data_17306 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17306 _Entry.Title ; NRC consensus ankyrin repeat protein backbone and sidechain assignments ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-11-17 _Entry.Accession_date 2010-11-17 _Entry.Last_release_date 2011-03-21 _Entry.Original_release_date 2011-03-21 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _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 Tural Aksel . . . 17306 2 Ananya Majumdar . . . 17306 3 Doug Barrick . . . 17306 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 . 'not applicable' 'not applicable' . 17306 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Johns Hopkins University' . 17306 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID ankyrin . 17306 consensus . 17306 'ising model' . 17306 NRC . 17306 'repeat protein' . 17306 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17306 heteronucl_NOEs 1 17306 heteronucl_T1_relaxation 1 17306 heteronucl_T2_relaxation 1 17306 order_parameters 1 17306 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 413 17306 '15N chemical shifts' 103 17306 '1H chemical shifts' 661 17306 'heteronuclear NOE values' 94 17306 'order parameters' 85 17306 'T1 relaxation values' 94 17306 'T2 relaxation values' 94 17306 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 . . 2011-03-21 2010-11-17 original author . 17306 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2L6B 'BMRB Entry Tracking System' 17306 stop_ save_ ############### # Citations # ############### save_NR1C_citation _Citation.Sf_category citations _Citation.Sf_framecode NR1C_citation _Citation.Entry_ID 17306 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 21397186 _Citation.Full_citation . _Citation.Title 'The contribution of entropy, enthalpy, and hydrophobic desolvation to cooperativity in repeat-protein folding.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Structure _Citation.Journal_name_full 'Structure (London, England : 1993)' _Citation.Journal_volume 19 _Citation.Journal_issue 3 _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 349 _Citation.Page_last 360 _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.Entry_ID _Citation_author.Citation_ID 1 Tural Aksel . . . 17306 1 2 Ananya Majumdar . . . 17306 1 3 Doug Barrick . . . 17306 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17306 _Assembly.ID 1 _Assembly.Name NR1C _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _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 NR1C_assembly 1 $NR1C A . yes native no no . . . 17306 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_NR1C _Entity.Sf_category entity _Entity.Sf_framecode NR1C _Entity.Entry_ID 17306 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name NR1C _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 ; GHMWGSKDGNTPLHNAAKNG HAEEVKKLLSKGADVNARSK DGNTPLHLAAKNGHAEIVKL LLAKGADVNARSKDGNTPEH LAKKNGHHEIVKLLDAKGAD VNARSWGSSHHHHHH ; _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 115 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2014-05-12 loop_ _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 no PDB 2L6B . "Nrc Consensus Ankyrin Repeat Protein Solution Structure" . . . . . 100.00 115 100.00 100.00 2.77e-72 . . . . 17306 1 no GB ADR82636 . "ankyrin repeat protein [synthetic construct]" . . . . . 100.00 116 100.00 100.00 2.57e-72 . . . . 17306 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 . GLY . 17306 1 2 . HIS . 17306 1 3 . MET . 17306 1 4 . TRP . 17306 1 5 . GLY . 17306 1 6 . SER . 17306 1 7 . LYS . 17306 1 8 . ASP . 17306 1 9 . GLY . 17306 1 10 . ASN . 17306 1 11 . THR . 17306 1 12 . PRO . 17306 1 13 . LEU . 17306 1 14 . HIS . 17306 1 15 . ASN . 17306 1 16 . ALA . 17306 1 17 . ALA . 17306 1 18 . LYS . 17306 1 19 . ASN . 17306 1 20 . GLY . 17306 1 21 . HIS . 17306 1 22 . ALA . 17306 1 23 . GLU . 17306 1 24 . GLU . 17306 1 25 . VAL . 17306 1 26 . LYS . 17306 1 27 . LYS . 17306 1 28 . LEU . 17306 1 29 . LEU . 17306 1 30 . SER . 17306 1 31 . LYS . 17306 1 32 . GLY . 17306 1 33 . ALA . 17306 1 34 . ASP . 17306 1 35 . VAL . 17306 1 36 . ASN . 17306 1 37 . ALA . 17306 1 38 . ARG . 17306 1 39 . SER . 17306 1 40 . LYS . 17306 1 41 . ASP . 17306 1 42 . GLY . 17306 1 43 . ASN . 17306 1 44 . THR . 17306 1 45 . PRO . 17306 1 46 . LEU . 17306 1 47 . HIS . 17306 1 48 . LEU . 17306 1 49 . ALA . 17306 1 50 . ALA . 17306 1 51 . LYS . 17306 1 52 . ASN . 17306 1 53 . GLY . 17306 1 54 . HIS . 17306 1 55 . ALA . 17306 1 56 . GLU . 17306 1 57 . ILE . 17306 1 58 . VAL . 17306 1 59 . LYS . 17306 1 60 . LEU . 17306 1 61 . LEU . 17306 1 62 . LEU . 17306 1 63 . ALA . 17306 1 64 . LYS . 17306 1 65 . GLY . 17306 1 66 . ALA . 17306 1 67 . ASP . 17306 1 68 . VAL . 17306 1 69 . ASN . 17306 1 70 . ALA . 17306 1 71 . ARG . 17306 1 72 . SER . 17306 1 73 . LYS . 17306 1 74 . ASP . 17306 1 75 . GLY . 17306 1 76 . ASN . 17306 1 77 . THR . 17306 1 78 . PRO . 17306 1 79 . GLU . 17306 1 80 . HIS . 17306 1 81 . LEU . 17306 1 82 . ALA . 17306 1 83 . LYS . 17306 1 84 . LYS . 17306 1 85 . ASN . 17306 1 86 . GLY . 17306 1 87 . HIS . 17306 1 88 . HIS . 17306 1 89 . GLU . 17306 1 90 . ILE . 17306 1 91 . VAL . 17306 1 92 . LYS . 17306 1 93 . LEU . 17306 1 94 . LEU . 17306 1 95 . ASP . 17306 1 96 . ALA . 17306 1 97 . LYS . 17306 1 98 . GLY . 17306 1 99 . ALA . 17306 1 100 . ASP . 17306 1 101 . VAL . 17306 1 102 . ASN . 17306 1 103 . ALA . 17306 1 104 . ARG . 17306 1 105 . SER . 17306 1 106 . TRP . 17306 1 107 . GLY . 17306 1 108 . SER . 17306 1 109 . SER . 17306 1 110 . HIS . 17306 1 111 . HIS . 17306 1 112 . HIS . 17306 1 113 . HIS . 17306 1 114 . HIS . 17306 1 115 . HIS . 17306 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 17306 1 . HIS 2 2 17306 1 . MET 3 3 17306 1 . TRP 4 4 17306 1 . GLY 5 5 17306 1 . SER 6 6 17306 1 . LYS 7 7 17306 1 . ASP 8 8 17306 1 . GLY 9 9 17306 1 . ASN 10 10 17306 1 . THR 11 11 17306 1 . PRO 12 12 17306 1 . LEU 13 13 17306 1 . HIS 14 14 17306 1 . ASN 15 15 17306 1 . ALA 16 16 17306 1 . ALA 17 17 17306 1 . LYS 18 18 17306 1 . ASN 19 19 17306 1 . GLY 20 20 17306 1 . HIS 21 21 17306 1 . ALA 22 22 17306 1 . GLU 23 23 17306 1 . GLU 24 24 17306 1 . VAL 25 25 17306 1 . LYS 26 26 17306 1 . LYS 27 27 17306 1 . LEU 28 28 17306 1 . LEU 29 29 17306 1 . SER 30 30 17306 1 . LYS 31 31 17306 1 . GLY 32 32 17306 1 . ALA 33 33 17306 1 . ASP 34 34 17306 1 . VAL 35 35 17306 1 . ASN 36 36 17306 1 . ALA 37 37 17306 1 . ARG 38 38 17306 1 . SER 39 39 17306 1 . LYS 40 40 17306 1 . ASP 41 41 17306 1 . GLY 42 42 17306 1 . ASN 43 43 17306 1 . THR 44 44 17306 1 . PRO 45 45 17306 1 . LEU 46 46 17306 1 . HIS 47 47 17306 1 . LEU 48 48 17306 1 . ALA 49 49 17306 1 . ALA 50 50 17306 1 . LYS 51 51 17306 1 . ASN 52 52 17306 1 . GLY 53 53 17306 1 . HIS 54 54 17306 1 . ALA 55 55 17306 1 . GLU 56 56 17306 1 . ILE 57 57 17306 1 . VAL 58 58 17306 1 . LYS 59 59 17306 1 . LEU 60 60 17306 1 . LEU 61 61 17306 1 . LEU 62 62 17306 1 . ALA 63 63 17306 1 . LYS 64 64 17306 1 . GLY 65 65 17306 1 . ALA 66 66 17306 1 . ASP 67 67 17306 1 . VAL 68 68 17306 1 . ASN 69 69 17306 1 . ALA 70 70 17306 1 . ARG 71 71 17306 1 . SER 72 72 17306 1 . LYS 73 73 17306 1 . ASP 74 74 17306 1 . GLY 75 75 17306 1 . ASN 76 76 17306 1 . THR 77 77 17306 1 . PRO 78 78 17306 1 . GLU 79 79 17306 1 . HIS 80 80 17306 1 . LEU 81 81 17306 1 . ALA 82 82 17306 1 . LYS 83 83 17306 1 . LYS 84 84 17306 1 . ASN 85 85 17306 1 . GLY 86 86 17306 1 . HIS 87 87 17306 1 . HIS 88 88 17306 1 . GLU 89 89 17306 1 . ILE 90 90 17306 1 . VAL 91 91 17306 1 . LYS 92 92 17306 1 . LEU 93 93 17306 1 . LEU 94 94 17306 1 . ASP 95 95 17306 1 . ALA 96 96 17306 1 . LYS 97 97 17306 1 . GLY 98 98 17306 1 . ALA 99 99 17306 1 . ASP 100 100 17306 1 . VAL 101 101 17306 1 . ASN 102 102 17306 1 . ALA 103 103 17306 1 . ARG 104 104 17306 1 . SER 105 105 17306 1 . TRP 106 106 17306 1 . GLY 107 107 17306 1 . SER 108 108 17306 1 . SER 109 109 17306 1 . HIS 110 110 17306 1 . HIS 111 111 17306 1 . HIS 112 112 17306 1 . HIS 113 113 17306 1 . HIS 114 114 17306 1 . HIS 115 115 17306 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 17306 _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 $NR1C . . 'no natural source' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 17306 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 17306 _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 $NR1C . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . T7 . . . . . . 17306 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 17306 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '25 mM NaPO4- 25 mM NaCl pH 6.5 25C' _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 NR1C '[U-100% 13C; U-100% 15N]' . . 1 $NR1C . . 2 . . mM . . . . 17306 1 2 'sodium phosphate' 'natural abundance' . . . . . . 25 . . mM . . . . 17306 1 3 'sodium chloride' 'natural abundance' . . . . . . 25 . . mM . . . . 17306 1 4 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17306 1 5 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17306 1 stop_ save_ ####################### # Sample conditions # ####################### save_NR1C_conditions _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode NR1C_conditions _Sample_condition_list.Entry_ID 17306 _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' 63 . mM 17306 1 pH 6.5 . pH 17306 1 pressure 1 . atm 17306 1 temperature 298 . K 17306 1 stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 17306 _Software.ID 1 _Software.Name CYANA _Software.Version 2 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 17306 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 17306 1 refinement 17306 1 'structure solution' 17306 1 stop_ save_ save_UNIO _Software.Sf_category software _Software.Sf_framecode UNIO _Software.Entry_ID 17306 _Software.ID 2 _Software.Name UNIO _Software.Version 2.0.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Dr. Torsten Herrmann' . http://perso.ens-lyon.fr/torsten.herrmann/Herrmann/Software.html 17306 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 17306 2 'structure solution' 17306 2 stop_ save_ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 17306 _Software.ID 3 _Software.Name CARA _Software.Version 1.8.4 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kurt Wuthrich' . http://cara.nmr.ch/doku.php/home 17306 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 17306 3 'data analysis' 17306 3 stop_ save_ save_X-PLOR_NIH _Software.Sf_category software _Software.Sf_framecode X-PLOR_NIH _Software.Entry_ID 17306 _Software.ID 4 _Software.Name 'X-PLOR NIH' _Software.Version 2.24 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 17306 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 17306 4 stop_ save_ save_ModelFree _Software.Sf_category software _Software.Sf_framecode ModelFree _Software.Entry_ID 17306 _Software.ID 5 _Software.Name ModelFree _Software.Version 4.2 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Palmer . . 17306 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 17306 5 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 17306 _Software.ID 6 _Software.Name NMRPipe _Software.Version 5.5 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 17306 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 17306 6 stop_ save_ save_TALOS _Software.Sf_category software _Software.Sf_framecode TALOS _Software.Entry_ID 17306 _Software.ID 7 _Software.Name TALOS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 17306 7 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 17306 7 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 17306 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 17306 _NMR_spectrometer.ID 2 _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 17306 _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 . 600 . . . 17306 1 2 spectrometer_2 Varian INOVA . 800 . . . 17306 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 17306 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $NR1C_conditions . . . . . . . . . . . . . . . . . . . . . 17306 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $NR1C_conditions . . . . . . . . . . . . . . . . . . . . . 17306 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $NR1C_conditions . . . . . . . . . . . . . . . . . . . . . 17306 1 4 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $NR1C_conditions . . . . . . . . . . . . . . . . . . . . . 17306 1 5 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $NR1C_conditions . . . . . . . . . . . . . . . . . . . . . 17306 1 6 '3D HNHA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $NR1C_conditions . . . . . . . . . . . . . . . . . . . . . 17306 1 7 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $NR1C_conditions . . . . . . . . . . . . . . . . . . . . . 17306 1 8 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $NR1C_conditions . . . . . . . . . . . . . . . . . . . . . 17306 1 9 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $NR1C_conditions . . . . . . . . . . . . . . . . . . . . . 17306 1 10 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $NR1C_conditions . . . . . . . . . . . . . . . . . . . . . 17306 1 11 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 anisotropic . . 1 $NR1C_conditions . . . . . . . . . . . . . . . . . . . . . 17306 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_references _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_references _Chem_shift_reference.Entry_ID 17306 _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 . indirect 0.251449530 . . . . . . . . . 17306 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 17306 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 17306 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 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list _Assigned_chem_shift_list.Entry_ID 17306 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $NR1C_conditions _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_references _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' . . . 17306 1 2 '3D CBCA(CO)NH' . . . 17306 1 3 '3D HNCACB' . . . 17306 1 4 '3D HBHA(CO)NH' . . . 17306 1 5 '3D HNCO' . . . 17306 1 9 '3D HCCH-TOCSY' . . . 17306 1 10 '3D H(CCO)NH' . . . 17306 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 3 $CARA . . 17306 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 4 4 TRP H H 1 8.254 0.020 . 1 . . . . 4 TRP H . 17306 1 2 . 1 1 4 4 TRP HA H 1 4.660 0.020 . 1 . . . . 4 TRP HA . 17306 1 3 . 1 1 4 4 TRP HB2 H 1 3.263 0.020 . 1 . . . . 4 TRP HB2 . 17306 1 4 . 1 1 4 4 TRP HB3 H 1 3.263 0.020 . 1 . . . . 4 TRP HB3 . 17306 1 5 . 1 1 4 4 TRP C C 13 176.754 0.3 . 1 . . . . 4 TRP C . 17306 1 6 . 1 1 4 4 TRP CA C 13 57.014 0.3 . 1 . . . . 4 TRP CA . 17306 1 7 . 1 1 4 4 TRP CB C 13 29.510 0.3 . 1 . . . . 4 TRP CB . 17306 1 8 . 1 1 4 4 TRP N N 15 122.429 0.3 . 1 . . . . 4 TRP N . 17306 1 9 . 1 1 5 5 GLY H H 1 8.398 0.020 . 1 . . . . 5 GLY H . 17306 1 10 . 1 1 5 5 GLY HA2 H 1 3.897 0.020 . 1 . . . . 5 GLY HA2 . 17306 1 11 . 1 1 5 5 GLY HA3 H 1 3.897 0.020 . 1 . . . . 5 GLY HA3 . 17306 1 12 . 1 1 5 5 GLY C C 13 174.052 0.3 . 1 . . . . 5 GLY C . 17306 1 13 . 1 1 5 5 GLY CA C 13 45.218 0.3 . 1 . . . . 5 GLY CA . 17306 1 14 . 1 1 5 5 GLY N N 15 110.533 0.3 . 1 . . . . 5 GLY N . 17306 1 15 . 1 1 6 6 SER H H 1 8.182 0.020 . 1 . . . . 6 SER H . 17306 1 16 . 1 1 6 6 SER HA H 1 4.467 0.020 . 1 . . . . 6 SER HA . 17306 1 17 . 1 1 6 6 SER HB2 H 1 3.897 0.020 . 1 . . . . 6 SER HB2 . 17306 1 18 . 1 1 6 6 SER HB3 H 1 3.897 0.020 . 1 . . . . 6 SER HB3 . 17306 1 19 . 1 1 6 6 SER C C 13 176.111 0.3 . 1 . . . . 6 SER C . 17306 1 20 . 1 1 6 6 SER CA C 13 58.317 0.3 . 1 . . . . 6 SER CA . 17306 1 21 . 1 1 6 6 SER CB C 13 63.967 0.3 . 1 . . . . 6 SER CB . 17306 1 22 . 1 1 6 6 SER N N 15 115.586 0.3 . 1 . . . . 6 SER N . 17306 1 23 . 1 1 7 7 LYS H H 1 8.640 0.020 . 1 . . . . 7 LYS H . 17306 1 24 . 1 1 7 7 LYS HA H 1 4.252 0.020 . 1 . . . . 7 LYS HA . 17306 1 25 . 1 1 7 7 LYS HB2 H 1 1.813 0.020 . 1 . . . . 7 LYS HB2 . 17306 1 26 . 1 1 7 7 LYS HB3 H 1 1.813 0.020 . 1 . . . . 7 LYS HB3 . 17306 1 27 . 1 1 7 7 LYS HG2 H 1 1.393 0.020 . 1 . . . . 7 LYS HG2 . 17306 1 28 . 1 1 7 7 LYS HG3 H 1 1.393 0.020 . 1 . . . . 7 LYS HG3 . 17306 1 29 . 1 1 7 7 LYS HD2 H 1 1.565 0.020 . 1 . . . . 7 LYS HD2 . 17306 1 30 . 1 1 7 7 LYS HD3 H 1 1.565 0.020 . 1 . . . . 7 LYS HD3 . 17306 1 31 . 1 1 7 7 LYS HE2 H 1 2.930 0.020 . 1 . . . . 7 LYS HE2 . 17306 1 32 . 1 1 7 7 LYS HE3 H 1 2.930 0.020 . 1 . . . . 7 LYS HE3 . 17306 1 33 . 1 1 7 7 LYS C C 13 175.043 0.3 . 1 . . . . 7 LYS C . 17306 1 34 . 1 1 7 7 LYS CA C 13 57.076 0.3 . 1 . . . . 7 LYS CA . 17306 1 35 . 1 1 7 7 LYS CB C 13 32.242 0.3 . 1 . . . . 7 LYS CB . 