 . 1 1 128 128 SER H H 1 8.182 0.01 . 1 . . . A 128 SER H . 19438 1 735 . 1 1 128 128 SER HA H 1 4.373 0.01 . 1 . . . A 128 SER HA . 19438 1 736 . 1 1 128 128 SER C C 13 174.83 0.01 . 1 . . . A 128 SER C . 19438 1 737 . 1 1 128 128 SER CA C 13 59.12 0.01 . 1 . . . A 128 SER CA . 19438 1 738 . 1 1 128 128 SER CB C 13 63.83 0.01 . 1 . . . A 128 SER CB . 19438 1 739 . 1 1 128 128 SER N N 15 116.06 0.01 . 1 . . . A 128 SER N . 19438 1 740 . 1 1 129 129 LYS H H 1 8.154 0.01 . 1 . . . A 129 LYS H . 19438 1 741 . 1 1 129 129 LYS HA H 1 4.358 0.01 . 1 . . . A 129 LYS HA . 19438 1 742 . 1 1 129 129 LYS C C 13 176.75 0.01 . 1 . . . A 129 LYS C . 19438 1 743 . 1 1 129 129 LYS CA C 13 56.71 0.01 . 1 . . . A 129 LYS CA . 19438 1 744 . 1 1 129 129 LYS CB C 13 32.76 0.01 . 1 . . . A 129 LYS CB . 19438 1 745 . 1 1 129 129 LYS N N 15 122.52 0.01 . 1 . . . A 129 LYS N . 19438 1 746 . 1 1 130 130 LEU H H 1 8.070 0.01 . 1 . . . A 130 LEU H . 19438 1 747 . 1 1 130 130 LEU HA H 1 4.328 0.01 . 1 . . . A 130 LEU HA . 19438 1 748 . 1 1 130 130 LEU C C 13 177.43 0.01 . 1 . . . A 130 LEU C . 19438 1 749 . 1 1 130 130 LEU CA C 13 57.43 0.01 . 1 . . . A 130 LEU CA . 19438 1 750 . 1 1 130 130 LEU CB C 13 42.38 0.01 . 1 . . . A 130 LEU CB . 19438 1 751 . 1 1 130 130 LEU N N 15 122.34 0.01 . 1 . . . A 130 LEU N . 19438 1 752 . 1 1 131 131 GLU H H 1 8.250 0.01 . 1 . . . A 131 GLU H . 19438 1 753 . 1 1 131 131 GLU HA H 1 4.295 0.01 . 1 . . . A 131 GLU HA . 19438 1 754 . 1 1 131 131 GLU C C 13 176.92 0.01 . 1 . . . A 131 GLU C . 19438 1 755 . 1 1 131 131 GLU CA C 13 56.69 0.01 . 1 . . . A 131 GLU CA . 19438 1 756 . 1 1 131 131 GLU CB C 13 30.38 0.01 . 1 . . . A 131 GLU CB . 19438 1 757 . 1 1 131 131 GLU N N 15 121.45 0.01 . 1 . . . A 131 GLU N . 19438 1 758 . 1 1 132 132 GLY H H 1 8.334 0.01 . 1 . . . A 132 GLY H . 19438 1 759 . 1 1 132 132 GLY HA2 H 1 3.945 0.01 . 2 . . . A 132 GLY HA2 . 19438 1 760 . 1 1 132 132 GLY HA3 H 1 3.945 0.01 . 2 . . . A 132 GLY HA3 . 19438 1 761 . 1 1 132 132 GLY C C 13 173.77 0.01 . 1 . . . A 132 GLY C . 19438 1 762 . 1 1 132 132 GLY CA C 13 45.29 0.01 . 1 . . . A 132 GLY CA . 19438 1 763 . 1 1 132 132 GLY N N 15 109.90 0.01 . 1 . . . A 132 GLY N . 19438 1 764 . 1 1 133 133 LYS H H 1 8.037 0.01 . 1 . . . A 133 LYS H . 19438 1 765 . 1 1 133 133 LYS HA H 1 4.664 0.01 . 1 . . . A 133 LYS HA . 19438 1 766 . 1 1 133 133 LYS CA C 13 54.15 0.01 . 1 . . . A 133 LYS CA . 19438 1 767 . 1 1 133 133 LYS CB C 13 32.71 0.01 . 1 . . . A 133 LYS CB . 19438 1 768 . 1 1 133 133 LYS N N 15 121.92 0.01 . 1 . . . A 133 LYS N . 19438 1 769 . 1 1 134 134 PRO HA H 1 4.451 0.01 . 1 . . . A 134 PRO HA . 19438 1 770 . 1 1 134 134 PRO C C 13 176.67 0.01 . 1 . . . A 134 PRO C . 19438 1 771 . 1 1 134 134 PRO CA C 13 62.94 0.01 . 1 . . . A 134 PRO CA . 19438 1 772 . 1 1 134 134 PRO CB C 13 31.89 0.01 . 1 . . . A 134 PRO CB . 19438 1 773 . 1 1 135 135 ILE H H 1 8.227 0.01 . 1 . . . A 135 ILE H . 19438 1 774 . 1 1 135 135 ILE HA H 1 4.428 0.01 . 1 . . . A 135 ILE HA . 19438 1 775 . 1 1 135 135 ILE CA C 13 58.77 0.01 . 1 . . . A 135 ILE CA . 19438 1 776 . 1 1 135 135 ILE CB C 13 38.64 0.01 . 1 . . . A 135 ILE CB . 19438 1 777 . 1 1 135 135 ILE N N 15 122.71 0.01 . 1 . . . A 135 ILE N . 19438 1 778 . 1 1 136 136 PRO HA H 1 4.372 0.01 . 1 . . . A 136 PRO HA . 19438 1 779 . 1 1 136 136 PRO C C 13 176.33 0.01 . 1 . . . A 136 PRO C . 19438 1 780 . 1 1 136 136 PRO CA C 13 63.25 0.01 . 1 . . . A 136 PRO CA . 19438 1 781 . 1 1 136 136 PRO CB C 13 32.01 0.01 . 1 . . . A 136 PRO CB . 19438 1 782 . 1 1 137 137 ASN H H 1 8.383 0.01 . 1 . . . A 137 ASN H . 19438 1 783 . 1 1 137 137 ASN HA H 1 4.941 0.01 . 1 . . . A 137 ASN HA . 19438 1 784 . 1 1 137 137 ASN CA C 13 51.27 0.01 . 1 . . . A 137 ASN CA . 19438 1 785 . 1 1 137 137 ASN CB C 13 38.67 0.01 . 1 . . . A 137 ASN CB . 19438 1 786 . 1 1 138 138 PRO HA H 1 4.404 0.01 . 1 . . . A 138 PRO HA . 19438 1 787 . 1 1 138 138 PRO C C 13 177.21 0.01 . 1 . . . A 138 PRO C . 19438 1 788 . 1 1 138 138 PRO CA C 13 63.31 0.01 . 1 . . . A 138 PRO CA . 19438 1 789 . 1 1 138 138 PRO CB C 13 32.10 0.01 . 1 . . . A 138 PRO CB . 19438 1 790 . 1 1 139 139 LEU H H 1 8.096 0.01 . 1 . . . A 139 LEU H . 19438 1 791 . 1 1 139 139 LEU HA H 1 4.301 0.01 . 1 . . . A 139 LEU HA . 19438 1 792 . 1 1 139 139 LEU C C 13 177.64 0.01 . 1 . . . A 139 LEU C . 19438 1 793 . 1 1 139 139 LEU CA C 13 55.61 0.01 . 1 . . . A 139 LEU CA . 19438 1 794 . 1 1 139 139 LEU CB C 13 41.54 0.01 . 1 . . . A 139 LEU CB . 19438 1 795 . 1 1 139 139 LEU N N 15 119.86 0.01 . 1 . . . A 139 LEU N . 19438 1 796 . 1 1 140 140 LEU H H 1 7.749 0.01 . 1 . . . A 140 LEU H . 19438 1 797 . 1 1 140 140 LEU HA H 1 4.315 0.01 . 1 . . . A 140 LEU HA . 19438 1 798 . 1 1 140 140 LEU C C 13 177.84 0.01 . 1 . . . A 140 LEU C . 19438 1 799 . 1 1 140 140 LEU CA C 13 55.37 0.01 . 1 . . . A 140 LEU CA . 19438 1 800 . 1 1 140 140 LEU CB C 13 42.39 0.01 . 1 . . . A 140 LEU CB . 19438 1 801 . 1 1 140 140 LEU N N 15 121.04 0.01 . 1 . . . A 140 LEU N . 19438 1 802 . 1 1 141 141 GLY H H 1 8.231 0.01 . 1 . . . A 141 GLY H . 19438 1 803 . 1 1 141 141 GLY HA2 H 1 3.943 0.01 . 2 . . . A 141 GLY HA2 . 19438 1 804 . 1 1 141 141 GLY HA3 H 1 3.943 0.01 . 2 . . . A 141 GLY HA3 . 19438 1 805 . 1 1 141 141 GLY C C 13 174.38 0.01 . 1 . . . A 141 GLY C . 19438 1 806 . 1 1 141 141 GLY CA C 13 45.65 0.01 . 1 . . . A 141 GLY CA . 19438 1 807 . 1 1 141 141 GLY N N 15 108.96 0.01 . 1 . . . A 141 GLY N . 19438 1 808 . 1 1 142 142 LEU H H 1 8.004 0.01 . 1 . . . A 142 LEU H . 19438 1 809 . 1 1 142 142 LEU HA H 1 4.336 0.01 . 1 . . . A 142 LEU HA . 19438 1 810 . 1 1 142 142 LEU C C 13 177.39 0.01 . 1 . . . A 142 LEU C . 