17306 1 36 . 1 1 7 7 LYS CG C 13 24.570 0.3 . 1 . . . . 7 LYS CG . 17306 1 37 . 1 1 7 7 LYS CD C 13 29.038 0.3 . 1 . . . . 7 LYS CD . 17306 1 38 . 1 1 7 7 LYS CE C 13 41.867 0.3 . 1 . . . . 7 LYS CE . 17306 1 39 . 1 1 7 7 LYS N N 15 123.436 0.3 . 1 . . . . 7 LYS N . 17306 1 40 . 1 1 8 8 ASP H H 1 8.089 0.020 . 1 . . . . 8 ASP H . 17306 1 41 . 1 1 8 8 ASP HA H 1 4.477 0.020 . 1 . . . . 8 ASP HA . 17306 1 42 . 1 1 8 8 ASP HB2 H 1 2.683 0.020 . 1 . . . . 8 ASP HB2 . 17306 1 43 . 1 1 8 8 ASP HB3 H 1 2.683 0.020 . 1 . . . . 8 ASP HB3 . 17306 1 44 . 1 1 8 8 ASP C C 13 177.153 0.3 . 1 . . . . 8 ASP C . 17306 1 45 . 1 1 8 8 ASP CA C 13 54.034 0.3 . 1 . . . . 8 ASP CA . 17306 1 46 . 1 1 8 8 ASP CB C 13 40.810 0.3 . 1 . . . . 8 ASP CB . 17306 1 47 . 1 1 8 8 ASP N N 15 117.564 0.3 . 1 . . . . 8 ASP N . 17306 1 48 . 1 1 9 9 GLY H H 1 8.352 0.020 . 1 . . . . 9 GLY H . 17306 1 49 . 1 1 9 9 GLY HA2 H 1 3.843 0.020 . 2 . . . . 9 GLY HA2 . 17306 1 50 . 1 1 9 9 GLY HA3 H 1 3.801 0.020 . 2 . . . . 9 GLY HA3 . 17306 1 51 . 1 1 9 9 GLY C C 13 173.357 0.3 . 1 . . . . 9 GLY C . 17306 1 52 . 1 1 9 9 GLY CA C 13 45.963 0.3 . 1 . . . . 9 GLY CA . 17306 1 53 . 1 1 9 9 GLY N N 15 109.269 0.3 . 1 . . . . 9 GLY N . 17306 1 54 . 1 1 10 10 ASN H H 1 8.044 0.020 . 1 . . . . 10 ASN H . 17306 1 55 . 1 1 10 10 ASN HA H 1 3.854 0.020 . 1 . . . . 10 ASN HA . 17306 1 56 . 1 1 10 10 ASN HB2 H 1 2.833 0.020 . 2 . . . . 10 ASN HB2 . 17306 1 57 . 1 1 10 10 ASN HB3 H 1 2.414 0.020 . 2 . . . . 10 ASN HB3 . 17306 1 58 . 1 1 10 10 ASN C C 13 175.635 0.3 . 1 . . . . 10 ASN C . 17306 1 59 . 1 1 10 10 ASN CA C 13 53.475 0.3 . 1 . . . . 10 ASN CA . 17306 1 60 . 1 1 10 10 ASN CB C 13 38.140 0.3 . 1 . . . . 10 ASN CB . 17306 1 61 . 1 1 10 10 ASN N N 15 119.301 0.3 . 1 . . . . 10 ASN N . 17306 1 62 . 1 1 11 11 THR H H 1 8.440 0.020 . 1 . . . . 11 THR H . 17306 1 63 . 1 1 11 11 THR CA C 13 60.366 0.3 . 1 . . . . 11 THR CA . 17306 1 64 . 1 1 11 11 THR CB C 13 69.492 0.3 . 1 . . . . 11 THR CB . 17306 1 65 . 1 1 11 11 THR N N 15 117.887 0.3 . 1 . . . . 11 THR N . 17306 1 66 . 1 1 12 12 PRO HA H 1 4.349 0.020 . 1 . . . . 12 PRO HA . 17306 1 67 . 1 1 12 12 PRO HB2 H 1 2.414 0.020 . 1 . . . . 12 PRO HB2 . 17306 1 68 . 1 1 12 12 PRO HB3 H 1 2.414 0.020 . 1 . . . . 12 PRO HB3 . 17306 1 69 . 1 1 12 12 PRO HG2 H 1 2.124 0.020 . 1 . . . . 12 PRO HG2 . 17306 1 70 . 1 1 12 12 PRO HG3 H 1 2.124 0.020 . 1 . . . . 12 PRO HG3 . 17306 1 71 . 1 1 12 12 PRO C C 13 179.354 0.3 . 1 . . . . 12 PRO C . 17306 1 72 . 1 1 12 12 PRO CA C 13 65.818 0.3 . 1 . . . . 12 PRO CA . 17306 1 73 . 1 1 12 12 PRO CB C 13 31.733 0.3 . 1 . . . . 12 PRO CB . 17306 1 74 . 1 1 12 12 PRO CG C 13 27.957 0.3 . 1 . . . . 12 PRO CG . 17306 1 75 . 1 1 12 12 PRO CD C 13 50.155 0.3 . 1 . . . . 12 PRO CD . 17306 1 76 . 1 1 13 13 LEU H H 1 8.656 0.020 . 1 . . . . 13 LEU H . 17306 1 77 . 1 1 13 13 LEU HA H 1 4.005 0.020 . 1 . . . . 13 LEU HA . 17306 1 78 . 1 1 13 13 LEU HB2 H 1 1.651 0.020 . 2 . . . . 13 LEU HB2 . 17306 1 79 . 1 1 13 13 LEU HB3 H 1 1.350 0.020 . 2 . . . . 13 LEU HB3 . 17306 1 80 . 1 1 13 13 LEU HG H 1 1.350 0.020 . 1 . . . . 13 LEU HG . 17306 1 81 . 1 1 13 13 LEU HD11 H 1 0.888 0.020 . 1 . . . . 13 LEU HD1 . 17306 1 82 . 1 1 13 13 LEU HD12 H 1 0.888 0.020 . 1 . . . . 13 LEU HD1 . 17306 1 83 . 1 1 13 13 LEU HD13 H 1 0.888 0.020 . 1 . . . . 13 LEU HD1 . 17306 1 84 . 1 1 13 13 LEU HD21 H 1 0.695 0.020 . 1 . . . . 13 LEU HD2 . 17306 1 85 . 1 1 13 13 LEU HD22 H 1 0.695 0.020 . 1 . . . . 13 LEU HD2 . 17306 1 86 . 1 1 13 13 LEU HD23 H 1 0.695 0.020 . 1 . . . . 13 LEU HD2 . 17306 1 87 . 1 1 13 13 LEU C C 13 178.607 0.3 . 1 . . . . 13 LEU C . 17306 1 88 . 1 1 13 13 LEU CA C 13 57.672 0.3 . 1 . . . . 13 LEU CA . 17306 1 89 . 1 1 13 13 LEU CB C 13 41.147 0.3 . 1 . . . . 13 LEU CB . 17306 1 90 . 1 1 13 13 LEU CG C 13 27.597 0.3 . 1 . . . . 13 LEU CG . 17306 1 91 . 1 1 13 13 LEU CD1 C 13 26.804 0.3 . 1 . . . . 13 LEU CD1 . 17306 1 92 . 1 1 13 13 LEU CD2 C 13 24.786 0.3 . 1 . . . . 13 LEU CD2 . 17306 1 93 . 1 1 13 13 LEU N N 15 119.136 0.3 . 1 . . . . 13 LEU N . 17306 1 94 . 1 1 14 14 HIS H H 1 7.852 0.020 . 1 . . . . 14 HIS H . 17306 1 95 . 1 1 14 14 HIS HA H 1 3.639 0.020 . 1 . . . . 14 HIS HA . 17306 1 96 . 1 1 14 14 HIS HB2 H 1 3.403 0.020 . 2 . . . . 14 HIS HB2 . 17306 1 97 . 1 1 14 14 HIS HB3 H 1 2.919 0.020 . 2 . . . . 14 HIS HB3 . 17306 1 98 . 1 1 14 14 HIS C C 13 177.179 0.3 . 1 . . . . 14 HIS C . 17306 1 99 . 1 1 14 14 HIS CA C 13 63.662 0.3 . 1 . . . . 14 HIS CA . 17306 1 100 . 1 1 14 14 HIS CB C 13 30.251 0.3 . 1 . . . . 14 HIS CB . 17306 1 101 . 1 1 14 14 HIS N N 15 117.778 0.3 . 1 . . . . 14 HIS N . 17306 1 102 . 1 1 15 15 ASN H H 1 7.653 0.020 . 1 . . . . 15 ASN H . 17306 1 103 . 1 1 15 15 ASN HA H 1 4.306 0.020 . 1 . . . . 15 ASN HA . 17306 1 104 . 1 1 15 15 ASN HB2 H 1 2.758 0.020 . 1 . . . . 15 ASN HB2 . 17306 1 105 . 1 1 15 15 ASN HB3 H 1 2.758 0.020 . 1 . . . . 15 ASN HB3 . 17306 1 106 . 1 1 15 15 ASN C C 13 176.677 0.3 . 1 . . . . 15 ASN C . 17306 1 107 . 1 1 15 15 ASN CA C 13 56.013 0.3 . 1 . . . . 15 ASN CA . 17306 1 108 . 1 1 15 15 ASN CB C 13 37.683 0.3 . 1 . . . . 15 ASN CB . 17306 1 109 . 1 1 15 15 ASN N N 15 115.519 0.3 . 1 . . . . 15 ASN N . 17306 1 110 . 1 1 16 16 ALA H H 1 8.358 0.020 . 1 . . . . 16 ALA H . 17306 1 111 . 1 1 16 16 ALA HA H 1 4.166 0.020 . 1 . . . . 16 ALA HA . 17306 1 112 . 1 1 16 16 ALA HB1 H 1 1.426 0.020 . 1 . . . . 16 ALA HB . 17306 1 113 . 1 1 16 16 ALA HB2 H 1 1.426 0.020 . 1 . . . . 16 ALA HB . 17306 1 114 . 1 1 16 16 ALA HB3 H 1 1.426 0.020 . 1 . . . . 16 ALA HB . 17306 1 115 . 1 1 16 16 ALA C C 13 178.659 0.3 . 1 . . . . 16 ALA C . 17306 1 116 . 1 1 16 16 ALA CA C 13 54.858 0.3 . 1 . . . . 16 ALA CA . 17306 1 117 . 1 1 16 16 ALA CB C 13 18.633 0.3 . 1 . . . . 16 ALA CB . 17306 1 118 . 1 1 16 16 ALA N N 15 122.154 0.3 . 1 . . . . 16 ALA N . 17306 1 119 . 1 1 17 17 ALA H H 1 8.073 0.020 . 1 . . . . 17 ALA H . 17306 1 120 . 1 1 17 17 ALA HA H 1 3.897 0.020 . 1 . . . . 17 ALA HA . 17306 1 121 . 1 1 17 17 ALA HB1 H 1 1.383 0.020 . 1 . . . . 17 ALA HB . 17306 1 122 . 1 1 17 17 ALA HB2 H 1 1.383 0.020 . 1 . . . . 17 ALA HB . 17306 1 123 . 1 1 17 17 ALA HB3 H 1 1.383 0.020 . 1 . . . . 17 ALA HB . 17306 1 124 . 1 1 17 17 ALA C C 13 178.105 0.3 . 1 . . . . 17 ALA C . 17306 1 125 . 1 1 17 17 ALA CA C 13 54.829 0.3 . 1 . . . . 17 ALA CA . 17306 1 126 . 1 1 17 17 ALA CB C 13 19.011 0.3 . 1 . . . . 17 ALA CB . 17306 1 127 . 1 1 17 17 ALA N N 15 118.707 0.3 . 1 . . . . 17 ALA N . 17306 1 128 . 1 1 18 18 LYS H H 1 8.294 0.020 . 1 . . . . 18 LYS H . 17306 1 129 . 1 1 18 18 LYS HA H 1 3.693 0.020 . 1 . . . . 18 LYS HA . 17306 1 130 . 1 1 18 18 LYS HB2 H 1 1.909 0.020 . 1 . . . . 18 LYS HB2 . 17306 1 131 . 1 1 18 18 LYS HB3 H 1 1.909 0.020 . 1 . . . . 18 LYS HB3 . 17306 1 132 . 1 1 18 18 LYS HG2 H 1 1.350 0.020 . 1 . . . . 18 LYS HG2 . 17306 1 133 . 1 1 18 18 LYS HG3 H 1 1.350 0.020 . 1 . . . . 18 LYS HG3 . 17306 1 134 . 1 1 18 18 LYS HD2 H 1 1.608 0.020 . 1 . . . . 18 LYS HD2 . 17306 1 135 . 1 1 18 18 LYS HD3 H 1 1.608 0.020 . 1 . . . . 18 LYS HD3 . 17306 1 136 . 1 1 18 18 LYS HE2 H 1 2.941 0.020 . 1 . . . . 18 LYS HE2 . 17306 1 137 . 1 1 18 18 LYS HE3 H 1 2.941 0.020 . 1 . . . . 18 LYS HE3 . 17306 1 138 . 1 1 18 18 LYS C C 13 177.591 0.3 . 1 . . . . 18 LYS C . 17306 1 139 . 1 1 18 18 LYS CA C 13 58.611 0.3 . 1 . . . . 18 LYS CA . 17306 1 140 . 1 1 18 18 LYS CB C 13 32.849 0.3 . 1 . . . . 18 LYS CB . 17306 1 141 . 1 1 18 18 LYS CG C 13 23.922 0.3 . 1 . . . . 18 LYS CG . 17306 1 142 . 1 1 18 18 LYS CD C 13 29.615 0.3 . 1 . . . . 18 LYS CD . 17306 1 143 . 1 1 18 18 LYS CE C 13 41.650 0.3 . 1 . . . . 18 LYS CE . 17306 1 144 . 1 1 18 18 LYS N N 15 115.637 0.3 . 1 . . . . 18 LYS N . 17306 1 145 . 1 1 19 19 ASN H H 1 7.459 0.020 . 1 . . . . 19 ASN H . 17306 1 146 . 1 1 19 19 ASN HA H 1 4.692 0.020 . 1 . . . . 19 ASN HA . 17306 1 147 . 1 1 19 19 ASN HB2 H 1 2.468 0.020 . 2 . . . . 19 ASN HB2 . 17306 1 148 . 1 1 19 19 ASN HB3 H 1 2.199 0.020 . 2 . . . . 19 ASN HB3 . 17306 1 149 . 1 1 19 19 ASN C C 13 175.184 0.3 . 1 . . . . 19 ASN C . 17306 1 150 . 1 1 19 19 ASN CA C 13 52.838 0.3 . 1 . . . . 19 ASN CA . 17306 1 151 . 1 1 19 19 ASN CB C 13 38.694 0.3 . 1 . . . . 19 ASN CB . 17306 1 152 . 1 1 19 19 ASN N N 15 111.949 0.3 . 1 . . . . 19 ASN N . 17306 1 153 . 1 1 20 20 GLY H H 1 7.032 0.020 . 1 . . . . 20 GLY H . 17306 1 154 . 1 1 20 20 GLY HA2 H 1 2.941 0.020 . 1 . . . . 20 GLY HA2 . 17306 1 155 . 1 1 20 20 GLY C C 13 174.386 0.3 . 1 . . . . 20 GLY C . 17306 1 156 . 1 1 20 20 GLY CA C 13 44.395 0.3 . 1 . . . . 20 GLY CA . 17306 1 157 . 1 1 20 20 GLY N N 15 108.038 0.3 . 1 . . . . 20 GLY N . 17306 1 158 . 1 1 21 21 HIS H H 1 8.041 0.020 . 1 . . . . 21 HIS H . 17306 1 159 . 1 1 21 21 HIS HA H 1 4.950 0.020 . 1 . . . . 21 HIS HA . 17306 1 160 . 1 1 21 21 HIS HB2 H 1 3.328 0.020 . 2 . . . . 21 HIS HB2 . 17306 1 161 . 1 1 21 21 HIS HB3 H 1 2.984 0.020 . 2 . . . . 21 HIS HB3 . 17306 1 162 . 1 1 21 21 HIS C C 13 174.579 0.3 . 1 . . . . 21 HIS C . 17306 1 163 . 1 1 21 21 HIS CA C 13 53.034 0.3 . 1 . . . . 21 HIS CA . 17306 1 164 . 1 1 21 21 HIS CB C 13 28.983 0.3 . 1 . . . . 21 HIS CB . 17306 1 165 . 1 1 21 21 HIS N N 15 120.867 0.3 . 1 . . . . 21 HIS N . 17306 1 166 . 1 1 22 22 ALA H H 1 8.256 0.020 . 1 . . . . 22 ALA H . 17306 1 167 . 1 1 22 22 ALA HA H 1 3.510 0.020 . 1 . . . . 22 ALA HA . 17306 1 168 . 1 1 22 22 ALA HB1 H 1 1.329 0.020 . 1 . . . . 22 ALA HB . 17306 1 169 . 1 1 22 22 ALA HB2 H 1 1.329 0.020 . 1 . . . . 22 ALA HB . 17306 1 170 . 1 1 22 22 ALA HB3 H 1 1.329 0.020 . 1 . . . . 22 ALA HB . 17306 1 171 . 1 1 22 22 ALA C C 13 178.813 0.3 . 1 . . . . 22 ALA C . 17306 1 172 . 1 1 22 22 ALA CA C 13 56.229 0.3 . 1 . . . . 22 ALA CA . 17306 1 173 . 1 1 22 22 ALA CB C 13 18.127 0.3 . 1 . . . . 22 ALA CB . 17306 1 174 . 1 1 22 22 ALA N N 15 128.535 0.3 . 1 . . . . 22 ALA N . 17306 1 175 . 1 1 23 23 GLU H H 1 8.871 0.020 . 1 . . . . 23 GLU H . 17306 1 176 . 1 1 23 23 GLU HA H 1 3.929 0.020 . 1 . . . . 23 GLU HA . 17306 1 177 . 1 1 23 23 GLU HB2 H 1 2.049 0.020 . 1 . . . . 23 GLU HB2 . 17306 1 178 . 1 1 23 23 GLU HB3 H 1 2.049 0.020 . 1 . . . . 23 GLU HB3 . 17306 1 179 . 1 1 23 23 GLU HG2 H 1 2.318 0.020 . 1 . . . . 23 GLU HG2 . 17306 1 180 . 1 1 23 23 GLU HG3 H 1 2.318 0.020 . 1 . . . . 23 GLU HG3 . 17306 1 181 . 1 1 23 23 GLU C C 13 179.135 0.3 . 1 . . . . 23 GLU C . 17306 1 182 . 1 1 23 23 GLU CA C 13 59.260 0.3 . 1 . . . . 23 GLU CA . 17306 1 183 . 1 1 23 23 GLU CB C 13 28.375 0.3 . 1 . . . . 23 GLU CB . 17306 1 184 . 1 1 23 23 GLU CG C 13 36.173 0.3 . 1 . . . . 23 GLU CG . 17306 1 185 . 1 1 23 23 GLU N N 15 116.820 0.3 . 1 . . . . 23 GLU N . 17306 1 186 . 1 1 24 24 GLU H H 1 7.488 0.020 . 1 . . . . 24 GLU H . 17306 1 187 . 1 1 24 24 GLU HA H 1 4.091 0.020 . 1 . . . . 24 GLU HA . 17306 1 188 . 1 1 24 24 GLU HB2 H 1 1.888 0.020 . 1 . . . . 24 GLU HB2 . 17306 1 189 . 1 1 24 24 GLU HB3 H 1 1.888 0.020 . 1 . . . . 24 GLU HB3 . 17306 1 190 . 1 1 24 24 GLU HG2 H 1 2.167 0.020 . 1 . . . . 24 GLU HG2 . 17306 1 191 . 1 1 24 24 GLU HG3 H 1 2.167 0.020 . 1 . . . . 24 GLU HG3 . 17306 1 192 . 1 1 24 24 GLU C C 13 178.569 0.3 . 1 . . . . 24 GLU C . 17306 1 193 . 1 1 24 24 GLU CA C 13 58.394 0.3 . 1 . . . . 24 GLU CA . 17306 1 194 . 1 1 24 24 GLU CB C 13 29.024 0.3 . 1 . . . . 24 GLU CB . 17306 1 195 . 1 1 24 24 GLU CG C 13 34.876 0.3 . 1 . . . . 24 GLU CG . 17306 1 196 . 1 1 24 24 GLU N N 15 120.851 0.3 . 1 . . . . 24 GLU N . 17306 1 197 . 1 1 25 25 VAL H H 1 7.973 0.020 . 1 . . . . 25 VAL H . 17306 1 198 . 1 1 25 25 VAL HA H 1 3.285 0.020 . 1 . . . . 25 VAL HA . 17306 1 199 . 1 1 25 25 VAL HB H 1 2.199 0.020 . 1 . . . . 25 VAL HB . 17306 1 200 . 1 1 25 25 VAL HG11 H 1 0.802 0.020 . 1 . . . . 25 VAL HG1 . 17306 1 201 . 1 1 25 25 VAL HG12 H 1 0.802 0.020 . 1 . . . . 25 VAL HG1 . 17306 1 202 . 1 1 25 25 VAL HG13 H 1 0.802 0.020 . 1 . . . . 25 VAL HG1 . 17306 1 203 . 1 1 25 25 VAL HG21 H 1 0.802 0.020 . 1 . . . . 25 VAL HG2 . 17306 1 204 . 1 1 25 25 VAL HG22 H 1 0.802 0.020 . 1 . . . . 25 VAL HG2 . 17306 1 205 . 1 1 25 25 VAL HG23 H 1 0.802 0.020 . 1 . . . . 25 VAL HG2 . 17306 1 206 . 1 1 25 25 VAL C C 13 176.973 0.3 . 1 . . . . 25 VAL C . 17306 1 207 . 1 1 25 25 VAL CA C 13 67.487 0.3 . 1 . . . . 25 VAL CA . 17306 1 208 . 1 1 25 25 VAL CB C 13 30.612 0.3 . 1 . . . . 25 VAL CB . 17306 1 209 . 1 1 25 25 VAL CG1 C 13 23.417 0.3 . 1 . . . . 25 VAL CG1 . 17306 1 210 . 1 1 25 25 VAL CG2 C 13 21.832 0.3 . 1 . . . . 25 VAL CG2 . 17306 1 211 . 1 1 25 25 VAL N N 15 118.671 0.3 . 1 . . . . 25 VAL N . 17306 1 212 . 1 1 26 26 LYS H H 1 8.071 0.020 . 1 . . . . 26 LYS H . 17306 1 213 . 1 1 26 26 LYS HA H 1 3.768 0.020 . 1 . . . . 26 LYS HA . 17306 1 214 . 1 1 26 26 LYS HB2 H 1 1.866 0.020 . 1 . . . . 26 LYS HB2 . 17306 1 215 . 1 1 26 26 LYS HB3 H 1 1.866 0.020 . 1 . . . . 26 LYS HB3 . 17306 1 216 . 1 1 26 26 LYS HG2 H 1 1.404 0.020 . 1 . . . . 26 LYS HG2 . 17306 1 217 . 1 1 26 26 LYS HG3 H 1 1.404 0.020 . 1 . . . . 26 LYS HG3 . 17306 1 218 . 1 1 26 26 LYS HD2 H 1 1.576 0.020 . 1 . . . . 26 LYS HD2 . 17306 1 219 . 1 1 26 26 LYS HD3 H 1 1.576 0.020 . 1 . . . . 26 LYS HD3 . 17306 1 220 . 1 1 26 26 LYS HE2 H 1 2.812 0.020 . 1 . . . . 26 LYS HE2 . 17306 1 221 . 1 1 26 26 LYS HE3 H 1 2.812 0.020 . 1 . . . . 26 LYS HE3 . 17306 1 222 . 1 1 26 26 LYS C C 13 179.534 0.3 . 1 . . . . 26 LYS C . 17306 1 223 . 1 1 26 26 LYS CA C 13 60.343 0.3 . 1 . . . . 26 LYS CA . 17306 1 224 . 1 1 26 26 LYS CB C 13 32.560 0.3 . 1 . . . . 26 LYS CB . 17306 1 225 . 1 1 26 26 LYS CG C 13 25.939 0.3 . 1 . . . . 26 LYS CG . 17306 1 226 . 1 1 26 26 LYS CD C 13 29.615 0.3 . 1 . . . . 26 LYS CD . 17306 1 227 . 1 1 26 26 LYS CE C 13 41.939 0.3 . 1 . . . . 26 LYS CE . 17306 1 228 . 1 1 26 26 LYS N N 15 117.784 0.3 . 1 . . . . 26 LYS N . 17306 1 229 . 1 1 27 27 LYS H H 1 7.898 0.020 . 1 . . . . 27 LYS H . 17306 1 230 . 1 1 27 27 LYS HA H 1 3.951 0.020 . 1 . . . . 27 LYS HA . 17306 1 231 . 1 1 27 27 LYS HB2 H 1 1.866 0.020 . 1 . . . . 27 LYS HB2 . 17306 1 232 . 1 1 27 27 LYS HB3 H 1 1.866 0.020 . 1 . . . . 27 LYS HB3 . 17306 1 233 . 1 1 27 27 LYS HG2 H 1 1.286 0.020 . 1 . . . . 27 LYS HG2 . 17306 1 234 . 1 1 27 27 LYS HG3 H 1 1.286 0.020 . 1 . . . . 27 LYS HG3 . 17306 1 235 . 1 1 27 27 LYS HD2 H 1 1.544 0.020 . 1 . . . . 27 LYS HD2 . 17306 1 236 . 1 1 27 27 LYS HD3 H 1 1.544 0.020 . 1 . . . . 27 LYS HD3 . 17306 1 237 . 1 1 27 27 LYS HE2 H 1 2.876 0.020 . 1 . . . . 27 LYS HE2 . 17306 1 238 . 1 1 27 27 LYS HE3 H 1 2.876 0.020 . 1 . . . . 27 LYS HE3 . 17306 1 239 . 1 1 27 27 LYS C C 13 179.701 0.3 . 1 . . . . 27 LYS C . 17306 1 240 . 1 1 27 27 LYS CA C 13 59.404 0.3 . 1 . . . . 27 LYS CA . 17306 1 241 . 1 1 27 27 LYS CB C 13 32.344 0.3 . 1 . . . . 27 LYS CB . 17306 1 242 . 1 1 27 27 LYS CG C 13 24.714 0.3 . 1 . . . . 27 LYS CG . 17306 1 243 . 1 1 27 27 LYS CD C 13 29.183 0.3 . 1 . . . . 27 LYS CD . 17306 1 244 . 1 1 27 27 LYS CE C 13 41.650 0.3 . 1 . . . . 27 LYS CE . 17306 1 245 . 1 1 27 27 LYS N N 15 120.349 0.3 . 1 . . . . 27 LYS N . 17306 1 246 . 1 1 28 28 LEU H H 1 8.599 0.020 . 1 . . . . 28 LEU H . 17306 1 247 . 1 1 28 28 LEU HA H 1 3.940 0.020 . 1 . . . . 28 LEU HA . 17306 1 248 . 1 1 28 28 LEU HB2 H 1 1.866 0.020 . 2 . . . . 28 LEU HB2 . 17306 1 249 . 1 1 28 28 LEU HB3 H 1 1.093 0.020 . 2 . . . . 28 LEU HB3 . 17306 1 250 . 1 1 28 28 LEU HG H 1 1.093 0.020 . 1 . . . . 28 LEU HG . 17306 1 251 . 1 1 28 28 LEU HD11 H 1 0.813 0.020 . 1 . . . . 28 LEU HD1 . 17306 1 252 . 1 1 28 28 LEU HD12 H 1 0.813 0.020 . 1 . . . . 28 LEU HD1 . 17306 1 253 . 1 1 28 28 LEU HD13 H 1 0.813 0.020 . 1 . . . . 28 LEU HD1 . 17306 1 254 . 1 1 28 28 LEU HD21 H 1 0.630 0.020 . 1 . . . . 28 LEU HD2 . 17306 1 255 . 1 1 28 28 LEU HD22 H 1 0.630 0.020 . 1 . . . . 28 LEU HD2 . 17306 1 256 . 1 1 28 28 LEU HD23 H 1 0.630 0.020 . 1 . . . . 28 LEU HD2 . 17306 1 257 . 1 1 28 28 LEU C C 13 180.473 0.3 . 1 . . . . 28 LEU C . 17306 1 258 . 1 1 28 28 LEU CA C 13 57.817 0.3 . 1 . . . . 28 LEU CA . 17306 1 259 . 1 1 28 28 LEU CB C 13 41.652 0.3 . 1 . . . . 28 LEU CB . 17306 1 260 . 1 1 28 28 LEU CG C 13 26.012 0.3 . 1 . . . . 28 LEU CG . 17306 1 261 . 1 1 28 28 LEU CD1 C 13 22.192 0.3 . 1 . . . . 28 LEU CD1 . 17306 1 262 . 1 1 28 28 LEU CD2 C 13 22.192 0.3 . 1 . . . . 28 LEU CD2 . 17306 1 263 . 1 1 28 28 LEU N N 15 120.488 0.3 . 1 . . . . 28 LEU N . 17306 1 264 . 1 1 29 29 LEU H H 1 8.673 0.020 . 1 . . . . 29 LEU H . 17306 1 265 . 1 1 29 29 LEU HA H 1 4.080 0.020 . 1 . . . . 29 LEU HA . 17306 1 266 . 1 1 29 29 LEU HB2 H 1 2.006 0.020 . 2 . . . . 29 LEU HB2 . 17306 1 267 . 1 1 29 29 LEU HB3 H 1 1.372 0.020 . 2 . . . . 29 LEU HB3 . 17306 1 268 . 1 1 29 29 LEU HG H 1 1.372 0.020 . 1 . . . . 29 LEU HG . 17306 1 269 . 1 1 29 29 LEU HD11 H 1 0.695 0.020 . 1 . . . . 29 LEU HD1 . 17306 1 270 . 1 1 29 29 LEU HD12 H 1 0.695 0.020 . 1 . . . . 29 LEU HD1 . 17306 1 271 . 1 1 29 29 LEU HD13 H 1 0.695 0.020 . 1 . . . . 29 LEU HD1 . 17306 1 272 . 1 1 29 29 LEU HD21 H 1 0.695 0.020 . 1 . . . . 29 LEU HD2 . 17306 1 273 . 1 1 29 29 LEU HD22 H 1 0.695 0.020 . 1 . . . . 29 LEU HD2 . 17306 1 274 . 1 1 29 29 LEU HD23 H 1 0.695 0.020 . 1 . . . . 29 LEU HD2 . 17306 1 275 . 1 1 29 29 LEU C C 13 181.091 0.3 . 1 . . . . 29 LEU C . 17306 1 276 . 1 1 29 29 LEU CA C 13 57.817 0.3 . 1 . . . . 29 LEU CA . 17306 1 277 . 1 1 29 29 LEU CB C 13 41.003 0.3 . 1 . . . . 29 LEU CB . 17306 1 278 . 1 1 29 29 LEU CG C 13 26.084 0.3 . 1 . . . . 29 LEU CG . 17306 1 279 . 1 1 29 29 LEU CD1 C 13 22.840 0.3 . 1 . . . . 29 LEU CD1 . 17306 1 280 . 1 1 29 29 LEU CD2 C 13 22.840 0.3 . 1 . . . . 29 LEU CD2 . 17306 1 281 . 1 1 29 29 LEU N N 15 119.045 0.3 . 1 . . . . 29 LEU N . 17306 1 282 . 1 1 30 30 SER H H 1 8.147 0.020 . 1 . . . . 30 SER H . 17306 1 283 . 1 1 30 30 SER HA H 1 4.349 0.020 . 1 . . . . 30 SER HA . 17306 1 284 . 1 1 30 30 SER HB2 H 1 4.048 0.020 . 1 . . . . 30 SER HB2 . 17306 1 285 . 1 1 30 30 SER HB3 H 1 4.048 0.020 . 1 . . . . 30 SER HB3 . 17306 1 286 . 1 1 30 30 SER C C 13 175.236 0.3 . 1 . . . . 30 SER C . 17306 1 287 . 1 1 30 30 SER CA C 13 61.208 0.3 . 1 . . . . 30 SER CA . 17306 1 288 . 1 1 30 30 SER CB C 13 62.652 0.3 . 1 . . . . 30 SER CB . 17306 1 289 . 1 1 30 30 SER N N 15 117.021 0.3 . 1 . . . . 30 SER N . 17306 1 290 . 1 1 31 31 LYS H H 1 7.405 0.020 . 1 . . . . 31 LYS H . 17306 1 291 . 1 1 31 31 LYS HA H 1 4.445 0.020 . 1 . . . . 31 LYS HA . 17306 1 292 . 1 1 31 31 LYS HB2 H 1 2.135 0.020 . 2 . . . . 31 LYS HB2 . 17306 1 293 . 1 1 31 31 LYS HB3 H 1 1.791 0.020 . 2 . . . . 31 LYS HB3 . 17306 1 294 . 1 1 31 31 LYS HG2 H 1 1.544 0.020 . 1 . . . . 31 LYS HG2 . 17306 1 295 . 1 1 31 31 LYS HG3 H 1 1.544 0.020 . 1 . . . . 31 LYS HG3 . 17306 1 296 . 1 1 31 31 LYS HD2 H 1 1.544 0.020 . 1 . . . . 31 LYS HD2 . 17306 1 297 . 1 1 31 31 LYS HD3 H 1 1.544 0.020 . 1 . . . . 31 LYS HD3 . 17306 1 298 . 1 1 31 31 LYS HE2 H 1 2.909 0.020 . 1 . . . . 31 LYS HE2 . 17306 1 299 . 1 1 31 31 LYS HE3 H 1 2.909 0.020 . 1 . . . . 31 LYS HE3 . 17306 1 300 . 1 1 31 31 LYS C C 13 176.857 0.3 . 1 . . . . 31 LYS C . 17306 1 301 . 1 1 31 31 LYS CA C 13 55.724 0.3 . 1 . . . . 31 LYS CA . 17306 1 302 . 1 1 31 31 LYS CB C 13 32.343 0.3 . 1 . . . . 31 LYS CB . 17306 1 303 . 1 1 31 31 LYS CG C 13 24.714 0.3 . 1 . . . . 31 LYS CG . 17306 1 304 . 1 1 31 31 LYS CD C 13 28.894 0.3 . 1 . . . . 31 LYS CD . 17306 1 305 . 1 1 31 31 LYS CE C 13 41.939 0.3 . 1 . . . . 31 LYS CE . 17306 1 306 . 1 1 31 31 LYS N N 15 119.706 0.3 . 1 . . . . 31 LYS N . 17306 1 307 . 1 1 32 32 GLY H H 1 7.690 0.020 . 1 . . . . 32 GLY H . 17306 1 308 . 1 1 32 32 GLY HA2 H 1 4.252 0.020 . 2 . . . . 32 GLY HA2 . 17306 1 309 . 1 1 32 32 GLY HA3 H 1 3.790 0.020 . 2 . . . . 32 GLY HA3 . 17306 1 310 . 1 1 32 32 GLY C C 13 174.734 0.3 . 1 . . . . 32 GLY C . 17306 1 311 . 1 1 32 32 GLY CA C 13 45.477 0.3 . 1 . . . . 32 GLY CA . 17306 1 312 . 1 1 32 32 GLY N N 15 106.334 0.3 . 1 . . . . 32 GLY N . 17306 1 313 . 1 1 33 33 ALA H H 1 7.676 0.020 . 1 . . . . 33 ALA H . 17306 1 314 . 1 1 33 33 ALA HA H 1 4.101 0.020 . 1 . . . . 33 ALA HA . 17306 1 315 . 1 1 33 33 ALA HB1 H 1 1.179 0.020 . 1 . . . . 33 ALA HB . 17306 1 316 . 1 1 33 33 ALA HB2 H 1 1.179 0.020 . 1 . . . . 33 ALA HB . 17306 1 317 . 1 1 33 33 ALA HB3 H 1 1.179 0.020 . 1 . . . . 33 ALA HB . 17306 1 318 . 1 1 33 33 ALA C C 13 176.497 0.3 . 1 . . . . 33 ALA C . 17306 1 319 . 1 1 33 33 ALA CA C 13 52.693 0.3 . 1 . . . . 33 ALA CA . 17306 1 320 . 1 1 33 33 ALA CB C 13 19.859 0.3 . 1 . . . . 33 ALA CB . 17306 1 321 . 1 1 33 33 ALA N N 15 122.432 0.3 . 1 . . . . 33 ALA N . 17306 1 322 . 1 1 34 34 ASP H H 1 8.161 0.020 . 1 . . . . 34 ASP H . 17306 1 323 . 1 1 34 34 ASP HA H 1 4.520 0.020 . 1 . . . . 34 ASP HA . 17306 1 324 . 1 1 34 34 ASP HB2 H 1 2.769 0.020 . 1 . . . . 34 ASP HB2 . 17306 1 325 . 1 1 34 34 ASP HB3 H 1 2.769 0.020 . 1 . . . . 34 ASP HB3 . 17306 1 326 . 1 1 34 34 ASP C C 13 177.629 0.3 . 1 . . . . 34 ASP C . 17306 1 327 . 1 1 34 34 ASP CA C 13 53.676 0.3 . 1 . . . . 34 ASP CA . 17306 1 328 . 1 1 34 34 ASP CB C 13 40.570 0.3 . 1 . . . . 34 ASP CB . 17306 1 329 . 1 1 34 34 ASP N N 15 119.250 0.3 . 1 . . . . 34 ASP N . 17306 1 330 . 1 1 35 35 VAL H H 1 8.449 0.020 . 1 . . . . 35 VAL H . 17306 1 331 . 1 1 35 35 VAL HA H 1 3.575 0.020 . 1 . . . . 35 VAL HA . 17306 1 332 . 1 1 35 35 VAL HB H 1 1.931 0.020 . 1 . . . . 35 VAL HB . 17306 1 333 . 1 1 35 35 VAL HG11 H 1 0.867 0.020 . 1 . . . . 35 VAL HG1 . 17306 1 334 . 1 1 35 35 VAL HG12 H 1 0.867 0.020 . 1 . . . . 35 VAL HG1 . 17306 1 335 . 1 1 35 35 VAL HG13 H 1 0.867 0.020 . 1 . . . . 35 VAL HG1 . 17306 1 336 . 1 1 35 35 VAL HG21 H 1 0.867 0.020 . 1 . . . . 35 VAL HG2 . 17306 1 337 . 1 1 35 35 VAL HG22 H 1 0.867 0.020 . 1 . . . . 35 VAL HG2 . 17306 1 338 . 1 1 35 35 VAL HG23 H 1 0.867 0.020 . 1 . . . . 35 VAL HG2 . 17306 1 339 . 1 1 35 35 VAL C C 13 176.201 0.3 . 1 . . . . 35 VAL C . 17306 1 340 . 1 1 35 35 VAL CA C 13 63.445 0.3 . 1 . . . . 35 VAL CA . 17306 1 341 . 1 1 35 35 VAL CB C 13 31.910 0.3 . 1 . . . . 35 VAL CB . 17306 1 342 . 1 1 35 35 VAL CG1 C 13 21.687 0.3 . 1 . . . . 35 VAL CG1 . 17306 1 343 . 1 1 35 35 VAL CG2 C 13 20.102 0.3 . 1 . . . . 35 VAL CG2 . 17306 1 344 . 1 1 35 35 VAL N N 15 127.811 0.3 . 1 . . . . 35 VAL N . 17306 1 345 . 1 1 36 36 ASN H H 1 8.134 0.020 . 1 . . . . 36 ASN H . 17306 1 346 . 1 1 36 36 ASN HA H 1 5.079 0.020 . 1 . . . . 36 ASN HA . 17306 1 347 . 1 1 36 36 ASN HB2 H 1 3.059 0.020 . 2 . . . . 36 ASN HB2 . 17306 1 348 . 1 1 36 36 ASN HB3 H 1 2.608 0.020 . 2 . . . . 36 ASN HB3 . 17306 1 349 . 1 1 36 36 ASN C C 13 174.129 0.3 . 1 . . . . 36 ASN C . 17306 1 350 . 1 1 36 36 ASN CA C 13 52.116 0.3 . 1 . . . . 36 ASN CA . 17306 1 351 . 1 1 36 36 ASN CB C 13 39.704 0.3 . 1 . . . . 36 ASN CB . 17306 1 352 . 1 1 36 36 ASN N N 15 116.239 0.3 . 1 . . . . 36 ASN N . 17306 1 353 . 1 1 37 37 ALA H H 1 6.702 0.020 . 1 . . . . 37 ALA H . 17306 1 354 . 1 1 37 37 ALA HA H 1 4.069 0.020 . 1 . . . . 37 ALA HA . 17306 1 355 . 1 1 37 37 ALA HB1 H 1 1.458 0.020 . 1 . . . . 37 ALA HB . 17306 1 356 . 1 1 37 37 ALA HB2 H 1 1.458 0.020 . 1 . . . . 37 ALA HB . 17306 1 357 . 1 1 37 37 ALA HB3 H 1 1.458 0.020 . 1 . . . . 37 ALA HB . 17306 1 358 . 1 1 37 37 ALA C C 13 175.905 0.3 . 1 . . . . 37 ALA C . 17306 1 359 . 1 1 37 37 ALA CA C 13 52.982 0.3 . 1 . . . . 37 ALA CA . 17306 1 360 . 1 1 37 37 ALA CB C 13 19.787 0.3 . 1 . . . . 37 ALA CB . 17306 1 361 . 1 1 37 37 ALA N N 15 122.030 0.3 . 1 . . . . 37 ALA N . 17306 1 362 . 1 1 38 38 ARG H H 1 8.603 0.020 . 1 . . . . 38 ARG H . 17306 1 363 . 1 1 38 38 ARG HA H 1 4.929 0.020 . 1 . . . . 38 ARG HA . 17306 1 364 . 1 1 38 38 ARG HB2 H 1 1.856 0.020 . 1 . . . . 38 ARG HB2 . 17306 1 365 . 1 1 38 38 ARG HB3 H 1 1.856 0.020 . 1 . . . . 38 ARG HB3 . 17306 1 366 . 1 1 38 38 ARG HG2 H 1 1.737 0.020 . 1 . . . . 38 ARG HG2 . 17306 1 367 . 1 1 38 38 ARG HG3 H 1 1.737 0.020 . 1 . . . . 38 ARG HG3 . 17306 1 368 . 1 1 38 38 ARG HD2 H 1 3.081 0.020 . 1 . . . . 38 ARG HD2 . 17306 1 369 . 1 1 38 38 ARG HD3 H 1 3.081 0.020 . 1 . . . . 38 ARG HD3 . 17306 1 370 . 1 1 38 38 ARG C C 13 177.745 0.3 . 1 . . . . 38 ARG C . 17306 1 371 . 1 1 38 38 ARG CA C 13 53.559 0.3 . 1 . . . . 38 ARG CA . 17306 1 372 . 1 1 38 38 ARG CB C 13 32.993 0.3 . 1 . . . . 38 ARG CB . 17306 1 373 . 1 1 38 38 ARG CG C 13 27.165 0.3 . 1 . . . . 38 ARG CG . 17306 1 374 . 1 1 38 38 ARG CD C 13 43.452 0.3 . 1 . . . . 38 ARG CD . 17306 1 375 . 1 1 38 38 ARG N N 15 118.581 0.3 . 1 . . . . 38 ARG N . 17306 1 376 . 1 1 39 39 SER H H 1 8.597 0.020 . 1 . . . . 39 SER H . 17306 1 377 . 1 1 39 39 SER HA H 1 4.424 0.020 . 1 . . . . 39 SER HA . 17306 1 378 . 1 1 39 39 SER HB2 H 1 4.166 0.020 . 2 . . . . 39 SER HB2 . 17306 1 379 . 1 1 39 39 SER HB3 H 1 2.941 0.020 . 2 . . . . 39 SER HB3 . 17306 1 380 . 1 1 39 39 SER C C 13 176.587 0.3 . 1 . . . . 39 SER C . 17306 1 381 . 1 1 39 39 SER CA C 13 56.879 0.3 . 1 . . . . 39 SER CA . 17306 1 382 . 1 1 39 39 SER CB C 13 63.878 0.3 . 1 . . . . 39 SER CB . 17306 1 383 . 1 1 39 39 SER N N 15 118.340 0.3 . 1 . . . . 39 SER N . 17306 1 384 . 1 1 40 40 LYS H H 1 8.404 0.020 . 1 . . . . 40 LYS H . 17306 1 385 . 1 1 40 40 LYS HA H 1 3.908 0.020 . 1 . . . . 40 LYS HA . 17306 1 386 . 1 1 40 40 LYS HB2 H 1 1.630 0.020 . 1 . . . . 40 LYS HB2 . 17306 1 387 . 1 1 40 40 LYS HB3 H 1 1.630 0.020 . 1 . . . . 40 LYS HB3 . 17306 1 388 . 1 1 40 40 LYS HG2 H 1 1.243 0.020 . 1 . . . . 40 LYS HG2 . 17306 1 389 . 1 1 40 40 LYS HG3 H 1 1.243 0.020 . 1 . . . . 40 LYS HG3 . 17306 1 390 . 1 1 40 40 LYS HD2 H 1 1.426 0.020 . 1 . . . . 40 LYS HD2 . 17306 1 391 . 1 1 40 40 LYS HD3 H 1 1.426 0.020 . 1 . . . . 40 LYS HD3 . 17306 1 392 . 1 1 40 40 LYS HE2 H 1 2.844 0.020 . 1 . . . . 40 LYS HE2 . 17306 1 393 . 1 1 40 40 LYS HE3 H 1 2.844 0.020 . 1 . . . . 40 LYS HE3 . 17306 1 394 . 1 1 40 40 LYS C C 13 177.153 0.3 . 1 . . . . 40 LYS C . 17306 1 395 . 1 1 40 40 LYS CA C 13 59.932 0.3 . 1 . . . . 40 LYS CA . 17306 1 396 . 1 1 40 40 LYS CB C 13 31.745 0.3 . 1 . . . . 40 LYS CB . 17306 1 397 . 1 1 40 40 LYS CG C 13 25.003 0.3 . 1 . . . . 40 LYS CG . 17306 1 398 . 1 1 40 40 LYS CD C 13 29.183 0.3 . 1 . . . . 40 LYS CD . 17306 1 399 . 1 1 40 40 LYS CE C 13 42.011 0.3 . 1 . . . . 40 LYS CE . 17306 1 400 . 1 1 40 40 LYS N N 15 122.093 0.3 . 1 . . . . 40 LYS N . 17306 1 401 . 1 1 41 41 ASP H H 1 7.937 0.020 . 1 . . . . 41 ASP H . 17306 1 402 . 1 1 41 41 ASP HA H 1 4.563 0.020 . 1 . . . . 41 ASP HA . 17306 1 403 . 1 1 41 41 ASP HB2 H 1 2.726 0.020 . 2 . . . . 41 ASP HB2 . 17306 1 404 . 1 1 41 41 ASP HB3 H 1 2.672 0.020 . 2 . . . . 41 ASP HB3 . 17306 1 405 . 1 1 41 41 ASP C C 13 177.462 0.3 . 1 . . . . 41 ASP C . 17306 1 406 . 1 1 41 41 ASP CA C 13 53.102 0.3 . 1 . . . . 41 ASP CA . 17306 1 407 . 1 1 41 41 ASP CB C 13 40.003 0.3 . 1 . . . . 41 ASP CB . 17306 1 408 . 1 1 41 41 ASP N N 15 115.280 0.3 . 1 . . . . 41 ASP N . 17306 1 409 . 1 1 42 42 GLY H H 1 8.227 0.020 . 1 . . . . 42 GLY H . 17306 1 410 . 1 1 42 42 GLY HA2 H 1 4.091 0.020 . 2 . . . . 42 GLY HA2 . 17306 1 411 . 1 1 42 42 GLY HA3 H 1 3.672 0.020 . 2 . . . . 42 GLY HA3 . 17306 1 412 . 1 1 42 42 GLY C C 13 172.945 0.3 . 1 . . . . 42 GLY C . 17306 1 413 . 1 1 42 42 GLY CA C 13 45.652 0.3 . 1 . . . . 42 GLY CA . 17306 1 414 . 1 1 42 42 GLY N N 15 108.222 0.3 . 1 . . . . 42 GLY N . 17306 1 415 . 1 1 43 43 ASN H H 1 7.692 0.020 . 1 . . . . 43 ASN H . 17306 1 416 . 1 1 43 43 ASN HA H 1 4.177 0.020 . 1 . . . . 43 ASN HA . 17306 1 417 . 1 1 43 43 ASN HB2 H 1 2.898 0.020 . 2 . . . . 43 ASN HB2 . 17306 1 418 . 1 1 43 43 ASN HB3 H 1 2.307 0.020 . 2 . . . . 43 ASN HB3 . 17306 1 419 . 1 1 43 43 ASN C C 13 177.140 0.3 . 1 . . . . 43 ASN C . 17306 1 420 . 1 1 43 43 ASN CA C 13 54.158 0.3 . 1 . . . . 43 ASN CA . 17306 1 421 . 1 1 43 43 ASN CB C 13 39.320 0.3 . 1 . . . . 43 ASN CB . 17306 1 422 . 1 1 43 43 ASN N N 15 117.523 0.3 . 1 . . . . 43 ASN N . 17306 1 423 . 1 1 44 44 THR H H 1 9.949 0.020 . 1 . . . . 44 THR H . 17306 1 424 . 1 1 44 44 THR CA C 13 59.683 0.3 . 1 . . . . 44 THR CA . 17306 1 425 . 1 1 44 44 THR CB C 13 69.741 0.3 . 1 . . . . 44 THR CB . 17306 1 426 . 1 1 44 44 THR N N 15 119.136 0.3 . 1 . . . . 44 THR N . 17306 1 427 . 1 1 45 45 PRO HA H 1 3.886 0.020 . 1 . . . . 45 PRO HA . 17306 1 428 . 1 1 45 45 PRO HB2 H 1 1.834 0.020 . 2 . . . . 45 PRO HB2 . 17306 1 429 . 1 1 45 45 PRO HB3 H 1 1.684 0.020 . 2 . . . . 45 PRO HB3 . 17306 1 430 . 1 1 45 45 PRO C C 13 176.819 0.3 . 1 . . . . 45 PRO C . 17306 1 431 . 1 1 45 45 PRO CA C 13 66.016 0.3 . 1 . . . . 45 PRO CA . 17306 1 432 . 1 1 45 45 PRO CB C 13 31.311 0.3 . 1 . . . . 45 PRO CB . 17306 1 433 . 1 1 45 45 PRO CG C 13 27.237 0.3 . 1 . . . . 45 PRO CG . 17306 1 434 . 1 1 45 45 PRO CD C 13 49.362 0.3 . 1 . . . . 45 PRO CD . 17306 1 435 . 1 1 46 46 LEU H H 1 8.776 0.020 . 1 . . . . 46 LEU H . 17306 1 436 . 1 1 46 46 LEU HA H 1 3.822 0.020 . 1 . . . . 46 LEU HA . 17306 1 437 . 1 1 46 46 LEU HB2 H 1 1.705 0.020 . 2 . . . . 46 LEU HB2 . 17306 1 438 . 1 1 46 46 LEU HB3 H 1 1.458 0.020 . 2 . . . . 46 LEU HB3 . 17306 1 439 . 1 1 46 46 LEU HG H 1 1.356 0.020 . 1 . . . . 46 LEU HG . 17306 1 440 . 1 1 46 46 LEU HD11 H 1 0.888 0.020 . 1 . . . . 46 LEU HD1 . 17306 1 441 . 1 1 46 46 LEU HD12 H 1 0.888 0.020 . 1 . . . . 46 LEU HD1 . 17306 1 442 . 1 1 46 46 LEU HD13 H 1 0.888 0.020 . 1 . . . . 46 LEU HD1 . 17306 1 443 . 1 1 46 46 LEU HD21 H 1 0.673 0.020 . 1 . . . . 46 LEU HD2 . 17306 1 444 . 1 1 46 46 LEU HD22 H 1 0.673 0.020 . 1 . . . . 46 LEU HD2 . 17306 1 445 . 1 1 46 46 LEU HD23 H 1 0.673 0.020 . 1 . . . . 46 LEU HD2 . 17306 1 446 . 1 1 46 46 LEU C C 13 178.697 0.3 . 1 . . . . 46 LEU C . 17306 1 447 . 1 1 46 46 LEU CA C 13 57.817 0.3 . 1 . . . . 46 LEU CA . 17306 1 448 . 1 1 46 46 LEU CB C 13 41.003 0.3 . 1 . . . . 46 LEU CB . 17306 1 449 . 1 1 46 46 LEU CG C 13 26.372 0.3 . 1 . . . . 46 LEU CG . 17306 1 450 . 1 1 46 46 LEU CD1 C 13 25.147 0.3 . 1 . . . . 46 LEU CD1 . 17306 1 451 . 1 1 46 46 LEU CD2 C 13 25.147 0.3 . 1 . . . . 46 LEU CD2 . 17306 1 452 . 1 1 46 46 LEU N N 15 116.503 0.3 . 1 . . . . 46 LEU N . 17306 1 453 . 1 1 47 47 HIS H H 1 7.777 0.020 . 1 . . . . 47 HIS H . 17306 1 454 . 1 1 47 47 HIS HA H 1 3.650 0.020 . 1 . . . . 47 HIS HA . 17306 1 455 . 1 1 47 47 HIS HB2 H 1 3.005 0.020 . 1 . . . . 47 HIS HB2 . 17306 1 456 . 1 1 47 47 HIS HB3 H 1 3.005 0.020 . 1 . . . . 47 HIS HB3 . 17306 1 457 . 1 1 47 47 HIS C C 13 177.127 0.3 . 1 . . . . 47 HIS C . 17306 1 458 . 1 1 47 47 HIS CA C 13 64.095 0.3 . 1 . . . . 47 HIS CA . 17306 1 459 . 1 1 47 47 HIS CB C 13 31.261 0.3 . 1 . . . . 47 HIS CB . 17306 1 460 . 1 1 47 47 HIS N N 15 116.357 0.3 . 1 . . . . 47 HIS N . 17306 1 461 . 1 1 48 48 LEU H H 1 7.118 0.020 . 1 . . . . 48 LEU H . 17306 1 462 . 1 1 48 48 LEU HA H 1 3.962 0.020 . 1 . . . . 48 LEU HA . 17306 1 463 . 1 1 48 48 LEU HB2 H 1 1.974 0.020 . 2 . . . . 48 LEU HB2 . 17306 1 464 . 1 1 48 48 LEU HB3 H 1 1.254 0.020 . 2 . . . . 48 LEU HB3 . 17306 1 465 . 1 1 48 48 LEU HG H 1 1.165 0.020 . 1 . . . . 48 LEU HG . 17306 1 466 . 1 1 48 48 LEU HD11 H 1 0.845 0.020 . 1 . . . . 48 LEU HD1 . 17306 1 467 . 1 1 48 48 LEU HD12 H 1 0.845 0.020 . 1 . . . . 48 LEU HD1 . 17306 1 468 . 1 1 48 48 LEU HD13 H 1 0.845 0.020 . 1 . . . . 48 LEU HD1 . 17306 1 469 . 1 1 48 48 LEU HD21 H 1 0.845 0.020 . 1 . . . . 48 LEU HD2 . 17306 1 470 . 1 1 48 48 LEU HD22 H 1 0.845 0.020 . 1 . . . . 48 LEU HD2 . 17306 1 471 . 1 1 48 48 LEU HD23 H 1 0.845 0.020 . 1 . . . . 48 LEU HD2 . 17306 1 472 . 1 1 48 48 LEU C C 13 178.749 0.3 . 1 . . . . 48 LEU C . 17306 1 473 . 1 1 48 48 LEU CA C 13 57.095 0.3 . 1 . . . . 48 LEU CA . 17306 1 474 . 1 1 48 48 LEU CB C 13 41.003 0.3 . 1 . . . . 48 LEU CB . 17306 1 475 . 1 1 48 48 LEU CG C 13 26.876 0.3 . 1 . . . . 48 LEU CG . 17306 1 476 . 1 1 48 48 LEU CD1 C 13 24.282 0.3 . 1 . . . . 48 LEU CD1 . 17306 1 477 . 1 1 48 48 LEU CD2 C 13 21.615 0.3 . 1 . . . . 48 LEU CD2 . 17306 1 478 . 1 1 48 48 LEU N N 15 114.412 0.3 . 1 . . . . 48 LEU N . 17306 1 479 . 1 1 49 49 ALA H H 1 8.307 0.020 . 1 . . . . 49 ALA H . 17306 1 480 . 1 1 49 49 ALA HA H 1 4.134 0.020 . 1 . . . . 49 ALA HA . 17306 1 481 . 1 1 49 49 ALA HB1 H 1 1.361 0.020 . 1 . . . . 49 ALA HB . 17306 1 482 . 1 1 49 49 ALA HB2 H 1 1.361 0.020 . 1 . . . . 49 ALA HB . 17306 1 483 . 1 1 49 49 ALA HB3 H 1 1.361 0.020 . 1 . . . . 49 ALA HB . 17306 1 484 . 1 1 49 49 ALA C C 13 178.208 0.3 . 1 . . . . 49 ALA C . 17306 1 485 . 1 1 49 49 ALA CA C 13 54.642 0.3 . 1 . . . . 49 ALA CA . 17306 1 486 . 1 1 49 49 ALA CB C 13 19.066 0.3 . 1 . . . . 49 ALA CB . 17306 1 487 . 1 1 49 49 ALA N N 15 120.972 0.3 . 1 . . . . 49 ALA N . 17306 1 488 . 1 1 50 50 ALA H H 1 8.139 0.020 . 1 . . . . 50 ALA H . 17306 1 489 . 1 1 50 50 ALA HA H 1 3.822 0.020 . 1 . . . . 50 ALA HA . 17306 1 490 . 1 1 50 50 ALA HB1 H 1 1.329 0.020 . 1 . . . . 50 ALA HB . 17306 1 491 . 1 1 50 50 ALA HB2 H 1 1.329 0.020 . 1 . . . . 50 ALA HB . 17306 1 492 . 1 1 50 50 ALA HB3 H 1 1.329 0.020 . 1 . . . . 50 ALA HB . 17306 1 493 . 1 1 50 50 ALA C C 13 178.453 0.3 . 1 . . . . 50 ALA C . 17306 1 494 . 1 1 50 50 ALA CA C 13 54.901 0.3 . 1 . . . . 50 ALA CA . 17306 1 495 . 1 1 50 50 ALA CB C 13 19.011 0.3 . 1 . . . . 50 ALA CB . 17306 1 496 . 1 1 50 50 ALA N N 15 118.170 0.3 . 1 . . . . 50 ALA N . 17306 1 497 . 1 1 51 51 LYS H H 1 8.218 0.020 . 1 . . . . 51 LYS H . 17306 1 498 . 1 1 51 51 LYS HA H 1 3.596 0.020 . 1 . . . . 51 LYS HA . 17306 1 499 . 1 1 51 51 LYS HB2 H 1 2.060 0.020 . 2 . . . . 51 LYS HB2 . 17306 1 500 . 1 1 51 51 LYS HB3 H 1 1.834 0.020 . 2 . . . . 51 LYS HB3 . 17306 1 501 . 1 1 51 51 LYS HG2 H 1 1.350 0.020 . 