19438 1 811 . 1 1 142 142 LEU CA C 13 55.63 0.01 . 1 . . . A 142 LEU CA . 19438 1 812 . 1 1 142 142 LEU CB C 13 42.60 0.01 . 1 . . . A 142 LEU CB . 19438 1 813 . 1 1 142 142 LEU N N 15 121.47 0.01 . 1 . . . A 142 LEU N . 19438 1 814 . 1 1 143 143 ASP H H 1 8.380 0.01 . 1 . . . A 143 ASP H . 19438 1 815 . 1 1 143 143 ASP HA H 1 4.673 0.01 . 1 . . . A 143 ASP HA . 19438 1 816 . 1 1 143 143 ASP C C 13 176.87 0.01 . 1 . . . A 143 ASP C . 19438 1 817 . 1 1 143 143 ASP CA C 13 54.40 0.01 . 1 . . . A 143 ASP CA . 19438 1 818 . 1 1 143 143 ASP CB C 13 41.17 0.01 . 1 . . . A 143 ASP CB . 19438 1 819 . 1 1 143 143 ASP N N 15 120.77 0.01 . 1 . . . A 143 ASP N . 19438 1 820 . 1 1 144 144 SER H H 1 8.298 0.01 . 1 . . . A 144 SER H . 19438 1 821 . 1 1 144 144 SER HA H 1 4.413 0.01 . 1 . . . A 144 SER HA . 19438 1 822 . 1 1 144 144 SER C C 13 175.30 0.01 . 1 . . . A 144 SER C . 19438 1 823 . 1 1 144 144 SER CA C 13 59.19 0.01 . 1 . . . A 144 SER CA . 19438 1 824 . 1 1 144 144 SER CB C 13 63.77 0.01 . 1 . . . A 144 SER CB . 19438 1 825 . 1 1 144 144 SER N N 15 116.82 0.01 . 1 . . . A 144 SER N . 19438 1 826 . 1 1 145 145 THR H H 1 8.208 0.01 . 1 . . . A 145 THR H . 19438 1 827 . 1 1 145 145 THR HA H 1 4.419 0.01 . 1 . . . A 145 THR HA . 19438 1 828 . 1 1 145 145 THR C C 13 175.07 0.01 . 1 . . . A 145 THR C . 19438 1 829 . 1 1 145 145 THR CA C 13 62.88 0.01 . 1 . . . A 145 THR CA . 19438 1 830 . 1 1 145 145 THR CB C 13 69.71 0.01 . 1 . . . A 145 THR CB . 19438 1 831 . 1 1 145 145 THR N N 15 114.87 0.01 . 1 . . . A 145 THR N . 19438 1 832 . 1 1 146 146 ARG H H 1 8.122 0.01 . 1 . . . A 146 ARG H . 19438 1 833 . 1 1 146 146 ARG HA H 1 4.382 0.01 . 1 . . . A 146 ARG HA . 19438 1 834 . 1 1 146 146 ARG C C 13 176.57 0.01 . 1 . . . A 146 ARG C . 19438 1 835 . 1 1 146 146 ARG CA C 13 56.35 0.01 . 1 . . . A 146 ARG CA . 19438 1 836 . 1 1 146 146 ARG CB C 13 30.62 0.01 . 1 . . . A 146 ARG CB . 19438 1 837 . 1 1 146 146 ARG N N 15 122.45 0.01 . 1 . . . A 146 ARG N . 19438 1 838 . 1 1 147 147 THR H H 1 8.039 0.01 . 1 . . . A 147 THR H . 19438 1 839 . 1 1 147 147 THR HA H 1 4.400 0.01 . 1 . . . A 147 THR HA . 19438 1 840 . 1 1 147 147 THR C C 13 175.20 0.01 . 1 . . . A 147 THR C . 19438 1 841 . 1 1 147 147 THR CA C 13 62.11 0.01 . 1 . . . A 147 THR CA . 19438 1 842 . 1 1 147 147 THR CB C 13 69.95 0.01 . 1 . . . A 147 THR CB . 19438 1 843 . 1 1 147 147 THR N N 15 113.83 0.01 . 1 . . . A 147 THR N . 19438 1 844 . 1 1 148 148 GLY H H 1 8.352 0.01 . 1 . . . A 148 GLY H . 19438 1 845 . 1 1 148 148 GLY HA2 H 1 3.935 0.01 . 2 . . . A 148 GLY HA2 . 19438 1 846 . 1 1 148 148 GLY HA3 H 1 3.935 0.01 . 2 . . . A 148 GLY HA3 . 19438 1 847 . 1 1 148 148 GLY CA C 13 45.42 0.01 . 1 . . . A 148 GLY CA . 19438 1 848 . 1 1 148 148 GLY N N 15 110.84 0.01 . 1 . . . A 148 GLY N . 19438 1 stop_ save_