1 . . . . 51 LYS HG2 . 17306 1 502 . 1 1 51 51 LYS HG3 H 1 1.350 0.020 . 1 . . . . 51 LYS HG3 . 17306 1 503 . 1 1 51 51 LYS HD2 H 1 1.576 0.020 . 1 . . . . 51 LYS HD2 . 17306 1 504 . 1 1 51 51 LYS HD3 H 1 1.576 0.020 . 1 . . . . 51 LYS HD3 . 17306 1 505 . 1 1 51 51 LYS HE2 H 1 2.962 0.020 . 1 . . . . 51 LYS HE2 . 17306 1 506 . 1 1 51 51 LYS HE3 H 1 2.962 0.020 . 1 . . . . 51 LYS HE3 . 17306 1 507 . 1 1 51 51 LYS C C 13 176.909 0.3 . 1 . . . . 51 LYS C . 17306 1 508 . 1 1 51 51 LYS CA C 13 59.044 0.3 . 1 . . . . 51 LYS CA . 17306 1 509 . 1 1 51 51 LYS CB C 13 33.282 0.3 . 1 . . . . 51 LYS CB . 17306 1 510 . 1 1 51 51 LYS CG C 13 23.994 0.3 . 1 . . . . 51 LYS CG . 17306 1 511 . 1 1 51 51 LYS CD C 13 29.759 0.3 . 1 . . . . 51 LYS CD . 17306 1 512 . 1 1 51 51 LYS CE C 13 41.723 0.3 . 1 . . . . 51 LYS CE . 17306 1 513 . 1 1 51 51 LYS N N 15 115.812 0.3 . 1 . . . . 51 LYS N . 17306 1 514 . 1 1 52 52 ASN H H 1 7.045 0.020 . 1 . . . . 52 ASN H . 17306 1 515 . 1 1 52 52 ASN HA H 1 4.746 0.020 . 1 . . . . 52 ASN HA . 17306 1 516 . 1 1 52 52 ASN HB2 H 1 2.747 0.020 . 2 . . . . 52 ASN HB2 . 17306 1 517 . 1 1 52 52 ASN HB3 H 1 2.608 0.020 . 2 . . . . 52 ASN HB3 . 17306 1 518 . 1 1 52 52 ASN C C 13 174.567 0.3 . 1 . . . . 52 ASN C . 17306 1 519 . 1 1 52 52 ASN CA C 13 52.260 0.3 . 1 . . . . 52 ASN CA . 17306 1 520 . 1 1 52 52 ASN CB C 13 38.694 0.3 . 1 . . . . 52 ASN CB . 17306 1 521 . 1 1 52 52 ASN N N 15 110.792 0.3 . 1 . . . . 52 ASN N . 17306 1 522 . 1 1 53 53 GLY H H 1 6.942 0.020 . 1 . . . . 53 GLY H . 17306 1 523 . 1 1 53 53 GLY HA2 H 1 2.747 0.020 . 1 . . . . 53 GLY HA2 . 17306 1 524 . 1 1 53 53 GLY C C 13 174.232 0.3 . 1 . . . . 53 GLY C . 17306 1 525 . 1 1 53 53 GLY CA C 13 44.322 0.3 . 1 . . . . 53 GLY CA . 17306 1 526 . 1 1 53 53 GLY N N 15 107.148 0.3 . 1 . . . . 53 GLY N . 17306 1 527 . 1 1 54 54 HIS H H 1 7.803 0.020 . 1 . . . . 54 HIS H . 17306 1 528 . 1 1 54 54 HIS HA H 1 5.122 0.020 . 1 . . . . 54 HIS HA . 17306 1 529 . 1 1 54 54 HIS HB2 H 1 3.166 0.020 . 2 . . . . 54 HIS HB2 . 17306 1 530 . 1 1 54 54 HIS HB3 H 1 2.909 0.020 . 2 . . . . 54 HIS HB3 . 17306 1 531 . 1 1 54 54 HIS C C 13 175.429 0.3 . 1 . . . . 54 HIS C . 17306 1 532 . 1 1 54 54 HIS CA C 13 53.704 0.3 . 1 . . . . 54 HIS CA . 17306 1 533 . 1 1 54 54 HIS CB C 13 29.601 0.3 . 1 . . . . 54 HIS CB . 17306 1 534 . 1 1 54 54 HIS N N 15 119.729 0.3 . 1 . . . . 54 HIS N . 17306 1 535 . 1 1 55 55 ALA H H 1 8.202 0.020 . 1 . . . . 55 ALA H . 17306 1 536 . 1 1 55 55 ALA HA H 1 3.510 0.020 . 1 . . . . 55 ALA HA . 17306 1 537 . 1 1 55 55 ALA HB1 H 1 1.350 0.020 . 1 . . . . 55 ALA HB . 17306 1 538 . 1 1 55 55 ALA HB2 H 1 1.350 0.020 . 1 . . . . 55 ALA HB . 17306 1 539 . 1 1 55 55 ALA HB3 H 1 1.350 0.020 . 1 . . . . 55 ALA HB . 17306 1 540 . 1 1 55 55 ALA C C 13 178.646 0.3 . 1 . . . . 55 ALA C . 17306 1 541 . 1 1 55 55 ALA CA C 13 56.301 0.3 . 1 . . . . 55 ALA CA . 17306 1 542 . 1 1 55 55 ALA CB C 13 18.344 0.3 . 1 . . . . 55 ALA CB . 17306 1 543 . 1 1 55 55 ALA N N 15 129.202 0.3 . 1 . . . . 55 ALA N . 17306 1 544 . 1 1 56 56 GLU H H 1 8.966 0.020 . 1 . . . . 56 GLU H . 17306 1 545 . 1 1 56 56 GLU HA H 1 3.951 0.020 . 1 . . . . 56 GLU HA . 17306 1 546 . 1 1 56 56 GLU HB2 H 1 2.027 0.020 . 1 . . . . 56 GLU HB2 . 17306 1 547 . 1 1 56 56 GLU HB3 H 1 2.027 0.020 . 1 . . . . 56 GLU HB3 . 17306 1 548 . 1 1 56 56 GLU HG2 H 1 2.264 0.020 . 1 . . . . 56 GLU HG2 . 17306 1 549 . 1 1 56 56 GLU HG3 H 1 2.264 0.020 . 1 . . . . 56 GLU HG3 . 17306 1 550 . 1 1 56 56 GLU C C 13 179.418 0.3 . 1 . . . . 56 GLU C . 17306 1 551 . 1 1 56 56 GLU CA C 13 59.116 0.3 . 1 . . . . 56 GLU CA . 17306 1 552 . 1 1 56 56 GLU CB C 13 28.375 0.3 . 1 . . . . 56 GLU CB . 17306 1 553 . 1 1 56 56 GLU CG C 13 35.669 0.3 . 1 . . . . 56 GLU CG . 17306 1 554 . 1 1 56 56 GLU N N 15 116.490 0.3 . 1 . . . . 56 GLU N . 17306 1 555 . 1 1 57 57 ILE H H 1 7.225 0.020 . 1 . . . . 57 ILE H . 17306 1 556 . 1 1 57 57 ILE HA H 1 3.607 0.020 . 1 . . . . 57 ILE HA . 17306 1 557 . 1 1 57 57 ILE HB H 1 2.060 0.020 . 1 . . . . 57 ILE HB . 17306 1 558 . 1 1 57 57 ILE HG12 H 1 1.619 0.020 . 2 . . . . 57 ILE HG12 . 17306 1 559 . 1 1 57 57 ILE HG13 H 1 1.060 0.020 . 2 . . . . 57 ILE HG13 . 17306 1 560 . 1 1 57 57 ILE HG21 H 1 0.856 0.020 . 1 . . . . 57 ILE HG2 . 17306 1 561 . 1 1 57 57 ILE HG22 H 1 0.856 0.020 . 1 . . . . 57 ILE HG2 . 17306 1 562 . 1 1 57 57 ILE HG23 H 1 0.856 0.020 . 1 . . . . 57 ILE HG2 . 17306 1 563 . 1 1 57 57 ILE HD11 H 1 0.630 0.020 . 1 . . . . 57 ILE HD1 . 17306 1 564 . 1 1 57 57 ILE HD12 H 1 0.630 0.020 . 1 . . . . 57 ILE HD1 . 17306 1 565 . 1 1 57 57 ILE HD13 H 1 0.630 0.020 . 1 . . . . 57 ILE HD1 . 17306 1 566 . 1 1 57 57 ILE C C 13 177.166 0.3 . 1 . . . . 57 ILE C . 17306 1 567 . 1 1 57 57 ILE CA C 13 63.806 0.3 . 1 . . . . 57 ILE CA . 17306 1 568 . 1 1 57 57 ILE CB C 13 36.312 0.3 . 1 . . . . 57 ILE CB . 17306 1 569 . 1 1 57 57 ILE CG1 C 13 29.615 0.3 . 1 . . . . 57 ILE CG1 . 17306 1 570 . 1 1 57 57 ILE CG2 C 13 18.949 0.3 . 1 . . . . 57 ILE CG2 . 17306 1 571 . 1 1 57 57 ILE CD1 C 13 11.998 0.3 . 1 . . . . 57 ILE CD1 . 17306 1 572 . 1 1 57 57 ILE N N 15 117.258 0.3 . 1 . . . . 57 ILE N . 17306 1 573 . 1 1 58 58 VAL H H 1 8.046 0.020 . 1 . . . . 58 VAL H . 17306 1 574 . 1 1 58 58 VAL HA H 1 3.231 0.020 . 1 . . . . 58 VAL HA . 17306 1 575 . 1 1 58 58 VAL HB H 1 2.328 0.020 . 1 . . . . 58 VAL HB . 17306 1 576 . 1 1 58 58 VAL HG11 H 1 0.792 0.020 . 1 . . . . 58 VAL HG1 . 17306 1 577 . 1 1 58 58 VAL HG12 H 1 0.792 0.020 . 1 . . . . 58 VAL HG1 . 17306 1 578 . 1 1 58 58 VAL HG13 H 1 0.792 0.020 . 1 . . . . 58 VAL HG1 . 17306 1 579 . 1 1 58 58 VAL HG21 H 1 0.792 0.020 . 1 . . . . 58 VAL HG2 . 17306 1 580 . 1 1 58 58 VAL HG22 H 1 0.792 0.020 . 1 . . . . 58 VAL HG2 . 17306 1 581 . 1 1 58 58 VAL HG23 H 1 0.792 0.020 . 1 . . . . 58 VAL HG2 . 17306 1 582 . 1 1 58 58 VAL C C 13 176.754 0.3 . 1 . . . . 58 VAL C . 17306 1 583 . 1 1 58 58 VAL CA C 13 67.775 0.3 . 1 . . . . 58 VAL CA . 17306 1 584 . 1 1 58 58 VAL CB C 13 30.395 0.3 . 1 . . . . 58 VAL CB . 17306 1 585 . 1 1 58 58 VAL CG1 C 13 22.696 0.3 . 1 . . . . 58 VAL CG1 . 17306 1 586 . 1 1 58 58 VAL CG2 C 13 21.255 0.3 . 1 . . . . 58 VAL CG2 . 17306 1 587 . 1 1 58 58 VAL N N 15 120.669 0.3 . 1 . . . . 58 VAL N . 17306 1 588 . 1 1 59 59 LYS H H 1 7.848 0.020 . 1 . . . . 59 LYS H . 17306 1 589 . 1 1 59 59 LYS HA H 1 3.790 0.020 . 1 . . . . 59 LYS HA . 17306 1 590 . 1 1 59 59 LYS HB2 H 1 1.856 0.020 . 1 . . . . 59 LYS HB2 . 17306 1 591 . 1 1 59 59 LYS HB3 H 1 1.856 0.020 . 1 . . . . 59 LYS HB3 . 17306 1 592 . 1 1 59 59 LYS HG2 H 1 1.393 0.020 . 1 . . . . 59 LYS HG2 . 17306 1 593 . 1 1 59 59 LYS HG3 H 1 1.393 0.020 . 1 . . . . 59 LYS HG3 . 17306 1 594 . 1 1 59 59 LYS HD2 H 1 1.608 0.020 . 1 . . . . 59 LYS HD2 . 17306 1 595 . 1 1 59 59 LYS HD3 H 1 1.608 0.020 . 1 . . . . 59 LYS HD3 . 17306 1 596 . 1 1 59 59 LYS HE2 H 1 2.758 0.020 . 1 . . . . 59 LYS HE2 . 17306 1 597 . 1 1 59 59 LYS HE3 H 1 2.758 0.020 . 1 . . . . 59 LYS HE3 . 17306 1 598 . 1 1 59 59 LYS C C 13 179.405 0.3 . 1 . . . . 59 LYS C . 17306 1 599 . 1 1 59 59 LYS CA C 13 60.559 0.3 . 1 . . . . 59 LYS CA . 17306 1 600 . 1 1 59 59 LYS CB C 13 32.488 0.3 . 1 . . . . 59 LYS CB . 17306 1 601 . 1 1 59 59 LYS CG C 13 26.012 0.3 . 1 . . . . 59 LYS CG . 17306 1 602 . 1 1 59 59 LYS CD C 13 29.687 0.3 . 1 . . . . 59 LYS CD . 17306 1 603 . 1 1 59 59 LYS CE C 13 42.011 0.3 . 1 . . . . 59 LYS CE . 17306 1 604 . 1 1 59 59 LYS N N 15 116.828 0.3 . 1 . . . . 59 LYS N . 17306 1 605 . 1 1 60 60 LEU H H 1 7.634 0.020 . 1 . . . . 60 LEU H . 17306 1 606 . 1 1 60 60 LEU HA H 1 4.015 0.020 . 1 . . . . 60 LEU HA . 17306 1 607 . 1 1 60 60 LEU HB2 H 1 1.877 0.020 . 2 . . . . 60 LEU HB2 . 17306 1 608 . 1 1 60 60 LEU HB3 H 1 1.264 0.020 . 2 . . . . 60 LEU HB3 . 17306 1 609 . 1 1 60 60 LEU HG H 1 1.264 0.020 . 1 . . . . 60 LEU HG . 17306 1 610 . 1 1 60 60 LEU HD11 H 1 0.781 0.020 . 1 . . . . 60 LEU HD1 . 17306 1 611 . 1 1 60 60 LEU HD12 H 1 0.781 0.020 . 1 . . . . 60 LEU HD1 . 17306 1 612 . 1 1 60 60 LEU HD13 H 1 0.781 0.020 . 1 . . . . 60 LEU HD1 . 17306 1 613 . 1 1 60 60 LEU HD21 H 1 0.781 0.020 . 1 . . . . 60 LEU HD2 . 17306 1 614 . 1 1 60 60 LEU HD22 H 1 0.781 0.020 . 1 . . . . 60 LEU HD2 . 17306 1 615 . 1 1 60 60 LEU HD23 H 1 0.781 0.020 . 1 . . . . 60 LEU HD2 . 17306 1 616 . 1 1 60 60 LEU C C 13 179.109 0.3 . 1 . . . . 60 LEU C . 17306 1 617 . 1 1 60 60 LEU CA C 13 57.600 0.3 . 1 . . . . 60 LEU CA . 17306 1 618 . 1 1 60 60 LEU CB C 13 42.518 0.3 . 1 . . . . 60 LEU CB . 17306 1 619 . 1 1 60 60 LEU CG C 13 25.939 0.3 . 1 . . . . 60 LEU CG . 17306 1 620 . 1 1 60 60 LEU CD1 C 13 23.057 0.3 . 1 . . . . 60 LEU CD1 . 17306 1 621 . 1 1 60 60 LEU CD2 C 13 23.057 0.3 . 1 . . . . 60 LEU CD2 . 17306 1 622 . 1 1 60 60 LEU N N 15 119.781 0.3 . 1 . . . . 60 LEU N . 17306 1 623 . 1 1 61 61 LEU H H 1 8.328 0.020 . 1 . . . . 61 LEU H . 17306 1 624 . 1 1 61 61 LEU HA H 1 3.833 0.020 . 1 . . . . 61 LEU HA . 17306 1 625 . 1 1 61 61 LEU HB2 H 1 1.823 0.020 . 2 . . . . 61 LEU HB2 . 17306 1 626 . 1 1 61 61 LEU HB3 H 1 1.114 0.020 . 2 . . . . 61 LEU HB3 . 17306 1 627 . 1 1 61 61 LEU HG H 1 1.058 0.020 . 1 . . . . 61 LEU HG . 17306 1 628 . 1 1 61 61 LEU HD11 H 1 0.630 0.020 . 1 . . . . 61 LEU HD1 . 17306 1 629 . 1 1 61 61 LEU HD12 H 1 0.630 0.020 . 1 . . . . 61 LEU HD1 . 17306 1 630 . 1 1 61 61 LEU HD13 H 1 0.630 0.020 . 1 . . . . 61 LEU HD1 . 17306 1 631 . 1 1 61 61 LEU HD21 H 1 0.630 0.020 . 1 . . . . 61 LEU HD2 . 17306 1 632 . 1 1 61 61 LEU HD22 H 1 0.630 0.020 . 1 . . . . 61 LEU HD2 . 17306 1 633 . 1 1 61 61 LEU HD23 H 1 0.630 0.020 . 1 . . . . 61 LEU HD2 . 17306 1 634 . 1 1 61 61 LEU C C 13 179.958 0.3 . 1 . . . . 61 LEU C . 17306 1 635 . 1 1 61 61 LEU CA C 13 57.529 0.3 . 1 . . . . 61 LEU CA . 17306 1 636 . 1 1 61 61 LEU CB C 13 40.642 0.3 . 1 . . . . 61 LEU CB . 17306 1 637 . 1 1 61 61 LEU CG C 13 26.660 0.3 . 1 . . . . 61 LEU CG . 17306 1 638 . 1 1 61 61 LEU CD1 C 13 22.696 0.3 . 1 . . . . 61 LEU CD1 . 17306 1 639 . 1 1 61 61 LEU CD2 C 13 22.696 0.3 . 1 . . . . 61 LEU CD2 . 17306 1 640 . 1 1 61 61 LEU N N 15 116.645 0.3 . 1 . . . . 61 LEU N . 17306 1 641 . 1 1 62 62 LEU H H 1 8.700 0.020 . 1 . . . . 62 LEU H . 17306 1 642 . 1 1 62 62 LEU HA H 1 3.929 0.020 . 1 . . . . 62 LEU HA . 17306 1 643 . 1 1 62 62 LEU HB2 H 1 1.898 0.020 . 2 . . . . 62 LEU HB2 . 17306 1 644 . 1 1 62 62 LEU HB3 H 1 1.415 0.020 . 2 . . . . 62 LEU HB3 . 17306 1 645 . 1 1 62 62 LEU HG H 1 1.415 0.020 . 1 . . . . 62 LEU HG . 17306 1 646 . 1 1 62 62 LEU HD11 H 1 0.706 0.020 . 1 . . . . 62 LEU HD1 . 17306 1 647 . 1 1 62 62 LEU HD12 H 1 0.706 0.020 . 1 . . . . 62 LEU HD1 . 17306 1 648 . 1 1 62 62 LEU HD13 H 1 0.706 0.020 . 1 . . . . 62 LEU HD1 . 17306 1 649 . 1 1 62 62 LEU HD21 H 1 0.706 0.020 . 1 . . . . 62 LEU HD2 . 17306 1 650 . 1 1 62 62 LEU HD22 H 1 0.706 0.020 . 1 . . . . 62 LEU HD2 . 17306 1 651 . 1 1 62 62 LEU HD23 H 1 0.706 0.020 . 1 . . . . 62 LEU HD2 . 17306 1 652 . 1 1 62 62 LEU C C 13 180.718 0.3 . 1 . . . . 62 LEU C . 17306 1 653 . 1 1 62 62 LEU CA C 13 58.033 0.3 . 1 . . . . 62 LEU CA . 17306 1 654 . 1 1 62 62 LEU CB C 13 41.364 0.3 . 1 . . . . 62 LEU CB . 17306 1 655 . 1 1 62 62 LEU CG C 13 26.156 0.3 . 1 . . . . 62 LEU CG . 17306 1 656 . 1 1 62 62 LEU CD1 C 13 23.057 0.3 . 1 . . . . 62 LEU CD1 . 17306 1 657 . 1 1 62 62 LEU CD2 C 13 23.057 0.3 . 1 . . . . 62 LEU CD2 . 17306 1 658 . 1 1 62 62 LEU N N 15 119.768 0.3 . 1 . . . . 62 LEU N . 17306 1 659 . 1 1 63 63 ALA H H 1 7.736 0.020 . 1 . . . . 63 ALA H . 17306 1 660 . 1 1 63 63 ALA HA H 1 4.220 0.020 . 1 . . . . 63 ALA HA . 17306 1 661 . 1 1 63 63 ALA HB1 H 1 1.533 0.020 . 1 . . . . 63 ALA HB . 17306 1 662 . 1 1 63 63 ALA HB2 H 1 1.533 0.020 . 1 . . . . 63 ALA HB . 17306 1 663 . 1 1 63 63 ALA HB3 H 1 1.533 0.020 . 1 . . . . 63 ALA HB . 17306 1 664 . 1 1 63 63 ALA C C 13 178.363 0.3 . 1 . . . . 63 ALA C . 17306 1 665 . 1 1 63 63 ALA CA C 13 54.137 0.3 . 1 . . . . 63 ALA CA . 17306 1 666 . 1 1 63 63 ALA CB C 13 17.911 0.3 . 1 . . . . 63 ALA CB . 17306 1 667 . 1 1 63 63 ALA N N 15 120.872 0.3 . 1 . . . . 63 ALA N . 17306 1 668 . 1 1 64 64 LYS H H 1 7.210 0.020 . 1 . . . . 64 LYS H . 17306 1 669 . 1 1 64 64 LYS HA H 1 4.553 0.020 . 1 . . . . 64 LYS HA . 17306 1 670 . 1 1 64 64 LYS HB2 H 1 2.199 0.020 . 2 . . . . 64 LYS HB2 . 17306 1 671 . 1 1 64 64 LYS HB3 H 1 1.716 0.020 . 2 . . . . 64 LYS HB3 . 17306 1 672 . 1 1 64 64 LYS HD2 H 1 1.587 0.020 . 1 . . . . 64 LYS HD2 . 17306 1 673 . 1 1 64 64 LYS HD3 H 1 1.587 0.020 . 1 . . . . 64 LYS HD3 . 17306 1 674 . 1 1 64 64 LYS HE2 H 1 2.930 0.020 . 1 . . . . 64 LYS HE2 . 17306 1 675 . 1 1 64 64 LYS HE3 H 1 2.930 0.020 . 1 . . . . 64 LYS HE3 . 17306 1 676 . 1 1 64 64 LYS C C 13 175.956 0.3 . 1 . . . . 64 LYS C . 17306 1 677 . 1 1 64 64 LYS CA C 13 53.198 0.3 . 1 . . . . 64 LYS CA . 17306 1 678 . 1 1 64 64 LYS CB C 13 32.055 0.3 . 1 . . . . 64 LYS CB . 17306 1 679 . 1 1 64 64 LYS CG C 13 25.147 0.3 . 1 . . . . 64 LYS CG . 17306 1 680 . 1 1 64 64 LYS CD C 13 27.813 0.3 . 1 . . . . 64 LYS CD . 17306 1 681 . 1 1 64 64 LYS CE C 13 42.155 0.3 . 1 . . . . 64 LYS CE . 17306 1 682 . 1 1 64 64 LYS N N 15 116.463 0.3 . 1 . . . . 64 LYS N . 17306 1 683 . 1 1 65 65 GLY H H 1 7.577 0.020 . 1 . . . . 65 GLY H . 17306 1 684 . 1 1 65 65 GLY HA2 H 1 4.177 0.020 . 2 . . . . 65 GLY HA2 . 17306 1 685 . 1 1 65 65 GLY HA3 H 1 3.758 0.020 . 2 . . . . 65 GLY HA3 . 17306 1 686 . 1 1 65 65 GLY C C 13 175.493 0.3 . 1 . . . . 65 GLY C . 17306 1 687 . 1 1 65 65 GLY CA C 13 45.694 0.3 . 1 . . . . 65 GLY CA . 17306 1 688 . 1 1 65 65 GLY N N 15 104.585 0.3 . 1 . . . . 65 GLY N . 17306 1 689 . 1 1 66 66 ALA H H 1 7.854 0.020 . 1 . . . . 66 ALA H . 17306 1 690 . 1 1 66 66 ALA HA H 1 4.220 0.020 . 1 . . . . 66 ALA HA . 17306 1 691 . 1 1 66 66 ALA HB1 H 1 1.082 0.020 . 1 . . . . 66 ALA HB . 17306 1 692 . 1 1 66 66 ALA HB2 H 1 1.082 0.020 . 1 . . . . 66 ALA HB . 17306 1 693 . 1 1 66 66 ALA HB3 H 1 1.082 0.020 . 1 . . . . 66 ALA HB . 17306 1 694 . 1 1 66 66 ALA C C 13 176.420 0.3 . 1 . . . . 66 ALA C . 17306 1 695 . 1 1 66 66 ALA CA C 13 52.549 0.3 . 1 . . . . 66 ALA CA . 17306 1 696 . 1 1 66 66 ALA CB C 13 20.292 0.3 . 1 . . . . 66 ALA CB . 17306 1 697 . 1 1 66 66 ALA N N 15 122.635 0.3 . 1 . . . . 66 ALA N . 17306 1 698 . 1 1 67 67 ASP H H 1 8.777 0.020 . 1 . . . . 67 ASP H . 17306 1 699 . 1 1 67 67 ASP HA H 1 4.596 0.020 . 1 . . . . 67 ASP HA . 17306 1 700 . 1 1 67 67 ASP HB2 H 1 2.758 0.020 . 2 . . . . 67 ASP HB2 . 17306 1 701 . 1 1 67 67 ASP HB3 H 1 2.672 0.020 . 2 . . . . 67 ASP HB3 . 17306 1 702 . 1 1 67 67 ASP C C 13 177.951 0.3 . 1 . . . . 67 ASP C . 17306 1 703 . 1 1 67 67 ASP CA C 13 53.099 0.3 . 1 . . . . 67 ASP CA . 17306 1 704 . 1 1 67 67 ASP CB C 13 40.570 0.3 . 1 . . . . 67 ASP CB . 17306 1 705 . 1 1 67 67 ASP N N 15 120.970 0.3 . 1 . . . . 67 ASP N . 17306 1 706 . 1 1 68 68 VAL H H 1 8.420 0.020 . 1 . . . . 68 VAL H . 17306 1 707 . 1 1 68 68 VAL HA H 1 3.639 0.020 . 1 . . . . 68 VAL HA . 17306 1 708 . 1 1 68 68 VAL HB H 1 2.178 0.020 . 1 . . . . 68 VAL HB . 17306 1 709 . 1 1 68 68 VAL HG11 H 1 0.921 0.020 . 1 . . . . 68 VAL HG1 . 17306 1 710 . 1 1 68 68 VAL HG12 H 1 0.921 0.020 . 1 . . . . 68 VAL HG1 . 17306 1 711 . 1 1 68 68 VAL HG13 H 1 0.921 0.020 . 1 . . . . 68 VAL HG1 . 17306 1 712 . 1 1 68 68 VAL HG21 H 1 0.921 0.020 . 1 . . . . 68 VAL HG2 . 17306 1 713 . 1 1 68 68 VAL HG22 H 1 0.921 0.020 . 1 . . . . 68 VAL HG2 . 17306 1 714 . 1 1 68 68 VAL HG23 H 1 0.921 0.020 . 1 . . . . 68 VAL HG2 . 17306 1 715 . 1 1 68 68 VAL C C 13 175.146 0.3 . 1 . . . . 68 VAL C . 17306 1 716 . 1 1 68 68 VAL CA C 13 63.662 0.3 . 1 . . . . 68 VAL CA . 17306 1 717 . 1 1 68 68 VAL CB C 13 31.405 0.3 . 1 . . . . 68 VAL CB . 17306 1 718 . 1 1 68 68 VAL CG1 C 13 21.976 0.3 . 1 . . . . 68 VAL CG1 . 17306 1 719 . 1 1 68 68 VAL CG2 C 13 19.453 0.3 . 1 . . . . 68 VAL CG2 . 17306 1 720 . 1 1 68 68 VAL N N 15 124.182 0.3 . 1 . . . . 68 VAL N . 17306 1 721 . 1 1 69 69 ASN H H 1 8.300 0.020 . 1 . . . . 69 ASN H . 17306 1 722 . 1 1 69 69 ASN HA H 1 4.800 0.020 . 1 . . . . 69 ASN HA . 17306 1 723 . 1 1 69 69 ASN HB2 H 1 2.866 0.020 . 2 . . . . 69 ASN HB2 . 17306 1 724 . 1 1 69 69 ASN HB3 H 1 2.758 0.020 . 2 . . . . 69 ASN HB3 . 17306 1 725 . 1 1 69 69 ASN C C 13 174.644 0.3 . 1 . . . . 69 ASN C . 17306 1 726 . 1 1 69 69 ASN CA C 13 52.188 0.3 . 1 . . . . 69 ASN CA . 17306 1 727 . 1 1 69 69 ASN CB C 13 39.199 0.3 . 1 . . . . 69 ASN CB . 17306 1 728 . 1 1 69 69 ASN N N 15 115.896 0.3 . 1 . . . . 69 ASN N . 17306 1 729 . 1 1 70 70 ALA H H 1 6.666 0.020 . 1 . . . . 70 ALA H . 17306 1 730 . 1 1 70 70 ALA HA H 1 3.983 0.020 . 1 . . . . 70 ALA HA . 17306 1 731 . 1 1 70 70 ALA HB1 H 1 1.361 0.020 . 1 . . . . 70 ALA HB . 17306 1 732 . 1 1 70 70 ALA HB2 H 1 1.361 0.020 . 1 . . . . 70 ALA HB . 17306 1 733 . 1 1 70 70 ALA HB3 H 1 1.361 0.020 . 1 . . . . 70 ALA HB . 17306 1 734 . 1 1 70 70 ALA C C 13 175.635 0.3 . 1 . . . . 70 ALA C . 17306 1 735 . 1 1 70 70 ALA CA C 13 52.910 0.3 . 1 . . . . 70 ALA CA . 17306 1 736 . 1 1 70 70 ALA CB C 13 19.426 0.3 . 1 . . . . 70 ALA CB . 17306 1 737 . 1 1 70 70 ALA N N 15 123.184 0.3 . 1 . . . . 70 ALA N . 17306 1 738 . 1 1 71 71 ARG H H 1 8.767 0.020 . 1 . . . . 71 ARG H . 17306 1 739 . 1 1 71 71 ARG HA H 1 5.004 0.020 . 1 . . . . 71 ARG HA . 17306 1 740 . 1 1 71 71 ARG HB2 H 1 1.694 0.020 . 1 . . . . 71 ARG HB2 . 17306 1 741 . 1 1 71 71 ARG HB3 H 1 1.694 0.020 . 1 . . . . 71 ARG HB3 . 17306 1 742 . 1 1 71 71 ARG HG2 H 1 1.555 0.020 . 1 . . . . 71 ARG HG2 . 17306 1 743 . 1 1 71 71 ARG HG3 H 1 1.555 0.020 . 1 . . . . 71 ARG HG3 . 17306 1 744 . 1 1 71 71 ARG HD2 H 1 3.145 0.020 . 1 . . . . 71 ARG HD2 . 17306 1 745 . 1 1 71 71 ARG HD3 H 1 3.145 0.020 . 1 . . . . 71 ARG HD3 . 17306 1 746 . 1 1 71 71 ARG C C 13 177.771 0.3 . 1 . . . . 71 ARG C . 17306 1 747 . 1 1 71 71 ARG CA C 13 53.992 0.3 . 1 . . . . 71 ARG CA . 17306 1 748 . 1 1 71 71 ARG CB C 13 32.921 0.3 . 1 . . . . 71 ARG CB . 17306 1 749 . 1 1 71 71 ARG CG C 13 28.029 0.3 . 1 . . . . 71 ARG CG . 17306 1 750 . 1 1 71 71 ARG CD C 13 43.524 0.3 . 1 . . . . 71 ARG CD . 17306 1 751 . 1 1 71 71 ARG N N 15 120.467 0.3 . 1 . . . . 71 ARG N . 17306 1 752 . 1 1 72 72 SER H H 1 8.735 0.020 . 1 . . . . 72 SER H . 17306 1 753 . 1 1 72 72 SER HA H 1 4.306 0.020 . 1 . . . . 72 SER HA . 17306 1 754 . 1 1 72 72 SER HB2 H 1 4.080 0.020 . 2 . . . . 72 SER HB2 . 17306 1 755 . 1 1 72 72 SER HB3 H 1 3.091 0.020 . 2 . . . . 72 SER HB3 . 17306 1 756 . 1 1 72 72 SER C C 13 176.175 0.3 . 1 . . . . 72 SER C . 17306 1 757 . 1 1 72 72 SER CA C 13 57.240 0.3 . 1 . . . . 72 SER CA . 17306 1 758 . 1 1 72 72 SER CB C 13 63.590 0.3 . 1 . . . . 72 SER CB . 17306 1 759 . 1 1 72 72 SER N N 15 119.373 0.3 . 1 . . . . 72 SER N . 17306 1 760 . 1 1 73 73 LYS H H 1 8.435 0.020 . 1 . . . . 73 LYS H . 17306 1 761 . 1 1 73 73 LYS HA H 1 4.037 0.020 . 1 . . . . 73 LYS HA . 17306 1 762 . 1 1 73 73 LYS HB2 H 1 1.748 0.020 . 1 . . . . 73 LYS HB2 . 17306 1 763 . 1 1 73 73 LYS HB3 H 1 1.748 0.020 . 1 . . . . 73 LYS HB3 . 17306 1 764 . 1 1 73 73 LYS HG2 H 1 1.350 0.020 . 1 . . . . 73 LYS HG2 . 17306 1 765 . 1 1 73 73 LYS HG3 H 1 1.350 0.020 . 1 . . . . 73 LYS HG3 . 17306 1 766 . 1 1 73 73 LYS HD2 H 1 1.512 0.020 . 1 . . . . 73 LYS HD2 . 17306 1 767 . 1 1 73 73 LYS HD3 H 1 1.512 0.020 . 1 . . . . 73 LYS HD3 . 17306 1 768 . 1 1 73 73 LYS HE2 H 1 2.952 0.020 . 1 . . . . 73 LYS HE2 . 17306 1 769 . 1 1 73 73 LYS HE3 H 1 2.952 0.020 . 1 . . . . 73 LYS HE3 . 17306 1 770 . 1 1 73 73 LYS C C 13 177.346 0.3 . 1 . . . . 73 LYS C . 17306 1 771 . 1 1 73 73 LYS CA C 13 59.910 0.3 . 1 . . . . 73 LYS CA . 17306 1 772 . 1 1 73 73 LYS CB C 13 31.622 0.3 . 1 . . . . 73 LYS CB . 17306 1 773 . 1 1 73 73 LYS CG C 13 25.651 0.3 . 1 . . . . 73 LYS CG . 17306 1 774 . 1 1 73 73 LYS CD C 13 29.110 0.3 . 1 . . . . 73 LYS CD . 17306 1 775 . 1 1 73 73 LYS CE C 13 42.011 0.3 . 1 . . . . 73 LYS CE . 17306 1 776 . 1 1 73 73 LYS N N 15 121.660 0.3 . 1 . . . . 73 LYS N . 17306 1 777 . 1 1 74 74 ASP H H 1 8.010 0.020 . 1 . . . . 74 ASP H . 17306 1 778 . 1 1 74 74 ASP HA H 1 4.499 0.020 . 1 . . . . 74 ASP HA . 17306 1 779 . 1 1 74 74 ASP HB2 H 1 2.780 0.020 . 2 . . . . 74 ASP HB2 . 17306 1 780 . 1 1 74 74 ASP HB3 H 1 2.629 0.020 . 2 . . . . 74 ASP HB3 . 17306 1 781 . 1 1 74 74 ASP C C 13 176.458 0.3 . 1 . . . . 74 ASP C . 17306 1 782 . 1 1 74 74 ASP CA C 13 53.351 0.3 . 1 . . . . 74 ASP CA . 17306 1 783 . 1 1 74 74 ASP CB C 13 39.941 0.3 . 1 . . . . 74 ASP CB . 17306 1 784 . 1 1 74 74 ASP N N 15 115.865 0.3 . 1 . . . . 74 ASP N . 17306 1 785 . 1 1 75 75 GLY H H 1 7.985 0.020 . 1 . . . . 75 GLY H . 17306 1 786 . 1 1 75 75 GLY HA2 H 1 4.263 0.020 . 2 . . . . 75 GLY HA2 . 17306 1 787 . 1 1 75 75 GLY HA3 H 1 3.607 0.020 . 2 . . . . 75 GLY HA3 . 17306 1 788 . 1 1 75 75 GLY C C 13 174.168 0.3 . 1 . . . . 75 GLY C . 17306 1 789 . 1 1 75 75 GLY CA C 13 45.218 0.3 . 1 . . . . 75 GLY CA . 17306 1 790 . 1 1 75 75 GLY N N 15 106.996 0.3 . 1 . . . . 75 GLY N . 17306 1 791 . 1 1 76 76 ASN H H 1 7.546 0.020 . 1 . . . . 76 ASN H . 17306 1 792 . 1 1 76 76 ASN HA H 1 5.337 0.020 . 1 . . . . 76 ASN HA . 17306 1 793 . 1 1 76 76 ASN HB2 H 1 2.855 0.020 . 2 . . . . 76 ASN HB2 . 17306 1 794 . 1 1 76 76 ASN HB3 H 1 2.597 0.020 . 2 . . . . 76 ASN HB3 . 17306 1 795 . 1 1 76 76 ASN C C 13 177.359 0.3 . 1 . . . . 76 ASN C . 17306 1 796 . 1 1 76 76 ASN CA C 13 53.785 0.3 . 1 . . . . 76 ASN CA . 17306 1 797 . 1 1 76 76 ASN CB C 13 40.499 0.3 . 1 . . . . 76 ASN CB . 17306 1 798 . 1 1 76 76 ASN N N 15 116.653 0.3 . 1 . . . . 76 ASN N . 17306 1 799 . 1 1 77 77 THR H H 1 9.150 0.020 . 1 . . . . 77 THR H . 17306 1 800 . 1 1 77 77 THR CA C 13 59.621 0.3 . 1 . . . . 77 THR CA . 17306 1 801 . 1 1 77 77 THR CB C 13 68.437 0.3 . 1 . . . . 77 THR CB . 17306 1 802 . 1 1 77 77 THR N N 15 117.182 0.3 . 1 . . . . 77 THR N . 17306 1 803 . 1 1 78 78 PRO HA H 1 3.962 0.020 . 1 . . . . 78 PRO HA . 17306 1 804 . 1 1 78 78 PRO HB2 H 1 1.802 0.020 . 1 . . . . 78 PRO HB2 . 17306 1 805 . 1 1 78 78 PRO HB3 H 1 1.802 0.020 . 1 . . . . 78 PRO HB3 . 17306 1 806 . 1 1 78 78 PRO HG2 H 1 1.619 0.020 . 1 . . . . 78 PRO HG2 . 17306 1 807 . 1 1 78 78 PRO HG3 H 1 1.619 0.020 . 1 . . . . 78 PRO HG3 . 17306 1 808 . 1 1 78 78 PRO C C 13 177.037 0.3 . 1 . . . . 78 PRO C . 17306 1 809 . 1 1 78 78 PRO CA C 13 66.078 0.3 . 1 . . . . 78 PRO CA . 17306 1 810 . 1 1 78 78 PRO CB C 13 30.938 0.3 . 1 . . . . 78 PRO CB . 17306 1 811 . 1 1 78 78 PRO CG C 13 26.948 0.3 . 1 . . . . 78 PRO CG . 17306 1 812 . 1 1 78 78 PRO CD C 13 49.218 0.3 . 1 . . . . 78 PRO CD . 17306 1 813 . 1 1 79 79 GLU H H 1 8.714 0.020 . 1 . . . . 79 GLU H . 17306 1 814 . 1 1 79 79 GLU HA H 1 3.543 0.020 . 1 . . . . 79 GLU HA . 17306 1 815 . 1 1 79 79 GLU HB2 H 1 2.060 0.020 . 2 . . . . 79 GLU HB2 . 17306 1 816 . 1 1 79 79 GLU HB3 H 1 1.791 0.020 . 2 . . . . 79 GLU HB3 . 17306 1 817 . 1 1 79 79 GLU HG2 H 1 2.199 0.020 . 1 . . . . 79 GLU HG2 . 17306 1 818 . 1 1 79 79 GLU HG3 H 1 2.199 0.020 . 1 . . . . 79 GLU HG3 . 17306 1 819 . 1 1 79 79 GLU C C 13 177.398 0.3 . 1 . . . . 79 GLU C . 17306 1 820 . 1 1 79 79 GLU CA C 13 59.982 0.3 . 1 . . . . 79 GLU CA . 17306 1 821 . 1 1 79 79 GLU CB C 13 28.735 0.3 . 1 . . . . 79 GLU CB . 17306 1 822 . 1 1 79 79 GLU CG C 13 35.669 0.3 . 1 . . . . 79 GLU CG . 17306 1 823 . 1 1 79 79 GLU N N 15 117.442 0.3 . 1 . . . . 79 GLU N . 17306 1 824 . 1 1 80 80 HIS H H 1 7.676 0.020 . 1 . . . . 80 HIS H . 17306 1 825 . 1 1 80 80 HIS HA H 1 4.209 0.020 . 1 . . . . 80 HIS HA . 17306 1 826 . 1 1 80 80 HIS HB2 H 1 3.457 0.020 . 2 . . . . 80 HIS HB2 . 17306 1 827 . 1 1 80 80 HIS HB3 H 1 3.220 0.020 . 2 . . . . 80 HIS HB3 . 17306 1 828 . 1 1 80 80 HIS C C 13 179.096 0.3 . 1 . . . . 80 HIS C . 17306 1 829 . 1 1 80 80 HIS CA C 13 59.477 0.3 . 1 . . . . 80 HIS CA . 17306 1 830 . 1 1 80 80 HIS CB C 13 31.622 0.3 . 1 . . . . 80 HIS CB . 17306 1 831 . 1 1 80 80 HIS N N 15 118.521 0.3 . 1 . . . . 80 HIS N . 17306 1 832 . 1 1 81 81 LEU H H 1 7.589 0.020 . 1 . . . . 81 LEU H . 17306 1 833 . 1 1 81 81 LEU HA H 1 4.015 0.020 . 1 . . . . 81 LEU HA . 17306 1 834 . 1 1 81 81 LEU HB2 H 1 2.124 0.020 . 2 . . . . 81 LEU HB2 . 17306 1 835 . 1 1 81 81 LEU HB3 H 1 1.200 0.020 . 2 . . . . 81 LEU HB3 . 17306 1 836 . 1 1 81 81 LEU HG H 1 1.011 0.020 . 1 . . . . 81 LEU HG . 17306 1 837 . 1 1 81 81 LEU HD11 H 1 0.867 0.020 . 1 . . . . 81 LEU HD1 . 17306 1 838 . 1 1 81 81 LEU HD12 H 1 0.867 0.020 . 1 . . . . 81 LEU HD1 . 17306 1 839 . 1 1 81 81 LEU HD13 H 1 0.867 0.020 . 1 . . . . 81 LEU HD1 . 17306 1 840 . 1 1 81 81 LEU HD21 H 1 0.867 0.020 . 1 . . . . 81 LEU HD2 . 17306 1 841 . 1 1 81 81 LEU HD22 H 1 0.867 0.020 . 1 . . . . 81 LEU HD2 . 17306 1 842 . 1 1 81 81 LEU HD23 H 1 0.867 0.020 . 1 . . . . 81 LEU HD2 . 17306 1 843 . 1 1 81 81 LEU C C 13 179.225 0.3 . 1 . . . . 81 LEU C . 17306 1 844 . 1 1 81 81 LEU CA C 13 57.095 0.3 . 1 . . . . 81 LEU CA . 17306 1 845 . 1 1 81 81 LEU CB C 13 41.580 0.3 . 1 . . . . 81 LEU CB . 17306 1 846 . 1 1 81 81 LEU CG C 13 26.948 0.3 . 1 . . . . 81 LEU CG . 17306 1 847 . 1 1 81 81 LEU CD1 C 13 22.048 0.3 . 1 . . . . 81 LEU CD1 . 17306 1 848 . 1 1 81 81 LEU CD2 C 13 22.048 0.3 . 1 . . . . 81 LEU CD2 . 17306 1 849 . 1 1 81 81 LEU N N 15 116.349 0.3 . 1 . . . . 81 LEU N . 17306 1 850 . 1 1 82 82 ALA H H 1 8.243 0.020 . 1 . . . . 82 ALA H . 17306 1 851 . 1 1 82 82 ALA HA H 1 4.123 0.020 . 1 . . . . 82 ALA HA . 17306 1 852 . 1 1 82 82 ALA HB1 H 1 1.426 0.020 . 1 . . . . 82 ALA HB . 17306 1 853 . 1 1 82 82 ALA HB2 H 1 1.426 0.020 . 1 . . . . 82 ALA HB . 17306 1 854 . 1 1 82 82 ALA HB3 H 1 1.426 0.020 . 1 . . . . 82 ALA HB . 17306 1 855 . 1 1 82 82 ALA C C 13 179.006 0.3 . 1 . . . . 82 ALA C . 17306 1 856 . 1 1 82 82 ALA CA C 13 54.930 0.3 . 1 . . . . 82 ALA CA . 17306 1 857 . 1 1 82 82 ALA CB C 13 18.127 0.3 . 1 . . . . 82 ALA CB . 17306 1 858 . 1 1 82 82 ALA N N 15 121.926 0.3 . 1 . . . . 82 ALA N . 17306 1 859 . 1 1 83 83 LYS H H 1 8.494 0.020 . 1 . . . . 83 LYS H . 17306 1 860 . 1 1 83 83 LYS HA H 1 3.682 0.020 . 1 . . . . 83 LYS HA . 17306 1 861 . 1 1 83 83 LYS HB2 H 1 1.877 0.020 . 1 . . . . 83 LYS HB2 . 17306 1 862 . 1 1 83 83 LYS HB3 H 1 1.877 0.020 . 1 . . . . 83 LYS HB3 . 17306 1 863 . 1 1 83 83 LYS HG2 H 1 1.458 0.020 . 1 . . . . 83 LYS HG2 . 17306 1 864 . 1 1 83 83 LYS HG3 H 1 1.458 0.020 . 1 . . . . 83 LYS HG3 . 17306 1 865 . 1 1 83 83 LYS HD2 H 1 1.662 0.020 . 1 . . . . 83 LYS HD2 . 17306 1 866 . 1 1 83 83 LYS HD3 H 1 1.662 0.020 . 1 . . . . 83 LYS HD3 . 17306 1 867 . 1 1 83 83 LYS HE2 H 1 2.952 0.020 . 1 . . . . 83 LYS HE2 . 17306 1 868 . 1 1 83 83 LYS HE3 H 1 2.952 0.020 . 1 . . . . 83 LYS HE3 . 17306 1 869 . 1 1 83 83 LYS C C 13 180.447 0.3 . 1 . . . . 83 LYS C . 17306 1 870 . 1 1 83 83 LYS CA C 13 59.693 0.3 . 1 . . . . 83 LYS CA . 17306 1 871 . 1 1 83 83 LYS CB C 13 32.416 0.3 . 1 . . . . 83 LYS CB . 17306 1 872 . 1 1 83 83 LYS CG C 13 25.651 0.3 . 1 . . . . 83 LYS CG . 17306 1 873 . 1 1 83 83 LYS CD C 13 29.471 0.3 . 1 . . . . 83 LYS CD . 17306 1 874 . 1 1 83 83 LYS CE C 13 41.867 0.3 . 1 . . . . 83 LYS CE . 17306 1 875 . 1 1 83 83 LYS N N 15 118.583 0.3 . 1 . . . . 83 LYS N . 17306 1 876 . 1 1 84 84 LYS H H 1 8.155 0.020 . 1 . . . . 84 LYS H . 17306 1 877 . 1 1 84 84 LYS HA H 1 3.972 0.020 . 1 . . . . 84 LYS HA . 17306 1 878 . 1 1 84 84 LYS HB2 H 1 1.813 0.020 . 1 . . . . 84 LYS HB2 . 17306 1 879 . 1 1 84 84 LYS HB3 H 1 1.813 0.020 . 1 . . . . 84 LYS HB3 . 17306 1 880 . 1 1 84 84 LYS HG2 H 1 1.426 0.020 . 1 . . . . 84 LYS HG2 . 17306 1 881 . 1 1 84 84 LYS HG3 H 1 1.426 0.020 . 1 . . . . 84 LYS HG3 . 17306 1 882 . 1 1 84 84 LYS HD2 H 1 1.587 0.020 . 1 . . . . 84 LYS HD2 . 17306 1 883 . 1 1 84 84 LYS HD3 H 1 1.587 0.020 . 1 . . . . 84 LYS HD3 . 17306 1 884 . 1 1 84 84 LYS HE2 H 1 2.876 0.020 . 1 . . . . 84 LYS HE2 . 17306 1 885 . 1 1 84 84 LYS HE3 H 1 2.876 0.020 . 1 . . . . 84 LYS HE3 . 17306 1 886 . 1 1 84 84 LYS C C 13 177.282 0.3 . 1 . . . . 84 LYS C . 17306 1 887 . 1 1 84 84 LYS CA C 13 58.611 0.3 . 1 . . . . 84 LYS CA . 17306 1 888 . 1 1 84 84 LYS CB C 13 32.055 0.3 . 1 . . . . 84 LYS CB . 17306 1 889 . 1 1 84 84 LYS CG C 13 24.642 0.3 . 1 . . . . 84 LYS CG . 17306 1 890 . 1 1 84 84 LYS CD C 13 29.110 0.3 . 1 . . . . 84 LYS CD . 17306 1 891 . 1 1 84 84 LYS CE C 13 41.795 0.3 . 1 . . . . 84 LYS CE . 17306 1 892 . 1 1 84 84 LYS N N 15 119.789 0.3 . 1 . . . . 84 LYS N . 17306 1 893 . 1 1 85 85 ASN H H 1 7.086 0.020 . 1 . . . . 85 ASN H . 17306 1 894 . 1 1 85 85 ASN HA H 1 4.703 0.020 . 1 . . . . 85 ASN HA . 17306 1 895 . 1 1 85 85 ASN HB2 H 1 2.780 0.020 . 2 . . . . 85 ASN HB2 . 17306 1 896 . 1 1 85 85 ASN HB3 H 1 2.554 0.020 . 2 . . . . 85 ASN HB3 . 17306 1 897 . 1 1 85 85 ASN C C 13 173.833 0.3 . 1 . . . . 85 ASN C . 17306 1 898 . 1 1 85 85 ASN CA C 13 52.332 0.3 . 1 . . . . 85 ASN CA . 17306 1 899 . 1 1 85 85 ASN CB C 13 39.415 0.3 . 1 . . . . 85 ASN CB . 17306 1 900 . 1 1 85 85 ASN N N 15 113.916 0.3 . 1 . . . . 85 ASN N . 17306 1 901 . 1 1 86 86 GLY H H 1 7.422 0.020 . 1 . . . . 86 GLY H . 17306 1 902 . 1 1 86 86 GLY HA2 H 1 3.768 0.020 . 2 . . . . 86 GLY HA2 . 17306 1 903 . 1 1 86 86 GLY HA3 H 1 3.489 0.020 . 2 . . . . 86 GLY HA3 . 17306 1 904 . 1 1 86 86 GLY C C 13 174.335 0.3 . 1 . . . . 86 GLY C . 17306 1 905 . 1 1 86 86 GLY CA C 13 45.766 0.3 . 1 . . . . 86 GLY CA . 17306 1 906 . 1 1 86 86 GLY N N 15 106.365 0.3 . 1 . . . . 86 GLY N . 17306 1 907 . 1 1 87 87 HIS H H 1 8.172 0.020 . 1 . . . . 87 HIS H . 17306 1 908 . 1 1 87 87 HIS HA H 1 5.251 0.020 . 1 . . . . 87 HIS HA . 17306 1 909 . 1 1 87 87 HIS HB2 H 1 3.048 0.020 . 2 . . . . 87 HIS HB2 . 17306 1 910 . 1 1 87 87 HIS HB3 H 1 2.995 0.020 . 2 . . . . 87 HIS HB3 . 17306 1 911 . 1 1 87 87 HIS C C 13 176.909 0.3 . 1 . . . . 87 HIS C . 17306 1 912 . 1 1 87 87 HIS CA C 13 52.792 0.3 . 1 . . . . 87 HIS CA . 17306 1 913 . 1 1 87 87 HIS CB C 13 28.331 0.3 . 1 . . . . 87 HIS CB . 17306 1 914 . 1 1 87 87 HIS N N 15 119.858 0.3 . 1 . . . . 87 HIS N . 17306 1 915 . 1 1 88 88 HIS H H 1 7.743 0.020 . 1 . . . . 88 HIS H . 17306 1 916 . 1 1 88 88 HIS HA H 1 4.134 0.020 . 1 . . . . 88 HIS HA . 17306 1 917 . 1 1 88 88 HIS HB2 H 1 3.124 0.020 . 1 . . . . 88 HIS HB2 . 17306 1 918 . 1 1 88 88 HIS HB3 H 1 3.124 0.020 . 1 . . . . 88 HIS HB3 . 17306 1 919 . 1 1 88 88 HIS C C 13 178.170 0.3 . 1 . . . . 88 HIS C . 17306 1 920 . 1 1 88 88 HIS CA C 13 59.837 0.3 . 1 . . . . 88 HIS CA . 17306 1 921 . 1 1 88 88 HIS CB C 13 30.318 0.3 . 1 . . . . 88 HIS CB . 17306 1 922 . 1 1 88 88 HIS N N 15 122.558 0.3 . 1 . . . . 88 HIS N . 17306 1 923 . 1 1 89 89 GLU H H 1 9.254 0.020 . 1 . . . . 89 GLU H . 17306 1 924 . 1 1 89 89 GLU HA H 1 4.112 0.020 . 1 . . . . 89 GLU HA . 17306 1 925 . 1 1 89 89 GLU HB2 H 1 2.060 0.020 . 1 . . . . 89 GLU HB2 . 17306 1 926 . 1 1 89 89 GLU HB3 H 1 2.060 0.020 . 1 . . . . 89 GLU HB3 . 17306 1 927 . 1 1 89 89 GLU HG2 H 1 2.275 0.020 . 1 . . . . 89 GLU HG2 . 17306 1 928 . 1 1 89 89 GLU HG3 H 1 2.275 0.020 . 1 . . . . 89 GLU HG3 . 17306 1 929 . 1 1 89 89 GLU C C 13 179.276 0.3 . 1 . . . . 89 GLU C . 17306 1 930 . 1 1 89 89 GLU CA C 13 59.187 0.3 . 1 . . . . 89 GLU CA . 17306 1 931 . 1 1 89 89 GLU CB C 13 28.331 0.3 . 1 . . . . 89 GLU CB . 17306 1 932 . 1 1 89 89 GLU CG C 13 35.957 0.3 . 1 . . . . 89 GLU CG . 17306 1 933 . 1 1 89 89 GLU N N 15 119.902 0.3 . 1 . . . . 89 GLU N . 17306 1 934 . 1 1 90 90 ILE H H 1 7.417 0.020 . 1 . . . . 90 ILE H . 17306 1 935 . 1 1 90 90 ILE HA H 1 3.650 0.020 . 1 . . . . 90 ILE HA . 17306 1 936 . 1 1 90 90 ILE HB H 1 2.113 0.020 . 1 . . . . 90 ILE HB . 17306 1 937 . 1 1 90 90 ILE HG12 H 1 1.694 0.020 . 1 . . . . 90 ILE HG12 . 17306 1 938 . 1 1 90 90 ILE HG13 H 1 1.694 0.020 . 1 . . . . 90 ILE HG13 . 17306 1 939 . 1 1 90 90 ILE HG21 H 1 0.845 0.020 . 1 . . . . 90 ILE HG2 . 17306 1 940 . 1 1 90 90 ILE HG22 H 1 0.845 0.020 . 1 . . . . 90 ILE HG2 . 17306 1 941 . 1 1 90 90 ILE HG23 H 1 0.845 0.020 . 1 . . . . 90 ILE HG2 . 17306 1 942 . 1 1 90 90 ILE HD11 H 1 0.684 0.020 . 1 . . . . 90 ILE HD1 . 17306 1 943 . 1 1 90 90 ILE HD12 H 1 0.684 0.020 . 1 . . . . 90 ILE HD1 . 17306 1 944 . 1 1 90 90 ILE HD13 H 1 0.684 0.020 . 1 . . . . 90 ILE HD1 . 17306 1 945 . 1 1 90 90 ILE C C 13 177.127 0.3 . 1 . . . . 90 ILE C . 17306 1 946 . 1 1 90 90 ILE CA C 13 63.951 0.3 . 1 . . . . 90 ILE CA . 17306 1 947 . 1 1 90 90 ILE CB C 13 36.673 0.3 . 1 . . . . 90 ILE CB . 17306 1 948 . 1 1 90 90 ILE CG1 C 13 29.831 0.3 . 1 . . . . 90 ILE CG1 . 17306 1 949 . 1 1 90 90 ILE CG2 C 13 18.805 0.3 . 1 . . . . 90 ILE CG2 . 17306 1 950 . 1 1 90 90 ILE CD1 C 13 12.431 0.3 . 1 . . . . 90 ILE CD1 . 17306 1 951 . 1 1 90 90 ILE N N 15 119.013 0.3 . 1 . . . . 90 ILE N . 17306 1 952 . 1 1 91 91 VAL H H 1 7.670 0.020 . 1 . . . . 91 VAL H . 17306 1 953 . 1 1 91 91 VAL HA H 1 3.295 0.020 . 1 . . . . 91 VAL HA . 17306 1 954 . 1 1 91 91 VAL HB H 1 2.328 0.020 . 1 . . . . 91 VAL HB . 17306 1 955 . 1 1 91 91 VAL HG11 H 1 0.953 0.020 . 1 . . . . 91 VAL HG1 . 17306 1 956 . 1 1 91 91 VAL HG12 H 1 0.953 0.020 . 1 . . . . 91 VAL HG1 . 17306 1 957 . 1 1 91 91 VAL HG13 H 1 0.953 0.020 . 1 . . . . 91 VAL HG1 . 17306 1 958 . 1 1 91 91 VAL HG21 H 1 0.953 0.020 . 1 . . . . 91 VAL HG2 . 17306 1 959 . 1 1 91 91 VAL HG22 H 1 0.953 0.020 . 1 . . . . 91 VAL HG2 . 17306 1 960 . 1 1 91 91 VAL HG23 H 1 0.953 0.020 . 1 . . . . 91 VAL HG2 . 17306 1 961 . 1 1 91 91 VAL C C 13 177.269 0.3 . 1 . . . . 91 VAL C . 17306 1 962 . 1 1 91 91 VAL CA C 13 67.847 0.3 . 1 . . . . 91 VAL CA . 17306 1 963 . 1 1 91 91 VAL CB C 13 31.189 0.3 . 1 . . . . 91 VAL CB . 17306 1 964 . 1 1 91 91 VAL CG1 C 13 23.345 0.3 . 1 . . . . 91 VAL CG1 . 17306 1 965 . 1 1 91 91 VAL CG2 C 13 21.183 0.3 . 1 . . . . 91 VAL CG2 . 17306 1 966 . 1 1 91 91 VAL N N 15 120.837 0.3 . 1 . . . . 91 VAL N . 17306 1 967 . 1 1 92 92 LYS H H 1 7.325 0.020 . 1 . . . . 92 LYS H . 17306 1 968 . 1 1 92 92 LYS HA H 1 4.058 0.020 . 1 . . . . 92 LYS HA . 17306 1 969 . 1 1 92 92 LYS HB2 H 1 1.866 0.020 . 1 . . . . 92 LYS HB2 . 17306 1 970 . 1 1 92 92 LYS HB3 H 1 1.866 0.020 . 1 . . . . 92 LYS HB3 . 17306 1 971 . 1 1 92 92 LYS HG2 H 1 1.458 0.020 . 1 . . . . 92 LYS HG2 . 17306 1 972 . 1 1 92 92 LYS HG3 H 1 1.458 0.020 . 1 . . . . 92 LYS HG3 . 17306 1 973 . 1 1 92 92 LYS HD2 H 1 1.565 0.020 . 1 . . . . 92 LYS HD2 . 17306 1 974 . 1 1 92 92 LYS HD3 H 1 1.565 0.020 . 1 . . . . 92 LYS HD3 . 17306 1 975 . 1 1 92 92 LYS HE2 H 1 2.898 0.020 . 1 . . . . 92 LYS HE2 . 17306 1 976 . 1 1 92 92 LYS HE3 H 1 2.898 0.020 . 1 . . . . 92 LYS HE3 . 17306 1 977 . 1 1 92 92 LYS C C 13 179.212 0.3 . 1 . . . . 92 LYS C . 17306 1 978 . 1 1 92 92 LYS CA C 13 59.044 0.3 . 1 . . . . 92 LYS CA . 17306 1 979 . 1 1 92 92 LYS CB C 13 31.983 0.3 . 1 . . . . 92 LYS CB . 17306 1 980 . 1 1 92 92 LYS CG C 13 24.786 0.3 . 1 . . . . 92 LYS CG . 17306 1 981 . 1 1 92 92 LYS CD C 13 29.255 0.3 . 1 . . . . 92 LYS CD . 17306 1 982 . 1 1 92 92 LYS CE C 13 41.795 0.3 . 1 . . . . 92 LYS CE . 17306 1 983 . 1 1 92 92 LYS N N 15 115.974 0.3 . 1 . . . . 92 LYS N . 17306 1 984 . 1 1 93 93 LEU H H 1 7.434 0.020 . 1 . . . . 93 LEU H . 17306 1 985 . 1 1 93 93 LEU HA H 1 4.069 0.020 . 1 . . . . 93 LEU HA . 17306 1 986 . 1 1 93 93 LEU HB2 H 1 1.941 0.020 . 2 . . . . 93 LEU HB2 . 17306 1 987 . 1 1 93 93 LEU HB3 H 1 1.286 0.020 . 2 . . . . 93 LEU HB3 . 17306 1 988 . 1 1 93 93 LEU C C 13 178.659 0.3 . 1 . . . . 93 LEU C . 17306 1 989 . 1 1 93 93 LEU CA C 13 57.023 0.3 . 1 . . . . 93 LEU CA . 17306 1 990 . 1 1 93 93 LEU CB C 13 42.518 0.3 . 1 . . . . 93 LEU CB . 17306 1 991 . 1 1 93 93 LEU CG C 13 25.939 0.3 . 1 . . . . 93 LEU CG . 17306 1 992 . 1 1 93 93 LEU CD1 C 13 22.768 0.3 . 1 . . . . 93 LEU CD1 . 17306 1 993 . 1 1 93 93 LEU CD2 C 13 22.768 0.3 . 1 . . . . 93 LEU CD2 . 17306 1 994 . 1 1 93 93 LEU N N 15 118.558 0.3 . 1 . . . . 93 LEU N . 17306 1 995 . 1 1 94 94 LEU H H 1 7.847 0.020 . 1 . . . . 94 LEU H . 17306 1 996 . 1 1 94 94 LEU HA H 1 3.983 0.020 . 1 . . . . 94 LEU HA . 17306 1 997 . 1 1 94 94 LEU HB2 H 1 1.780 0.020 . 2 . . . . 94 LEU HB2 . 17306 1 998 . 1 1 94 94 LEU HB3 H 1 1.555 0.020 . 2 . . . . 94 LEU HB3 . 17306 1 999 . 1 1 94 94 LEU HG H 1 0.630 0.020 . 1 . . . . 94 LEU HG . 17306 1 1000 . 1 1 94 94 LEU HD11 H 1 0.761 0.020 . 1 . . . . 94 LEU HD1 . 17306 1 1001 . 1 1 94 94 LEU HD12 H 1 0.761 0.020 . 1 . . . . 94 LEU HD1 . 17306 1 1002 . 1 1 94 94 LEU HD13 H 1 0.761 0.020 . 1 . . . . 94 LEU HD1 . 17306 1 1003 . 1 1 94 94 LEU HD21 H 1 0.641 0.020 . 1 . . . . 94 LEU HD2 . 17306 1 1004 . 1 1 94 94 LEU HD22 H 1 0.641 0.020 . 1 . . . . 94 LEU HD2 . 17306 1 1005 . 1 1 94 94 LEU HD23 H 1 0.641 0.020 . 1 . . . . 94 LEU HD2 . 17306 1 1006 . 1 1 94 94 LEU C C 13 177.745 0.3 . 1 . . . . 94 LEU C . 17306 1 1007 . 1 1 94 94 LEU CA C 13 56.157 0.3 . 1 . . . . 94 LEU CA . 17306 1 1008 . 1 1 94 94 LEU CB C 13 41.292 0.3 . 1 . . . . 94 LEU CB . 17306 1 1009 . 1 1 94 94 LEU CG C 13 26.012 0.3 . 1 . . . . 94 LEU CG . 17306 1 1010 . 1 1 94 94 LEU CD1 C 13 23.633 0.3 . 1 . . . . 94 LEU CD1 . 17306 1 1011 . 1 1 94 94 LEU CD2 C 13 23.633 0.3 . 1 . . . . 94 LEU CD2 . 17306 1 1012 . 1 1 94 94 LEU N N 15 117.187 0.3 . 1 . . . . 94 LEU N . 17306 1 1013 . 1 1 95 95 ASP H H 1 8.162 0.020 . 1 . . . . 95 ASP H . 17306 1 1014 . 1 1 95 95 ASP HA H 1 4.456 0.020 . 1 . . . . 95 ASP HA . 17306 1 1015 . 1 1 95 95 ASP HB2 H 1 2.683 0.020 . 1 . . . . 95 ASP HB2 . 17306 1 1016 . 1 1 95 95 ASP HB3 H 1 2.683 0.020 . 1 . . . . 95 ASP HB3 . 17306 1 1017 . 1 1 95 95 ASP C C 13 177.102 0.3 . 1 . . . . 95 ASP C . 17306 1 1018 . 1 1 95 95 ASP CA C 13 55.219 0.3 . 1 . . . . 95 ASP CA . 17306 1 1019 . 1 1 95 95 ASP CB C 13 40.872 0.3 . 1 . . . . 95 ASP CB . 17306 1 1020 . 1 1 95 95 ASP N N 15 120.399 0.3 . 1 . . . . 95 ASP N . 17306 1 1021 . 1 1 96 96 ALA H H 1 7.898 0.020 . 1 . . . . 96 ALA H . 17306 1 1022 . 1 1 96 96 ALA HA H 1 4.220 0.020 . 1 . . . . 96 ALA HA . 17306 1 1023 . 1 1 96 96 ALA HB1 H 1 1.447 0.020 . 1 . . . . 96 ALA HB . 17306 1 1024 . 1 1 96 96 ALA HB2 H 1 1.447 0.020 . 1 . . . . 96 ALA HB . 17306 1 1025 . 1 1 96 96 ALA HB3 H 1 1.447 0.020 . 1 . . . . 96 ALA HB . 17306 1 1026 . 1 1 96 96 ALA C C 13 178.749 0.3 . 1 . . . . 96 ALA C . 17306 1 1027 . 1 1 96 96 ALA CA C 13 53.499 0.3 . 1 . . . . 96 ALA CA . 17306 1 1028 . 1 1 96 96 ALA CB C 13 18.560 0.3 . 1 . . . . 96 ALA CB . 17306 1 1029 . 1 1 96 96 ALA N N 15 123.393 0.3 . 1 . . . . 96 ALA N . 17306 1 1030 . 1 1 97 97 LYS H H 1 7.991 0.020 . 1 . . . . 97 LYS H . 17306 1 1031 . 1 1 97 97 LYS HA H 1 4.273 0.020 . 1 . . . . 97 LYS HA . 17306 1 1032 . 1 1 97 97 LYS HB2 H 1 1.877 0.020 . 1 . . . . 97 LYS HB2 . 17306 1 1033 . 1 1 97 97 LYS HB3 H 1 1.877 0.020 . 1 . . . . 97 LYS HB3 . 17306 1 1034 . 1 1 97 97 LYS HG2 H 1 1.447 0.020 . 1 . . . . 97 LYS HG2 . 17306 1 1035 . 1 1 97 97 LYS HG3 H 1 1.447 0.020 . 1 . . . . 97 LYS HG3 . 17306 1 1036 . 1 1 97 97 LYS HD2 H 1 1.651 0.020 . 1 . . . . 97 LYS HD2 . 17306 1 1037 . 1 1 97 97 LYS HD3 H 1 1.651 0.020 . 1 . . . . 97 LYS HD3 . 17306 1 1038 . 1 1 97 97 LYS HE2 H 1 3.016 0.020 . 1 . . . . 97 LYS HE2 . 17306 1 1039 . 1 1 97 97 LYS HE3 H 1 3.016 0.020 . 1 . . . . 97 LYS HE3 . 17306 1 1040 . 1 1 97 97 LYS C C 13 176.986 0.3 . 1 . . . . 97 LYS C . 17306 1 1041 . 1 1 97 97 LYS CA C 13 56.374 0.3 . 1 . . . . 97 LYS CA . 17306 1 1042 . 1 1 97 97 LYS CB C 13 31.838 0.3 . 1 . . . . 97 LYS CB . 17306 1 1043 . 1 1 97 97 LYS CG C 13 24.498 0.3 . 1 . . . . 97 LYS CG . 17306 1 1044 . 1 1 97 97 LYS CD C 13 28.462 0.3 . 1 . . . . 97 LYS CD . 17306 1 1045 . 1 1 97 97 LYS CE C 13 42.155 0.3 . 1 . . . . 97 LYS CE . 17306 1 1046 . 1 1 97 97 LYS N N 15 118.412 0.3 . 1 . . . . 97 LYS N . 17306 1 1047 . 1 1 98 98 GLY H H 1 8.227 0.020 . 1 . . . . 98 GLY H . 17306 1 1048 . 1 1 98 98 GLY HA2 H 1 3.897 0.020 . 1 . . . . 98 GLY HA2 . 17306 1 1049 . 1 1 98 98 GLY HA3 H 1 3.897 0.020 . 1 . . . . 98 GLY HA3 . 17306 1 1050 . 1 1 98 98 GLY C C 13 174.193 0.3 . 1 . . . . 98 GLY C . 17306 1 1051 . 1 1 98 98 GLY CA C 13 45.621 0.3 . 1 . . . . 98 GLY CA . 17306 1 1052 . 1 1 98 98 GLY N N 15 108.151 0.3 . 1 . . . . 98 GLY N . 17306 1 1053 . 1 1 99 99 ALA H H 1 8.004 0.020 . 1 . . . . 99 ALA H . 17306 1 1054 . 1 1 99 99 ALA HA H 1 4.263 0.020 . 1 . . . . 99 ALA HA . 17306 1 1055 . 1 1 99 99 ALA HB1 H 1 1.372 0.020 . 1 . . . . 99 ALA HB . 17306 1 1056 . 1 1 99 99 ALA HB2 H 1 1.372 0.020 . 1 . . . . 99 ALA HB . 17306 1 1057 . 1 1 99 99 ALA HB3 H 1 1.372 0.020 . 1 . . . . 99 ALA HB . 17306 1 1058 . 1 1 99 99 ALA C C 13 177.694 0.3 . 1 . . . . 99 ALA C . 17306 1 1059 . 1 1 99 99 ALA CA C 13 52.621 0.3 . 1 . . . . 99 ALA CA . 17306 1 1060 . 1 1 99 99 ALA CB C 13 19.066 0.3 . 1 . . . . 99 ALA CB . 17306 1 1061 . 1 1 99 99 ALA N N 15 123.188 0.3 . 1 . . . . 99 ALA N . 17306 1 1062 . 1 1 100 100 ASP H H 1 8.233 0.020 . 1 . . . . 100 ASP H . 17306 1 1063 . 1 1 100 100 ASP HA H 1 4.563 0.020 . 1 . . . . 100 ASP HA . 17306 1 1064 . 1 1 100 100 ASP HB2 H 1 2.694 0.020 . 1 . . . . 100 ASP HB2 . 17306 1 1065 . 1 1 100 100 ASP HB3 H 1 2.694 0.020 . 1 . . . . 100 ASP HB3 . 17306 1 1066 . 1 1 100 100 ASP C C 13 177.012 0.3 . 1 . . . . 100 ASP C . 17306 1 1067 . 1 1 100 100 ASP CA C 13 54.497 0.3 . 1 . . . . 100 ASP CA . 17306 1 1068 . 1 1 100 100 ASP CB C 13 40.931 0.3 . 1 . . . . 100 ASP CB . 17306 1 1069 . 1 1 100 100 ASP N N 15 119.445 0.3 . 1 . . . . 100 ASP N . 17306 1 1070 . 1 1 101 101 VAL H H 1 8.067 0.020 . 1 . . . . 101 VAL H . 17306 1 1071 . 1 1 101 101 VAL HA H 1 3.983 0.020 . 1 . . . . 101 VAL HA . 17306 1 1072 . 1 1 101 101 VAL HB H 1 2.124 0.020 . 1 . . . . 101 VAL HB . 17306 1 1073 . 1 1 101 101 VAL HG11 H 1 0.899 0.020 . 1 . . . . 101 VAL HG1 . 17306 1 1074 . 1 1 101 101 VAL HG12 H 1 0.899 0.020 . 1 . . . . 101 VAL HG1 . 17306 1 1075 . 1 1 101 101 VAL HG13 H 1 0.899 0.020 . 1 . . . . 101 VAL HG1 . 17306 1 1076 . 1 1 101 101 VAL HG21 H 1 0.899 0.020 . 1 . . . . 101 VAL HG2 . 17306 1 1077 . 1 1 101 101 VAL HG22 H 1 0.899 0.020 . 1 . . . . 101 VAL HG2 . 17306 1 1078 . 1 1 101 101 VAL HG23 H 1 0.899 0.020 . 1 . . . . 101 VAL HG2 . 17306 1 1079 . 1 1 101 101 VAL C C 13 176.432 0.3 . 1 . . . . 101 VAL C . 17306 1 1080 . 1 1 101 101 VAL CA C 13 63.408 0.3 . 1 . . . . 101 VAL CA . 17306 1 1081 . 1 1 101 101 VAL CB C 13 32.118 0.3 . 1 . . . . 101 VAL CB . 17306 1 1082 . 1 1 101 101 VAL CG1 C 13 20.750 0.3 . 1 . . . . 101 VAL CG1 . 17306 1 1083 . 1 1 101 101 VAL CG2 C 13 20.246 0.3 . 1 . . . . 101 VAL CG2 . 17306 1 1084 . 1 1 101 101 VAL N N 15 120.111 0.3 . 1 . . . . 101 VAL N . 17306 1 1085 . 1 1 102 102 ASN H H 1 8.368 0.020 . 1 . . . . 102 ASN H . 17306 1 1086 . 1 1 102 102 ASN HA H 1 4.671 0.020 . 1 . . . . 102 ASN HA . 17306 1 1087 . 1 1 102 102 ASN HB2 H 1 2.769 0.020 . 1 . . . . 102 ASN HB2 . 17306 1 1088 . 1 1 102 102 ASN HB3 H 1 2.769 0.020 . 1 . . . . 102 ASN HB3 . 17306 1 1089 . 1 1 102 102 ASN C C 13 175.094 0.3 . 1 . . . . 102 ASN C . 17306 1 1090 . 1 1 102 102 ASN CA C 13 53.599 0.3 . 1 . . . . 102 ASN CA . 17306 1 1091 . 1 1 102 102 ASN CB C 13 38.637 0.3 . 1 . . . . 102 ASN CB . 17306 1 1092 . 1 1 102 102 ASN N N 15 120.008 0.3 . 1 . . . . 102 ASN N . 17306 1 1093 . 1 1 103 103 ALA H H 1 7.961 0.020 . 1 . . . . 103 ALA H . 17306 1 1094 . 1 1 103 103 ALA HA H 1 4.166 0.020 . 1 . . . . 103 ALA HA . 17306 1 1095 . 1 1 103 103 ALA HB1 H 1 1.361 0.020 . 1 . . . . 103 ALA HB . 17306 1 1096 . 1 1 103 103 ALA HB2 H 1 1.361 0.020 . 1 . . . . 103 ALA HB . 17306 1 1097 . 1 1 103 103 ALA HB3 H 1 1.361 0.020 . 1 . . . . 103 ALA HB . 17306 1 1098 . 1 1 103 103 ALA C C 13 178.260 0.3 . 1 . . . . 103 ALA C . 17306 1 1099 . 1 1 103 103 ALA CA C 13 52.916 0.3 . 1 . . . . 103 ALA CA . 17306 1 1100 . 1 1 103 103 ALA CB C 13 18.832 0.3 . 1 . . . . 103 ALA CB . 17306 1 1101 . 1 1 103 103 ALA N N 15 123.671 0.3 . 1 . . . . 103 ALA N . 17306 1 1102 . 1 1 104 104 ARG H H 1 8.117 0.020 . 1 . . . . 104 ARG H . 17306 1 1103 . 1 1 104 104 ARG HA H 1 4.209 0.020 . 1 . . . . 104 ARG HA . 17306 1 1104 . 1 1 104 104 ARG HB2 H 1 1.651 0.020 . 1 . . . . 104 ARG HB2 . 17306 1 1105 . 1 1 104 104 ARG HB3 H 1 1.651 0.020 . 1 . . . . 104 ARG HB3 . 17306 1 1106 . 1 1 104 104 ARG HG2 H 1 1.479 0.020 . 1 . . . . 104 ARG HG2 . 17306 1 1107 . 1 1 104 104 ARG HG3 H 1 1.479 0.020 . 1 . . . . 104 ARG HG3 . 17306 1 1108 . 1 1 104 104 ARG HD2 H 1 3.027 0.020 . 1 . . . . 104 ARG HD2 . 17306 1 1109 . 1 1 104 104 ARG HD3 H 1 3.027 0.020 . 1 . . . . 104 ARG HD3 . 17306 1 1110 . 1 1 104 104 ARG C C 13 175.043 0.3 . 1 . . . . 104 ARG C . 17306 1 1111 . 1 1 104 104 ARG CA C 13 56.206 0.3 . 1 . . . . 104 ARG CA . 17306 1 1112 . 1 1 104 104 ARG CB C 13 30.380 0.3 . 1 . . . . 104 ARG CB . 17306 1 1113 . 1 1 104 104 ARG CG C 13 26.444 0.3 . 1 . . . . 104 ARG CG . 17306 1 1114 . 1 1 104 104 ARG CD C 13 43.092 0.3 . 1 . . . . 104 ARG CD . 17306 1 1115 . 1 1 104 104 ARG N N 15 119.007 0.3 . 1 . . . . 104 ARG N . 17306 1 1116 . 1 1 105 105 SER H H 1 8.113 0.020 . 1 . . . . 105 SER H . 17306 1 1117 . 1 1 105 105 SER HA H 1 4.392 0.020 . 1 . . . . 105 SER HA . 17306 1 1118 . 1 1 105 105 SER HB2 H 1 3.801 0.020 . 1 . . . . 105 SER HB2 . 17306 1 1119 . 1 1 105 105 SER HB3 H 1 3.801 0.020 . 1 . . . . 105 SER HB3 . 17306 1 1120 . 1 1 105 105 SER CA C 13 58.442 0.3 . 1 . . . . 105 SER CA . 17306 1 1121 . 1 1 105 105 SER CB C 13 63.594 0.3 . 1 . . . . 105 SER CB . 17306 1 1122 . 1 1 105 105 SER N N 15 115.971 0.3 . 1 . . . . 105 SER N . 17306 1 1123 . 1 1 106 106 TRP H H 1 8.145 0.020 . 1 . . . . 106 TRP H . 17306 1 1124 . 1 1 106 106 TRP HA H 1 4.628 0.020 . 1 . . . . 106 TRP HA . 17306 1 1125 . 1 1 106 106 TRP HB2 H 1 3.263 0.020 . 1 . . . . 106 TRP HB2 . 17306 1 1126 . 1 1 106 106 TRP HB3 H 1 3.263 0.020 . 1 . . . . 106 TRP HB3 . 17306 1 1127 . 1 1 106 106 TRP C C 13 176.587 0.3 . 1 . . . . 106 TRP C . 17306 1 1128 . 1 1 106 106 TRP CA C 13 57.510 0.3 . 1 . . . . 106 TRP CA . 17306 1 1129 . 1 1 106 106 TRP CB C 13 29.448 0.3 . 1 . . . . 106 TRP CB . 17306 1 1130 . 1 1 106 106 TRP N N 15 123.029 0.3 . 1 . . . . 106 TRP N . 17306 1 1131 . 1 1 107 107 GLY H H 1 8.334 0.020 . 1 . . . . 107 GLY H . 17306 1 1132 . 1 1 107 107 GLY CA C 13 45.280 0.3 . 1 . . . . 107 GLY CA . 17306 1 1133 . 1 1 107 107 GLY N N 15 109.933 0.3 . 1 . . . . 107 GLY N . 17306 1 1134 . 1 1 108 108 SER H H 1 8.180 0.020 . 1 . . . . 108 SER H . 17306 1 1135 . 1 1 108 108 SER HA H 1 4.413 0.020 . 1 . . . . 108 SER HA . 17306 1 1136 . 1 1 108 108 SER HB2 H 1 3.843 0.020 . 1 . . . . 108 SER HB2 . 17306 1 1137 . 1 1 108 108 SER HB3 H 1 3.843 0.020 . 1 . . . . 108 SER HB3 . 17306 1 1138 . 1 1 108 108 SER CA C 13 58.317 0.3 . 1 . . . . 108 SER CA . 17306 1 1139 . 1 1 108 108 SER CB C 13 63.905 0.3 . 1 . . . . 108 SER CB . 17306 1 1140 . 1 1 108 108 SER N N 15 115.593 0.3 . 1 . . . . 108 SER N . 17306 1 1141 . 1 1 109 109 SER H H 1 8.319 0.020 . 1 . . . . 109 SER H . 17306 1 1142 . 1 1 109 109 SER CA C 13 58.317 0.3 . 1 . . . . 109 SER CA . 17306 1 1143 . 1 1 109 109 SER CB C 13 63.594 0.3 . 1 . . . . 109 SER CB . 17306 1 1144 . 1 1 109 109 SER N N 15 117.257 0.3 . 1 . . . . 109 SER N . 17306 1 stop_ save_ ############################## # Heteronuclear NOE values # ############################## save_heteronuclear_noe_list _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode heteronuclear_noe_list _Heteronucl_NOE_list.Entry_ID 17306 _Heteronucl_NOE_list.ID 1 _Heteronucl_NOE_list.Sample_condition_list_ID 1 _Heteronucl_NOE_list.Sample_condition_list_label $NR1C_conditions _Heteronucl_NOE_list.Spectrometer_frequency_1H 600 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'relative intensities' _Heteronucl_NOE_list.NOE_ref_val 2E+07 _Heteronucl_NOE_list.NOE_ref_description 'There is no NOE reference value used. Instead the integrals of noe cross peaks are divided by non-noe cross peaks' _Heteronucl_NOE_list.Details . _Heteronucl_NOE_list.Text_data_format . _Heteronucl_NOE_list.Text_data . loop_ _Heteronucl_NOE_experiment.Experiment_ID _Heteronucl_NOE_experiment.Experiment_name _Heteronucl_NOE_experiment.Sample_ID _Heteronucl_NOE_experiment.Sample_label _Heteronucl_NOE_experiment.Sample_state _Heteronucl_NOE_experiment.Entry_ID _Heteronucl_NOE_experiment.Heteronucl_NOE_list_ID 1 '2D 1H-15N HSQC' . . . 17306 1 stop_ loop_ _Heteronucl_NOE_software.Software_ID _Heteronucl_NOE_software.Software_label _Heteronucl_NOE_software.Method_ID _Heteronucl_NOE_software.Method_label _Heteronucl_NOE_software.Entry_ID _Heteronucl_NOE_software.Heteronucl_NOE_list_ID 3 $CARA . . 17306 1 stop_ loop_ _Heteronucl_NOE.ID _Heteronucl_NOE.Assembly_atom_ID_1 _Heteronucl_NOE.Entity_assembly_ID_1 _Heteronucl_NOE.Entity_ID_1 _Heteronucl_NOE.Comp_index_ID_1 _Heteronucl_NOE.Seq_ID_1 _Heteronucl_NOE.Comp_ID_1 _Heteronucl_NOE.Atom_ID_1 _Heteronucl_NOE.Atom_type_1 _Heteronucl_NOE.Atom_isotope_number_1 _Heteronucl_NOE.Assembly_atom_ID_2 _Heteronucl_NOE.Entity_assembly_ID_2 _Heteronucl_NOE.Entity_ID_2 _Heteronucl_NOE.Comp_index_ID_2 _Heteronucl_NOE.Seq_ID_2 _Heteronucl_NOE.Comp_ID_2 _Heteronucl_NOE.Atom_ID_2 _Heteronucl_NOE.Atom_type_2 _Heteronucl_NOE.Atom_isotope_number_2 _Heteronucl_NOE.Val _Heteronucl_NOE.Val_err _Heteronucl_NOE.Resonance_ID_1 _Heteronucl_NOE.Resonance_ID_2 _Heteronucl_NOE.Auth_entity_assembly_ID_1 _Heteronucl_NOE.Auth_seq_ID_1 _Heteronucl_NOE.Auth_comp_ID_1 _Heteronucl_NOE.Auth_atom_ID_1 _Heteronucl_NOE.Auth_entity_assembly_ID_2 _Heteronucl_NOE.Auth_seq_ID_2 _Heteronucl_NOE.Auth_comp_ID_2 _Heteronucl_NOE.Auth_atom_ID_2 _Heteronucl_NOE.Entry_ID _Heteronucl_NOE.Heteronucl_NOE_list_ID 1 . 1 1 6 6 SER H H 1 . 1 1 6 6 SER N N 15 0.386 0.036 . . . 6 SER H . 6 SER N 17306 1 2 . 1 1 7 7 LYS H H 1 . 1 1 7 7 LYS N N 15 0.321 0.030 . . . 7 LYS H . 7 LYS N 17306 1 3 . 1 1 8 8 ASP H H 1 . 1 1 8 8 ASP N N 15 0.431 0.039 . . . 8 ASP H . 8 ASP N 17306 1 4 . 1 1 9 9 GLY H H 1 . 1 1 9 9 GLY N N 15 0.567 0.052 . . . 9 GLY H . 9 GLY N 17306 1 5 . 1 1 10 10 ASN H H 1 . 1 1 10 10 ASN N N 15 0.611 0.056 . . . 10 ASN H . 10 ASN N 17306 1 6 . 1 1 11 11 THR H H 1 . 1 1 11 11 THR N N 15 0.717 0.065 . . . 11 THR H . 11 THR N 17306 1 7 . 1 1 14 14 HIS H H 1 . 1 1 14 14 HIS N N 15 0.773 0.072 . . . 14 HIS H . 14 HIS N 17306 1 8 . 1 1 15 15 ASN H H 1 . 1 1 15 15 ASN N N 15 0.695 0.063 . . . 15 ASN H . 15 ASN N 17306 1 9 . 1 1 16 16 ALA H H 1 . 1 1 16 16 ALA N N 15 0.745 0.068 . . . 16 ALA H . 16 ALA N 17306 1 10 . 1 1 17 17 ALA H H 1 . 1 1 17 17 ALA N N 15 0.752 0.070 . . . 17 ALA H . 17 ALA N 17306 1 11 . 1 1 18 18 LYS H H 1 . 1 1 18 18 LYS N N 15 0.718 0.066 . . . 18 LYS H . 18 LYS N 17306 1 12 . 1 1 19 19 ASN H H 1 . 1 1 19 19 ASN N N 15 0.668 0.058 . . . 19 ASN H . 19 ASN N 17306 1 13 . 1 1 20 20 GLY H H 1 . 1 1 20 20 GLY N N 15 0.760 0.066 . . . 20 GLY H . 20 GLY N 17306 1 14 . 1 1 21 21 HIS H H 1 . 1 1 21 21 HIS N N 15 0.733 0.065 . . . 21 HIS H . 21 HIS N 17306 1 15 . 1 1 22 22 ALA H H 1 . 1 1 22 22 ALA N N 15 0.749 0.071 . . . 22 ALA H . 22 ALA N 17306 1 16 . 1 1 23 23 GLU H H 1 . 1 1 23 23 GLU N N 15 0.750 0.069 . . . 23 GLU H . 23 GLU N 17306 1 17 . 1 1 24 24 GLU H H 1 . 1 1 24 24 GLU N N 15 0.698 0.062 . . . 24 GLU H . 24 GLU N 17306 1 18 . 1 1 25 25 VAL H H 1 . 1 1 25 25 VAL N N 15 0.741 0.068 . . . 25 VAL H . 25 VAL N 17306 1 19 . 1 1 26 26 LYS H H 1 . 1 1 26 26 LYS N N 15 0.737 0.067 . . . 26 LYS H . 26 LYS N 17306 1 20 . 1 1 27 27 LYS H H 1 . 1 1 27 27 LYS N N 15 0.705 0.065 . . . 27 LYS H . 27 LYS N 17306 1 21 . 1 1 28 28 LEU H H 1 . 1 1 28 28 LEU N N 15 0.741 0.069 . . . 28 LEU H . 28 LEU N 17306 1 22 . 1 1 29 29 LEU H H 1 . 1 1 29 29 LEU N N 15 0.505 0.047 . . . 29 LEU H . 29 LEU N 17306 1 23 . 1 1 30 30 SER H H 1 . 1 1 30 30 SER N N 15 0.752 0.066 . . . 30 SER H . 30 SER N 17306 1 24 . 1 1 31 31 LYS H H 1 . 1 1 31 31 LYS N N 15 0.635 0.054 . . . 31 LYS H . 31 LYS N 17306 1 25 . 1 1 32 32 GLY H H 1 . 1 1 32 32 GLY N N 15 0.639 0.058 . . . 32 GLY H . 32 GLY N 17306 1 26 . 1 1 33 33 ALA H H 1 . 1 1 33 33 ALA N N 15 0.580 0.054 . . . 33 ALA H . 33 ALA N 17306 1 27 . 1 1 34 34 ASP H H 1 . 1 1 34 34 ASP N N 15 0.700 0.065 . . . 34 ASP H . 34 ASP N 17306 1 28 . 1 1 35 35 VAL H H 1 . 1 1 35 35 VAL N N 15 0.776 0.071 . . . 35 VAL H . 35 VAL N 17306 1 29 . 1 1 36 36 ASN H H 1 . 1 1 36 36 ASN N N 15 0.756 0.071 . . . 36 ASN H . 36 ASN N 17306 1 30 . 1 1 37 37 ALA H H 1 . 1 1 37 37 ALA N N 15 0.777 0.076 . . . 37 ALA H . 37 ALA N 17306 1 31 . 1 1 38 38 ARG H H 1 . 1 1 38 38 ARG N N 15 0.716 0.064 . . . 38 ARG H . 38 ARG N 17306 1 32 . 1 1 39 39 SER H H 1 . 1 1 39 39 SER N N 15 0.756 0.070 . . . 39 SER H . 39 SER N 17306 1 33 . 1 1 40 40 LYS H H 1 . 1 1 40 40 LYS N N 15 0.733 0.068 . . . 40 LYS H . 40 LYS N 17306 1 34 . 1 1 41 41 ASP H H 1 . 1 1 41 41 ASP N N 15 0.712 0.063 . . . 41 ASP H . 41 ASP N 17306 1 35 . 1 1 43 43 ASN H H 1 . 1 1 43 43 ASN N N 15 0.720 0.066 . . . 43 ASN H . 43 ASN N 17306 1 36 . 1 1 44 44 THR H H 1 . 1 1 44 44 THR N N 15 0.762 0.072 . . . 44 THR H . 44 THR N 17306 1 37 . 1 1 46 46 LEU H H 1 . 1 1 46 46 LEU N N 15 0.758 0.072 . . . 46 LEU H . 46 LEU N 17306 1 38 . 1 1 47 47 HIS H H 1 . 1 1 47 47 HIS N N 15 0.790 0.073 . . . 47 HIS H . 47 HIS N 17306 1 39 . 1 1 48 48 LEU H H 1 . 1 1 48 48 LEU N N 15 0.757 0.071 . . . 48 LEU H . 48 LEU N 17306 1 40 . 1 1 49 49 ALA H H 1 . 1 1 49 49 ALA N N 15 0.726 0.067 . . . 49 ALA H . 49 ALA N 17306 1 41 . 1 1 50 50 ALA H H 1 . 1 1 50 50 ALA N N 15 0.730 0.067 . . . 50 ALA H . 50 ALA N 17306 1 42 . 1 1 51 51 LYS H H 1 . 1 1 51 51 LYS N N 15 0.719 0.063 . . . 51 LYS H . 51 LYS N 17306 1 43 . 1 1 52 52 ASN H H 1 . 1 1 52 52 ASN N N 15 0.760 0.069 . . . 52 ASN H . 52 ASN N 17306 1 44 . 1 1 53 53 GLY H H 1 . 1 1 53 53 GLY N N 15 0.733 0.065 . . . 53 GLY H . 53 GLY N 17306 1 45 . 1 1 54 54 HIS H H 1 . 1 1 54 54 HIS N N 15 0.738 0.069 . . . 54 HIS H . 54 HIS N 17306 1 46 . 1 1 55 55 ALA H H 1 . 1 1 55 55 ALA N N 15 0.761 0.068 . . . 55 ALA H . 55 ALA N 17306 1 47 . 1 1 56 56 GLU H H 1 . 1 1 56 56 GLU N N 15 0.776 0.073 . . . 56 GLU H . 56 GLU N 17306 1 48 . 1 1 57 57 ILE H H 1 . 1 1 57 57 ILE N N 15 0.723 0.066 . . . 57 ILE H . 57 ILE N 17306 1 49 . 1 1 58 58 VAL H H 1 . 1 1 58 58 VAL N N 15 0.758 0.071 . . . 58 VAL H . 58 VAL N 17306 1 50 . 1 1 59 59 LYS H H 1 . 1 1 59 59 LYS N N 15 0.736 0.068 . . . 59 LYS H . 59 LYS N 17306 1 51 . 1 1 60 60 LEU H H 1 . 1 1 60 60 LEU N N 15 0.707 0.065 . . . 60 LEU H . 60 LEU N 17306 1 52 . 1 1 61 61 LEU H H 1 . 1 1 61 61 LEU N N 15 0.743 0.069 . . . 61 LEU H . 61 LEU N 17306 1 53 . 1 1 62 62 LEU H H 1 . 1 1 62 62 LEU N N 15 0.743 0.065 . . . 62 LEU H . 62 LEU N 17306 1 54 . 1 1 63 63 ALA H H 1 . 1 1 63 63 ALA N N 15 0.738 0.066 . . . 63 ALA H . 63 ALA N 17306 1 55 . 1 1 64 64 LYS H H 1 . 1 1 64 64 LYS N N 15 0.733 0.067 . . . 64 LYS H . 64 LYS N 17306 1 56 . 1 1 65 65 GLY H H 1 . 1 1 65 65 GLY N N 15 0.681 0.061 . . . 65 GLY H . 65 GLY N 17306 1 57 . 1 1 66 66 ALA H H 1 . 1 1 66 66 ALA N N 15 0.741 0.069 . . . 66 ALA H . 66 ALA N 17306 1 58 . 1 1 67 67 ASP H H 1 . 1 1 67 67 ASP N N 15 0.729 0.066 . . . 67 ASP H . 67 ASP N 17306 1 59 . 1 1 68 68 VAL H H 1 . 1 1 68 68 VAL N N 15 0.759 0.069 . . . 68 VAL H . 68 VAL N 17306 1 60 . 1 1 69 69 ASN H H 1 . 1 1 69 69 ASN N N 15 0.703 0.065 . . . 69 ASN H . 69 ASN N 17306 1 61 . 1 1 70 70 ALA H H 1 . 1 1 70 70 ALA N N 15 0.793 0.073 . . . 70 ALA H . 70 ALA N 17306 1 62 . 1 1 71 71 ARG H H 1 . 1 1 71 71 ARG N N 15 0.715 0.065 . . . 71 ARG H . 71 ARG N 17306 1 63 . 1 1 72 72 SER H H 1 . 1 1 72 72 SER N N 15 0.744 0.067 . . . 72 SER H . 72 SER N 17306 1 64 . 1 1 73 73 LYS H H 1 . 1 1 73 73 LYS N N 15 0.753 0.069 . . . 73 LYS H . 73 LYS N 17306 1 65 . 1 1 74 74 ASP H H 1 . 1 1 74 74 ASP N N 15 0.739 0.067 . . . 74 ASP H . 74 ASP N 17306 1 66 . 1 1 75 75 GLY H H 1 . 1 1 75 75 GLY N N 15 0.726 0.069 . . . 75 GLY H . 75 GLY N 17306 1 67 . 1 1 76 76 ASN H H 1 . 1 1 76 76 ASN N N 15 0.652 0.059 . . . 76 ASN H . 76 ASN N 17306 1 68 . 1 1 77 77 THR H H 1 . 1 1 77 77 THR N N 15 0.725 0.067 . . . 77 THR H . 77 THR N 17306 1 69 . 1 1 79 79 GLU H H 1 . 1 1 79 79 GLU N N 15 0.706 0.068 . . . 79 GLU H . 79 GLU N 17306 1 70 . 1 1 80 80 HIS H H 1 . 1 1 80 80 HIS N N 15 0.729 0.069 . . . 80 HIS H . 80 HIS N 17306 1 71 . 1 1 81 81 LEU H H 1 . 1 1 81 81 LEU N N 15 0.728 0.068 . . . 81 LEU H . 81 LEU N 17306 1 72 . 1 1 82 82 ALA H H 1 . 1 1 82 82 ALA N N 15 0.726 0.066 . . . 82 ALA H . 82 ALA N 17306 1 73 . 1 1 83 83 LYS H H 1 . 1 1 83 83 LYS N N 15 0.751 0.069 . . . 83 LYS H . 83 LYS N 17306 1 74 . 1 1 84 84 LYS H H 1 . 1 1 84 84 LYS N N 15 0.741 0.070 . . . 84 LYS H . 84 LYS N 17306 1 75 . 1 1 85 85 ASN H H 1 . 1 1 85 85 ASN N N 15 0.713 0.066 . . . 85 ASN H . 85 ASN N 17306 1 76 . 1 1 86 86 GLY H H 1 . 1 1 86 86 GLY N N 15 0.730 0.064 . . . 86 GLY H . 86 GLY N 17306 1 77 . 1 1 87 87 HIS H H 1 . 1 1 87 87 HIS N N 15 0.832 0.078 . . . 87 HIS H . 87 HIS N 17306 1 78 . 1 1 88 88 HIS H H 1 . 1 1 88 88 HIS N N 15 0.747 0.069 . . . 88 HIS H . 88 HIS N 17306 1 79 . 1 1 89 89 GLU H H 1 . 1 1 89 89 GLU N N 15 0.729 0.067 . . . 89 GLU H . 89 GLU N 17306 1 80 . 1 1 90 90 ILE H H 1 . 1 1 90 90 ILE N N 15 0.679 0.062 . . . 90 ILE H . 90 ILE N 17306 1 81 . 1 1 91 91 VAL H H 1 . 1 1 91 91 VAL N N 15 0.718 0.066 . . . 91 VAL H . 91 VAL N 17306 1 82 . 1 1 92 92 LYS H H 1 . 1 1 92 92 LYS N N 15 0.667 0.061 . . . 92 LYS H . 92 LYS N 17306 1 83 . 1 1 93 93 LEU H H 1 . 1 1 93 93 LEU N N 15 0.667 0.059 . . . 93 LEU H . 93 LEU N 17306 1 84 . 1 1 94 94 LEU H H 1 . 1 1 94 94 LEU N N 15 0.714 0.065 . . . 94 LEU H . 94 LEU N 17306 1 85 . 1 1 95 95 ASP H H 1 . 1 1 95 95 ASP N N 15 0.653 0.063 . . . 95 ASP H . 95 ASP N 17306 1 86 . 1 1 96 96 ALA H H 1 . 1 1 96 96 ALA N N 15 0.483 0.044 . . . 96 ALA H . 96 ALA N 17306 1 87 . 1 1 97 97 LYS H H 1 . 1 1 97 97 LYS N N 15 0.460 0.043 . . . 97 LYS H . 97 LYS N 17306 1 88 . 1 1 99 99 ALA H H 1 . 1 1 99 99 ALA N N 15 0.371 0.033 . . . 99 ALA H . 99 ALA N 17306 1 89 . 1 1 100 100 ASP H H 1 . 1 1 100 100 ASP N N 15 0.262 0.024 . . . 100 ASP H . 100 ASP N 17306 1 90 . 1 1 101 101 VAL H H 1 . 1 1 101 101 VAL N N 15 0.217 0.020 . . . 101 VAL H . 101 VAL N 17306 1 91 . 1 1 102 102 ASN H H 1 . 1 1 102 102 ASN N N 15 0.247 0.022 . . . 102 ASN H . 102 ASN N 17306 1 92 . 1 1 103 103 ALA H H 1 . 1 1 103 103 ALA N N 15 0.203 0.020 . . . 103 ALA H . 103 ALA N 17306 1 93 . 1 1 104 104 ARG H H 1 . 1 1 104 104 ARG N N 15 0.168 0.016 . . . 104 ARG H . 104 ARG N 17306 1 94 . 1 1 105 105 SER H H 1 . 1 1 105 105 SER N N 15 0.121 0.011 . . . 105 SER H . 105 SER N 17306 1 stop_ save_ ######################################## # Heteronuclear T1 relaxation values # ######################################## save_heteronuclear_R1_list _Heteronucl_T1_list.Sf_category heteronucl_T1_relaxation _Heteronucl_T1_list.Sf_framecode heteronuclear_R1_list _Heteronucl_T1_list.Entry_ID 17306 _Heteronucl_T1_list.ID 1 _Heteronucl_T1_list.Sample_condition_list_ID 1 _Heteronucl_T1_list.Sample_condition_list_label $NR1C_conditions _Heteronucl_T1_list.Spectrometer_frequency_1H 600 _Heteronucl_T1_list.T1_coherence_type NzHz _Heteronucl_T1_list.T1_val_units s-1 _Heteronucl_T1_list.Details . _Heteronucl_T1_list.Text_data_format . _Heteronucl_T1_list.Text_data . loop_ _Heteronucl_T1_experiment.Experiment_ID _Heteronucl_T1_experiment.Experiment_name _Heteronucl_T1_experiment.Sample_ID _Heteronucl_T1_experiment.Sample_label _Heteronucl_T1_experiment.Sample_state _Heteronucl_T1_experiment.Entry_ID _Heteronucl_T1_experiment.Heteronucl_T1_list_ID 1 '2D 1H-15N HSQC' . . . 17306 1 stop_ loop_ _Heteronucl_T1_software.Software_ID _Heteronucl_T1_software.Software_label _Heteronucl_T1_software.Method_ID _Heteronucl_T1_software.Method_label _Heteronucl_T1_software.Entry_ID _Heteronucl_T1_software.Heteronucl_T1_list_ID 3 $CARA . . 17306 1 stop_ loop_ _T1.ID _T1.Assembly_atom_ID _T1.Entity_assembly_ID _T1.Entity_ID _T1.Comp_index_ID _T1.Seq_ID _T1.Comp_ID _T1.Atom_ID _T1.Atom_type _T1.Atom_isotope_number _T1.Val _T1.Val_err _T1.Resonance_ID _T1.Auth_entity_assembly_ID _T1.Auth_seq_ID _T1.Auth_comp_ID _T1.Auth_atom_ID _T1.Entry_ID _T1.Heteronucl_T1_list_ID 1 . 1 1 6 6 SER N N 15 1.506 0.033 . . 6 SER N 17306 1 2 . 1 1 7 7 LYS N N 15 1.366 0.031 . . 7 LYS N 17306 1 3 . 1 1 8 8 ASP N N 15 1.471 0.032 . . 8 ASP N 17306 1 4 . 1 1 9 9 GLY N N 15 1.476 0.032 . . 9 GLY N 17306 1 5 . 1 1 10 10 ASN N N 15 1.563 0.032 . . 10 ASN N 17306 1 6 . 1 1 11 11 THR N N 15 1.251 0.032 . . 11 THR N 17306 1 7 . 1 1 14 14 HIS N N 15 1.447 0.031 . . 14 HIS N 17306 1 8 . 1 1 15 15 ASN N N 15 1.447 0.031 . . 15 ASN N 17306 1 9 . 1 1 16 16 ALA N N 15 1.556 0.030 . . 16 ALA N 17306 1 10 . 1 1 17 17 ALA N N 15 1.481 0.031 . . 17 ALA N 17306 1 11 . 1 1 18 18 LYS N N 15 1.422 0.031 . . 18 LYS N 17306 1 12 . 1 1 19 19 ASN N N 15 1.459 0.032 . . 19 ASN N 17306 1 13 . 1 1 20 20 GLY N N 15 1.516 0.031 . . 20 GLY N 17306 1 14 . 1 1 21 21 HIS N N 15 1.465 0.031 . . 21 HIS N 17306 1 15 . 1 1 22 22 ALA N N 15 1.568 0.032 . . 22 ALA N 17306 1 16 . 1 1 23 23 GLU N N 15 1.594 0.033 . . 23 GLU N 17306 1 17 . 1 1 24 24 GLU N N 15 1.515 0.031 . . 24 GLU N 17306 1 18 . 1 1 25 25 VAL N N 15 1.526 0.032 . . 25 VAL N 17306 1 19 . 1 1 26 26 LYS N N 15 1.515 0.032 . . 26 LYS N 17306 1 20 . 1 1 27 27 LYS N N 15 1.520 0.031 . . 27 LYS N 17306 1 21 . 1 1 28 28 LEU N N 15 1.512 0.032 . . 28 LEU N 17306 1 22 . 1 1 29 29 LEU N N 15 1.402 0.030 . . 29 LEU N 17306 1 23 . 1 1 30 30 SER N N 15 1.490 0.031 . . 30 SER N 17306 1 24 . 1 1 31 31 LYS N N 15 1.408 0.033 . . 31 LYS N 17306 1 25 . 1 1 32 32 GLY N N 15 1.366 0.034 . . 32 GLY N 17306 1 26 . 1 1 33 33 ALA N N 15 1.507 0.031 . . 33 ALA N 17306 1 27 . 1 1 34 34 ASP N N 15 1.303 0.035 . . 34 ASP N 17306 1 28 . 1 1 35 35 VAL N N 15 1.450 0.032 . . 35 VAL N 17306 1 29 . 1 1 36 36 ASN N N 15 1.488 0.030 . . 36 ASN N 17306 1 30 . 1 1 37 37 ALA N N 15 1.481 0.032 . . 37 ALA N 17306 1 31 . 1 1 38 38 ARG N N 15 1.375 0.032 . . 38 ARG N 17306 1 32 . 1 1 39 39 SER N N 15 1.355 0.032 . . 39 SER N 17306 1 33 . 1 1 40 40 LYS N N 15 1.549 0.033 . . 40 LYS N 17306 1 34 . 1 1 41 41 ASP N N 15 1.386 0.031 . . 41 ASP N 17306 1 35 . 1 1 43 43 ASN N N 15 1.409 0.033 . . 43 ASN N 17306 1 36 . 1 1 44 44 THR N N 15 1.361 0.031 . . 44 THR N 17306 1 37 . 1 1 46 46 LEU N N 15 1.551 0.032 . . 46 LEU N 17306 1 38 . 1 1 47 47 HIS N N 15 1.502 0.031 . . 47 HIS N 17306 1 39 . 1 1 48 48 LEU N N 15 1.515 0.031 . . 48 LEU N 17306 1 40 . 1 1 49 49 ALA N N 15 1.566 0.029 . . 49 ALA N 17306 1 41 . 1 1 50 50 ALA N N 15 1.525 0.032 . . 50 ALA N 17306 1 42 . 1 1 51 51 LYS N N 15 1.467 0.032 . . 51 LYS N 17306 1 43 . 1 1 52 52 ASN N N 15 1.486 0.032 . . 52 ASN N 17306 1 44 . 1 1 53 53 GLY N N 15 1.523 0.031 . . 53 GLY N 17306 1 45 . 1 1 54 54 HIS N N 15 1.459 0.031 . . 54 HIS N 17306 1 46 . 1 1 55 55 ALA N N 15 1.527 0.032 . . 55 ALA N 17306 1 47 . 1 1 56 56 GLU N N 15 1.553 0.032 . . 56 GLU N 17306 1 48 . 1 1 57 57 ILE N N 15 1.455 0.032 . . 57 ILE N 17306 1 49 . 1 1 58 58 VAL N N 15 1.560 0.031 . . 58 VAL N 17306 1 50 . 1 1 59 59 LYS N N 15 1.525 0.033 . . 59 LYS N 17306 1 51 . 1 1 60 60 LEU N N 15 1.485 0.031 . . 60 LEU N 17306 1 52 . 1 1 61 61 LEU N N 15 1.525 0.032 . . 61 LEU N 17306 1 53 . 1 1 62 62 LEU N N 15 1.532 0.032 . . 62 LEU N 17306 1 54 . 1 1 63 63 ALA N N 15 1.511 0.031 . . 63 ALA N 17306 1 55 . 1 1 64 64 LYS N N 15 1.391 0.032 . . 64 LYS N 17306 1 56 . 1 1 65 65 GLY N N 15 1.358 0.032 . . 65 GLY N 17306 1 57 . 1 1 66 66 ALA N N 15 1.573 0.031 . . 66 ALA N 17306 1 58 . 1 1 67 67 ASP N N 15 1.205 0.033 . . 67 ASP N 17306 1 59 . 1 1 68 68 VAL N N 15 1.404 0.033 . . 68 VAL N 17306 1 60 . 1 1 69 69 ASN N N 15 1.518 0.031 . . 69 ASN N 17306 1 61 . 1 1 70 70 ALA N N 15 1.459 0.032 . . 70 ALA N 17306 1 62 . 1 1 71 71 ARG N N 15 1.394 0.033 . . 71 ARG N 17306 1 63 . 1 1 72 72 SER N N 15 1.425 0.033 . . 72 SER N 17306 1 64 . 1 1 73 73 LYS N N 15 1.441 0.031 . . 73 LYS N 17306 1 65 . 1 1 74 74 ASP N N 15 1.508 0.032 . . 74 ASP N 17306 1 66 . 1 1 75 75 GLY N N 15 1.431 0.031 . . 75 GLY N 17306 1 67 . 1 1 76 76 ASN N N 15 1.286 0.032 . . 76 ASN N 17306 1 68 . 1 1 77 77 THR N N 15 1.422 0.031 . . 77 THR N 17306 1 69 . 1 1 79 79 GLU N N 15 1.501 0.031 . . 79 GLU N 17306 1 70 . 1 1 80 80 HIS N N 15 1.573 0.032 . . 80 HIS N 17306 1 71 . 1 1 81 81 LEU N N 15 1.516 0.031 . . 81 LEU N 17306 1 72 . 1 1 82 82 ALA N N 15 1.535 0.032 . . 82 ALA N 17306 1 73 . 1 1 83 83 LYS N N 15 1.530 0.032 . . 83 LYS N 17306 1 74 . 1 1 84 84 LYS N N 15 1.558 0.032 . . 84 LYS N 17306 1 75 . 1 1 85 85 ASN N N 15 1.431 0.032 . . 85 ASN N 17306 1 76 . 1 1 86 86 GLY N N 15 1.491 0.030 . . 86 GLY N 17306 1 77 . 1 1 87 87 HIS N N 15 1.430 0.032 . . 87 HIS N 17306 1 78 . 1 1 88 88 HIS N N 15 1.525 0.032 . . 88 HIS N 17306 1 79 . 1 1 89 89 GLU N N 15 1.446 0.032 . . 89 GLU N 17306 1 80 . 1 1 90 90 ILE N N 15 1.410 0.031 . . 90 ILE N 17306 1 81 . 1 1 91 91 VAL N N 15 1.539 0.032 . . 91 VAL N 17306 1 82 . 1 1 92 92 LYS N N 15 1.443 0.032 . . 92 LYS N 17306 1 83 . 1 1 93 93 LEU N N 15 1.420 0.032 . . 93 LEU N 17306 1 84 . 1 1 94 94 LEU N N 15 1.484 0.032 . . 94 LEU N 17306 1 85 . 1 1 95 95 ASP N N 15 1.441 0.031 . . 95 ASP N 17306 1 86 . 1 1 96 96 ALA N N 15 1.508 0.031 . . 96 ALA N 17306 1 87 . 1 1 97 97 LYS N N 15 1.488 0.030 . . 97 LYS N 17306 1 88 . 1 1 99 99 ALA N N 15 1.599 0.032 . . 99 ALA N 17306 1 89 . 1 1 100 100 ASP N N 15 1.547 0.033 . . 100 ASP N 17306 1 90 . 1 1 101 101 VAL N N 15 1.537 0.033 . . 101 VAL N 17306 1 91 . 1 1 102 102 ASN N N 15 1.690 0.032 . . 102 ASN N 17306 1 92 . 1 1 103 103 ALA N N 15 1.691 0.032 . . 103 ALA N 17306 1 93 . 1 1 104 104 ARG N N 15 1.625 0.032 . . 104 ARG N 17306 1 94 . 1 1 105 105 SER N N 15 1.559 0.031 . . 105 SER N 17306 1 stop_ save_ ######################################## # Heteronuclear T2 relaxation values # ######################################## save_heteronuclear_R2_list _Heteronucl_T2_list.Sf_category heteronucl_T2_relaxation _Heteronucl_T2_list.Sf_framecode heteronuclear_R2_list _Heteronucl_T2_list.Entry_ID 17306 _Heteronucl_T2_list.ID 1 _Heteronucl_T2_list.Sample_condition_list_ID 1 _Heteronucl_T2_list.Sample_condition_list_label $NR1C_conditions _Heteronucl_T2_list.Temp_calibration_method methanol _Heteronucl_T2_list.Temp_control_method 'temperature compensation block' _Heteronucl_T2_list.Spectrometer_frequency_1H 600 _Heteronucl_T2_list.T2_coherence_type NzHz _Heteronucl_T2_list.T2_val_units s-1 _Heteronucl_T2_list.Rex_units . _Heteronucl_T2_list.Details . _Heteronucl_T2_list.Text_data_format . _Heteronucl_T2_list.Text_data . loop_ _Heteronucl_T2_experiment.Experiment_ID _Heteronucl_T2_experiment.Experiment_name _Heteronucl_T2_experiment.Sample_ID _Heteronucl_T2_experiment.Sample_label _Heteronucl_T2_experiment.Sample_state _Heteronucl_T2_experiment.Entry_ID _Heteronucl_T2_experiment.Heteronucl_T2_list_ID 1 '2D 1H-15N HSQC' . . . 17306 1 stop_ loop_ _Heteronucl_T2_software.Software_ID _Heteronucl_T2_software.Software_label _Heteronucl_T2_software.Method_ID _Heteronucl_T2_software.Method_label _Heteronucl_T2_software.Entry_ID _Heteronucl_T2_software.Heteronucl_T2_list_ID 3 $CARA . . 17306 1 stop_ loop_ _T2.ID _T2.Assembly_atom_ID _T2.Entity_assembly_ID _T2.Entity_ID _T2.Comp_index_ID _T2.Seq_ID _T2.Comp_ID _T2.Atom_ID _T2.Atom_type _T2.Atom_isotope_number _T2.T2_val _T2.T2_val_err _T2.Rex_val _T2.Rex_err _T2.Resonance_ID _T2.Auth_entity_assembly_ID _T2.Auth_seq_ID _T2.Auth_comp_ID _T2.Auth_atom_ID _T2.Entry_ID _T2.Heteronucl_T2_list_ID 1 . 1 1 6 6 SER N N 15 11.205 0.092 . . . . 6 SER N 17306 1 2 . 1 1 7 7 LYS N N 15 5.531 0.148 . . . . 7 LYS N 17306 1 3 . 1 1 8 8 ASP N N 15 6.926 0.118 . . . . 8 ASP N 17306 1 4 . 1 1 9 9 GLY N N 15 8.363 0.106 . . . . 9 GLY N 17306 1 5 . 1 1 10 10 ASN N N 15 7.845 0.107 . . . . 10 ASN N 17306 1 6 . 1 1 11 11 THR N N 15 9.517 0.103 . . . . 11 THR N 17306 1 7 . 1 1 14 14 HIS N N 15 10.476 0.103 . . . . 14 HIS N 17306 1 8 . 1 1 15 15 ASN N N 15 10.459 0.104 . . . . 15 ASN N 17306 1 9 . 1 1 16 16 ALA N N 15 9.774 0.110 . . . . 16 ALA N 17306 1 10 . 1 1 17 17 ALA N N 15 10.999 0.102 . . . . 17 ALA N 17306 1 11 . 1 1 18 18 LYS N N 15 10.784 0.104 . . . . 18 LYS N 17306 1 12 . 1 1 19 19 ASN N N 15 9.866 0.106 . . . . 19 ASN N 17306 1 13 . 1 1 20 20 GLY N N 15 9.364 0.103 . . . . 20 GLY N 17306 1 14 . 1 1 21 21 HIS N N 15 8.945 0.106 . . . . 21 HIS N 17306 1 15 . 1 1 22 22 ALA N N 15 8.230 0.106 . . . . 22 ALA N 17306 1 16 . 1 1 23 23 GLU N N 15 9.192 0.107 . . . . 23 GLU N 17306 1 17 . 1 1 24 24 GLU N N 15 9.364 0.107 . . . . 24 GLU N 17306 1 18 . 1 1 25 25 VAL N N 15 10.263 0.102 . . . . 25 VAL N 17306 1 19 . 1 1 26 26 LYS N N 15 10.605 0.102 . . . . 26 LYS N 17306 1 20 . 1 1 27 27 LYS N N 15 10.205 0.105 . . . . 27 LYS N 17306 1 21 . 1 1 28 28 LEU N N 15 10.083 0.104 . . . . 28 LEU N 17306 1 22 . 1 1 29 29 LEU N N 15 10.507 0.104 . . . . 29 LEU N 17306 1 23 . 1 1 30 30 SER N N 15 9.913 0.106 . . . . 30 SER N 17306 1 24 . 1 1 31 31 LYS N N 15 9.637 0.106 . . . . 31 LYS N 17306 1 25 . 1 1 32 32 GLY N N 15 7.949 0.110 . . . . 32 GLY N 17306 1 26 . 1 1 33 33 ALA N N 15 8.573 0.108 . . . . 33 ALA N 17306 1 27 . 1 1 34 34 ASP N N 15 10.143 0.107 . . . . 34 ASP N 17306 1 28 . 1 1 35 35 VAL N N 15 9.155 0.103 . . . . 35 VAL N 17306 1 29 . 1 1 36 36 ASN N N 15 10.122 0.104 . . . . 36 ASN N 17306 1 30 . 1 1 37 37 ALA N N 15 9.656 0.103 . . . . 37 ALA N 17306 1 31 . 1 1 38 38 ARG N N 15 8.641 0.111 . . . . 38 ARG N 17306 1 32 . 1 1 39 39 SER N N 15 10.618 0.099 . . . . 39 SER N 17306 1 33 . 1 1 40 40 LYS N N 15 9.027 0.102 . . . . 40 LYS N 17306 1 34 . 1 1 41 41 ASP N N 15 9.184 0.095 . . . . 41 ASP N 17306 1 35 . 1 1 43 43 ASN N N 15 11.323 0.097 . . . . 43 ASN N 17306 1 36 . 1 1 44 44 THR N N 15 9.636 0.101 . . . . 44 THR N 17306 1 37 . 1 1 46 46 LEU N N 15 10.073 0.103 . . . . 46 LEU N 17306 1 38 . 1 1 47 47 HIS N N 15 10.544 0.101 . . . . 47 HIS N 17306 1 39 . 1 1 48 48 LEU N N 15 10.539 0.101 . . . . 48 LEU N 17306 1 40 . 1 1 49 49 ALA N N 15 9.932 0.104 . . . . 49 ALA N 17306 1 41 . 1 1 50 50 ALA N N 15 10.494 0.104 . . . . 50 ALA N 17306 1 42 . 1 1 51 51 LYS N N 15 10.289 0.106 . . . . 51 LYS N 17306 1 43 . 1 1 52 52 ASN N N 15 9.807 0.107 . . . . 52 ASN N 17306 1 44 . 1 1 53 53 GLY N N 15 9.364 0.102 . . . . 53 GLY N 17306 1 45 . 1 1 54 54 HIS N N 15 9.777 0.109 . . . . 54 HIS N 17306 1 46 . 1 1 55 55 ALA N N 15 8.819 0.103 . . . . 55 ALA N 17306 1 47 . 1 1 56 56 GLU N N 15 9.827 0.097 . . . . 56 GLU N 17306 1 48 . 1 1 57 57 ILE N N 15 9.909 0.101 . . . . 57 ILE N 17306 1 49 . 1 1 58 58 VAL N N 15 10.439 0.108 . . . . 58 VAL N 17306 1 50 . 1 1 59 59 LYS N N 15 10.917 0.101 . . . . 59 LYS N 17306 1 51 . 1 1 60 60 LEU N N 15 10.810 0.104 . . . . 60 LEU N 17306 1 52 . 1 1 61 61 LEU N N 15 10.495 0.103 . . . . 61 LEU N 17306 1 53 . 1 1 62 62 LEU N N 15 10.820 0.105 . . . . 62 LEU N 17306 1 54 . 1 1 63 63 ALA N N 15 10.513 0.099 . . . . 63 ALA N 17306 1 55 . 1 1 64 64 LYS N N 15 10.336 0.109 . . . . 64 LYS N 17306 1 56 . 1 1 65 65 GLY N N 15 9.645 0.111 . . . . 65 GLY N 17306 1 57 . 1 1 66 66 ALA N N 15 9.471 0.102 . . . . 66 ALA N 17306 1 58 . 1 1 67 67 ASP N N 15 10.585 0.101 . . . . 67 ASP N 17306 1 59 . 1 1 68 68 VAL N N 15 9.469 0.105 . . . . 68 VAL N 17306 1 60 . 1 1 69 69 ASN N N 15 9.918 0.108 . . . . 69 ASN N 17306 1 61 . 1 1 70 70 ALA N N 15 9.547 0.105 . . . . 70 ALA N 17306 1 62 . 1 1 71 71 ARG N N 15 8.408 0.113 . . . . 71 ARG N 17306 1 63 . 1 1 72 72 SER N N 15 9.812 0.098 . . . . 72 SER N 17306 1 64 . 1 1 73 73 LYS N N 15 9.833 0.101 . . . . 73 LYS N 17306 1 65 . 1 1 74 74 ASP N N 15 9.243 0.101 . . . . 74 ASP N 17306 1 66 . 1 1 75 75 GLY N N 15 9.581 0.104 . . . . 75 GLY N 17306 1 67 . 1 1 76 76 ASN N N 15 10.964 0.097 . . . . 76 ASN N 17306 1 68 . 1 1 77 77 THR N N 15 10.110 0.098 . . . . 77 THR N 17306 1 69 . 1 1 79 79 GLU N N 15 10.121 0.104 . . . . 79 GLU N 17306 1 70 . 1 1 80 80 HIS N N 15 9.562 0.100 . . . . 80 HIS N 17306 1 71 . 1 1 81 81 LEU N N 15 10.593 0.108 . . . . 81 LEU N 17306 1 72 . 1 1 82 82 ALA N N 15 9.584 0.106 . . . . 82 ALA N 17306 1 73 . 1 1 83 83 LYS N N 15 10.358 0.106 . . . . 83 LYS N 17306 1 74 . 1 1 84 84 LYS N N 15 10.826 0.104 . . . . 84 LYS N 17306 1 75 . 1 1 85 85 ASN N N 15 9.765 0.100 . . . . 85 ASN N 17306 1 76 . 1 1 86 86 GLY N N 15 9.534 0.103 . . . . 86 GLY N 17306 1 77 . 1 1 87 87 HIS N N 15 9.010 0.107 . . . . 87 HIS N 17306 1 78 . 1 1 88 88 HIS N N 15 8.573 0.104 . . . . 88 HIS N 17306 1 79 . 1 1 89 89 GLU N N 15 10.259 0.102 . . . . 89 GLU N 17306 1 80 . 1 1 90 90 ILE N N 15 9.446 0.104 . . . . 90 ILE N 17306 1 81 . 1 1 91 91 VAL N N 15 9.891 0.107 . . . . 91 VAL N 17306 1 82 . 1 1 92 92 LYS N N 15 11.233 0.103 . . . . 92 LYS N 17306 1 83 . 1 1 93 93 LEU N N 15 10.878 0.105 . . . . 93 LEU N 17306 1 84 . 1 1 94 94 LEU N N 15 10.686 0.107 . . . . 94 LEU N 17306 1 85 . 1 1 95 95 ASP N N 15 9.441 0.108 . . . . 95 ASP N 17306 1 86 . 1 1 96 96 ALA N N 15 7.500 0.127 . . . . 96 ALA N 17306 1 87 . 1 1 97 97 LYS N N 15 6.879 0.129 . . . . 97 LYS N 17306 1 88 . 1 1 99 99 ALA N N 15 3.556 0.155 . . . . 99 ALA N 17306 1 89 . 1 1 100 100 ASP N N 15 3.150 0.168 . . . . 100 ASP N 17306 1 90 . 1 1 101 101 VAL N N 15 3.494 0.183 . . . . 101 VAL N 17306 1 91 . 1 1 102 102 ASN N N 15 2.543 0.170 . . . . 102 ASN N 17306 1 92 . 1 1 103 103 ALA N N 15 0.897 0.199 . . . . 103 ALA N 17306 1 93 . 1 1 104 104 ARG N N 15 0.979 0.207 . . . . 104 ARG N 17306 1 94 . 1 1 105 105 SER N N 15 0.965 0.200 . . . . 105 SER N 17306 1 stop_ save_ ###################### # Order parameters # ###################### save_order_parameter_list _Order_parameter_list.Sf_category order_parameters _Order_parameter_list.Sf_framecode order_parameter_list _Order_parameter_list.Entry_ID 17306 _Order_parameter_list.ID 1 _Order_parameter_list.Sample_condition_list_ID 1 _Order_parameter_list.Sample_condition_list_label $NR1C_conditions _Order_parameter_list.Tau_e_val_units . _Order_parameter_list.Tau_f_val_units . _Order_parameter_list.Tau_s_val_units . _Order_parameter_list.Rex_field_strength . _Order_parameter_list.Rex_val_units . _Order_parameter_list.Details . _Order_parameter_list.Text_data_format . _Order_parameter_list.Text_data . loop_ _Order_parameter_experiment.Experiment_ID _Order_parameter_experiment.Experiment_name _Order_parameter_experiment.Sample_ID _Order_parameter_experiment.Sample_label _Order_parameter_experiment.Sample_state _Order_parameter_experiment.Entry_ID _Order_parameter_experiment.Order_parameter_list_ID 1 '2D 1H-15N HSQC' . . . 17306 1 stop_ loop_ _Order_parameter_software.Software_ID _Order_parameter_software.Software_label _Order_parameter_software.Method_ID _Order_parameter_software.Method_label _Order_parameter_software.Entry_ID _Order_parameter_software.Order_parameter_list_ID 3 $CARA . . 17306 1 stop_ loop_ _Order_param.ID _Order_param.Assembly_atom_ID _Order_param.Entity_assembly_ID _Order_param.Entity_ID _Order_param.Comp_index_ID _Order_param.Seq_ID _Order_param.Comp_ID _Order_param.Atom_ID _Order_param.Atom_type _Order_param.Atom_isotope_number _Order_param.Order_param_val _Order_param.Order_param_val_fit_err _Order_param.Tau_e_val _Order_param.Tau_e_val_fit_err _Order_param.Tau_f_val _Order_param.Tau_f_val_fit_err _Order_param.Tau_s_val _Order_param.Tau_s_val_fit_err _Order_param.Rex_val _Order_param.Rex_val_fit_err _Order_param.Model_free_sum_squared_errs _Order_param.Model_fit _Order_param.Sf2_val _Order_param.Sf2_val_fit_err _Order_param.Ss2_val _Order_param.Ss2_val_fit_err _Order_param.SH2_val _Order_param.SH2_val_fit_err _Order_param.SN2_val _Order_param.SN2_val_fit_err _Order_param.Resonance_ID _Order_param.Auth_entity_assembly_ID _Order_param.Auth_seq_ID _Order_param.Auth_comp_ID _Order_param.Auth_atom_ID _Order_param.Entry_ID _Order_param.Order_parameter_list_ID 1 . 1 1 6 6 SER N N 15 0.785 0.017 . . . . . . . . . . . . . . . . . . . . 6 SER N 17306 1 2 . 1 1 7 7 LYS N N 15 0.424 0.017 . . . . . . . . . . . . . . . . . . . . 7 LYS N 17306 1 3 . 1 1 8 8 ASP N N 15 0.560 0.013 . . . . . . . . . . . . . . . . . . . . 8 ASP N 17306 1 4 . 1 1 9 9 GLY N N 15 0.608 0.011 . . . . . . . . . . . . . . . . . . . . 9 GLY N 17306 1 5 . 1 1 10 10 ASN N N 15 0.543 0.018 . . . . . . . . . . . . . . . . . . . . 10 ASN N 17306 1 6 . 1 1 11 11 THR N N 15 0.734 0.019 . . . . . . . . . . . . . . . . . . . . 11 THR N 17306 1 7 . 1 1 14 14 HIS N N 15 0.886 0.008 . . . . . . . . . . . . . . . . . . . . 14 HIS N 17306 1 8 . 1 1 15 15 ASN N N 15 0.894 0.008 . . . . . . . . . . . . . . . . . . . . 15 ASN N 17306 1 9 . 1 1 16 16 ALA N N 15 0.876 0.009 . . . . . . . . . . . . . . . . . . . . 16 ALA N 17306 1 10 . 1 1 17 17 ALA N N 15 0.876 0.018 . . . . . . . . . . . . . . . . . . . . 17 ALA N 17306 1 11 . 1 1 18 18 LYS N N 15 0.910 0.008 . . . . . . . . . . . . . . . . . . . . 18 LYS N 17306 1 12 . 1 1 19 19 ASN N N 15 0.852 0.009 . . . . . . . . . . . . . . . . . . . . 19 ASN N 17306 1 13 . 1 1 20 20 GLY N N 15 0.849 0.008 . . . . . . . . . . . . . . . . . . . . 20 GLY N 17306 1 14 . 1 1 21 21 HIS N N 15 0.809 0.008 . . . . . . . . . . . . . . . . . . . . 21 HIS N 17306 1 15 . 1 1 24 24 GLU N N 15 0.838 0.009 . . . . . . . . . . . . . . . . . . . . 24 GLU N 17306 1 16 . 1 1 25 25 VAL N N 15 0.910 0.008 . . . . . . . . . . . . . . . . . . . . 25 VAL N 17306 1 17 . 1 1 26 26 LYS N N 15 0.881 0.018 . . . . . . . . . . . . . . . . . . . . 26 LYS N 17306 1 18 . 1 1 27 27 LYS N N 15 0.909 0.008 . . . . . . . . . . . . . . . . . . . . 27 LYS N 17306 1 19 . 1 1 28 28 LEU N N 15 0.891 0.008 . . . . . . . . . . . . . . . . . . . . 28 LEU N 17306 1 20 . 1 1 29 29 LEU N N 15 0.761 0.019 . . . . . . . . . . . . . . . . . . . . 29 LEU N 17306 1 21 . 1 1 30 30 SER N N 15 0.876 0.009 . . . . . . . . . . . . . . . . . . . . 30 SER N 17306 1 22 . 1 1 31 31 LYS N N 15 0.843 0.008 . . . . . . . . . . . . . . . . . . . . 31 LYS N 17306 1 23 . 1 1 32 32 GLY N N 15 0.696 0.014 . . . . . . . . . . . . . . . . . . . . 32 GLY N 17306 1 24 . 1 1 33 33 ALA N N 15 0.749 0.012 . . . . . . . . . . . . . . . . . . . . 33 ALA N 17306 1 25 . 1 1 34 34 ASP N N 15 0.835 0.008 . . . . . . . . . . . . . . . . . . . . 34 ASP N 17306 1 26 . 1 1 35 35 VAL N N 15 0.821 0.008 . . . . . . . . . . . . . . . . . . . . 35 VAL N 17306 1 27 . 1 1 36 36 ASN N N 15 0.890 0.008 . . . . . . . . . . . . . . . . . . . . 36 ASN N 17306 1 28 . 1 1 37 37 ALA N N 15 0.862 0.009 . . . . . . . . . . . . . . . . . . . . 37 ALA N 17306 1 29 . 1 1 38 38 ARG N N 15 0.778 0.009 . . . . . . . . . . . . . . . . . . . . 38 ARG N 17306 1 30 . 1 1 39 39 SER N N 15 0.809 0.021 . . . . . . . . . . . . . . . . . . . . 39 SER N 17306 1 31 . 1 1 41 41 ASP N N 15 0.821 0.007 . . . . . . . . . . . . . . . . . . . . 41 ASP N 17306 1 32 . 1 1 43 43 ASN N N 15 0.886 0.007 . . . . . . . . . . . . . . . . . . . . 43 ASN N 17306 1 33 . 1 1 44 44 THR N N 15 0.834 0.008 . . . . . . . . . . . . . . . . . . . . 44 THR N 17306 1 34 . 1 1 46 46 LEU N N 15 0.904 0.009 . . . . . . . . . . . . . . . . . . . . 46 LEU N 17306 1 35 . 1 1 47 47 HIS N N 15 0.912 0.008 . . . . . . . . . . . . . . . . . . . . 47 HIS N 17306 1 36 . 1 1 48 48 LEU N N 15 0.917 0.008 . . . . . . . . . . . . . . . . . . . . 48 LEU N 17306 1 37 . 1 1 49 49 ALA N N 15 0.895 0.009 . . . . . . . . . . . . . . . . . . . . 49 ALA N 17306 1 38 . 1 1 50 50 ALA N N 15 0.923 0.009 . . . . . . . . . . . . . . . . . . . . 50 ALA N 17306 1 39 . 1 1 51 51 LYS N N 15 0.892 0.008 . . . . . . . . . . . . . . . . . . . . 51 LYS N 17306 1 40 . 1 1 52 52 ASN N N 15 0.866 0.009 . . . . . . . . . . . . . . . . . . . . 52 ASN N 17306 1 41 . 1 1 53 53 GLY N N 15 0.849 0.008 . . . . . . . . . . . . . . . . . . . . 53 GLY N 17306 1 42 . 1 1 54 54 HIS N N 15 0.854 0.008 . . . . . . . . . . . . . . . . . . . . 54 HIS N 17306 1 43 . 1 1 56 56 GLU N N 15 0.869 0.008 . . . . . . . . . . . . . . . . . . . . 56 GLU N 17306 1 44 . 1 1 57 57 ILE N N 15 0.876 0.008 . . . . . . . . . . . . . . . . . . . . 57 ILE N 17306 1 45 . 1 1 58 58 VAL N N 15 0.924 0.009 . . . . . . . . . . . . . . . . . . . . 58 VAL N 17306 1 46 . 1 1 59 59 LYS N N 15 0.887 0.019 . . . . . . . . . . . . . . . . . . . . 59 LYS N 17306 1 47 . 1 1 60 60 LEU N N 15 0.934 0.008 . . . . . . . . . . . . . . . . . . . . 60 LEU N 17306 1 48 . 1 1 61 61 LEU N N 15 0.883 0.019 . . . . . . . . . . . . . . . . . . . . 61 LEU N 17306 1 49 . 1 1 62 62 LEU N N 15 0.891 0.019 . . . . . . . . . . . . . . . . . . . . 62 LEU N 17306 1 50 . 1 1 63 63 ALA N N 15 0.917 0.008 . . . . . . . . . . . . . . . . . . . . 63 ALA N 17306 1 51 . 1 1 64 64 LYS N N 15 0.887 0.009 . . . . . . . . . . . . . . . . . . . . 64 LYS N 17306 1 52 . 1 1 65 65 GLY N N 15 0.847 0.009 . . . . . . . . . . . . . . . . . . . . 65 GLY N 17306 1 53 . 1 1 66 66 ALA N N 15 0.864 0.008 . . . . . . . . . . . . . . . . . . . . 66 ALA N 17306 1 54 . 1 1 67 67 ASP N N 15 0.822 0.008 . . . . . . . . . . . . . . . . . . . . 67 ASP N 17306 1 55 . 1 1 68 68 VAL N N 15 0.812 0.008 . . . . . . . . . . . . . . . . . . . . 68 VAL N 17306 1 56 . 1 1 69 69 ASN N N 15 0.889 0.009 . . . . . . . . . . . . . . . . . . . . 69 ASN N 17306 1 57 . 1 1 70 70 ALA N N 15 0.845 0.008 . . . . . . . . . . . . . . . . . . . . 70 ALA N 17306 1 58 . 1 1 72 72 SER N N 15 0.855 0.008 . . . . . . . . . . . . . . . . . . . . 72 SER N 17306 1 59 . 1 1 73 73 LYS N N 15 0.845 0.008 . . . . . . . . . . . . . . . . . . . . 73 LYS N 17306 1 60 . 1 1 74 74 ASP N N 15 0.835 0.008 . . . . . . . . . . . . . . . . . . . . 74 ASP N 17306 1 61 . 1 1 75 75 GLY N N 15 0.838 0.008 . . . . . . . . . . . . . . . . . . . . 75 GLY N 17306 1 62 . 1 1 76 76 ASN N N 15 0.862 0.007 . . . . . . . . . . . . . . . . . . . . 76 ASN N 17306 1 63 . 1 1 77 77 THR N N 15 0.864 0.008 . . . . . . . . . . . . . . . . . . . . 77 THR N 17306 1 64 . 1 1 79 79 GLU N N 15 0.899 0.008 . . . . . . . . . . . . . . . . . . . . 79 GLU N 17306 1 65 . 1 1 80 80 HIS N N 15 0.862 0.008 . . . . . . . . . . . . . . . . . . . . 80 HIS N 17306 1 66 . 1 1 81 81 LEU N N 15 0.932 0.008 . . . . . . . . . . . . . . . . . . . . 81 LEU N 17306 1 67 . 1 1 82 82 ALA N N 15 0.860 0.009 . . . . . . . . . . . . . . . . . . . . 82 ALA N 17306 1 68 . 1 1 83 83 LYS N N 15 0.918 0.008 . . . . . . . . . . . . . . . . . . . . 83 LYS N 17306 1 69 . 1 1 84 84 LYS N N 15 0.951 0.008 . . . . . . . . . . . . . . . . . . . . 84 LYS N 17306 1 70 . 1 1 85 85 ASN N N 15 0.853 0.008 . . . . . . . . . . . . . . . . . . . . 85 ASN N 17306 1 71 . 1 1 86 86 GLY N N 15 0.858 0.008 . . . . . . . . . . . . . . . . . . . . 86 GLY N 17306 1 72 . 1 1 87 87 HIS N N 15 0.803 0.009 . . . . . . . . . . . . . . . . . . . . 87 HIS N 17306 1 73 . 1 1 89 89 GLU N N 15 0.892 0.008 . . . . . . . . . . . . . . . . . . . . 89 GLU N 17306 1 74 . 1 1 90 90 ILE N N 15 0.842 0.008 . . . . . . . . . . . . . . . . . . . . 90 ILE N 17306 1 75 . 1 1 91 91 VAL N N 15 0.882 0.008 . . . . . . . . . . . . . . . . . . . . 91 VAL N 17306 1 76 . 1 1 92 92 LYS N N 15 0.820 0.021 . . . . . . . . . . . . . . . . . . . . 92 LYS N 17306 1 77 . 1 1 93 93 LEU N N 15 0.920 0.008 . . . . . . . . . . . . . . . . . . . . 93 LEU N 17306 1 78 . 1 1 94 94 LEU N N 15 0.866 0.020 . . . . . . . . . . . . . . . . . . . . 94 LEU N 17306 1 79 . 1 1 95 95 ASP N N 15 0.842 0.008 . . . . . . . . . . . . . . . . . . . . 95 ASP N 17306 1 80 . 1 1 96 96 ALA N N 15 0.584 0.015 . . . . . . . . . . . . . . . . . . . . 96 ALA N 17306 1 81 . 1 1 97 97 LYS N N 15 0.523 0.015 . . . . . . . . . . . . . . . . . . . . 97 LYS N 17306 1 82 . 1 1 99 99 ALA N N 15 0.164 0.018 . . . . . . . . . . . . . . . . . . . . 99 ALA N 17306 1 83 . 1 1 100 100 ASP N N 15 0.129 0.020 . . . . . . . . . . . . . . . . . . . . 100 ASP N 17306 1 84 . 1 1 101 101 VAL N N 15 0.144 0.018 . . . . . . . . . . . . . . . . . . . . 101 VAL N 17306 1 85 . 1 1 102 102 ASN N N 15 0.040 0.019 . . . . . . . . . . . . . . . . . . . . 102 ASN N 17306 1 stop_ save_