data_17723 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17723 _Entry.Title ; Chemical Shift Assignment and Solution Structure of ChR145 from Cytophaga Hutchinsonii. Northeast Structural Genomics Consortium Target ChR145. ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2011-06-21 _Entry.Accession_date 2011-06-21 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _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 Hsiau-Wei Lee . . . 17723 2 Dan Lee . . . 17723 3 Colleen Ciccosanti . . . 17723 4 Lei Mao . R. . 17723 5 R. Nair . . . 17723 6 Burkhard Rost . . . 17723 7 Thomas Acton . B. . 17723 8 Rong Xiao . . . 17723 9 John Everett . K. . 17723 10 Gaetano Montelione . T. . 17723 11 James Prestegard . H. . 17723 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'PSI, Protein Structure Initiative' 'Northeast Structural Genomics Consortium' . 17723 2 'not applicable' 'The University of Georgia' . 17723 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID chr145 . 17723 'start domains' . 17723 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17723 RDCs 5 17723 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 616 17723 '15N chemical shifts' 152 17723 '1H chemical shifts' 931 17723 'residual dipolar couplings' 328 17723 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2012-10-12 2011-06-21 update BMRB 'update RDC values for NH_PEG' 17723 1 . . 2011-08-16 2011-06-21 original author 'original release' 17723 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2LEQ 'BMRB Entry Tracking System' 17723 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 17723 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'Solution Structure of ChR145.' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Not known' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Hsiau-Wei Lee . . . 17723 1 2 Gaetano Montelione . . . 17723 1 3 James Prestegard . . . 17723 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17723 _Assembly.ID 1 _Assembly.Name ChR145 _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 ChR145 1 $ChR145 A . yes native no no . . . 17723 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_ChR145 _Entity.Sf_category entity _Entity.Sf_framecode ChR145 _Entity.Entry_ID 17723 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name ChR145 _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 ; MEIKLIAQVKTVINAPIEKV WEALVNPEIIKEYMFGTTVV SDWKEGSQIVWKGEWKGKAY EDKGTILQFNERSILQYSHF SPLTGKPDLPENYHVVTITL TALKKGVEVELTQDNNETEK EQKHSEDNWNTMLEGLKKFL ENKVSA ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'LEHHHHHH are part of the C-terminal and not included in the coordinate.' _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 146 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 16816.273 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2LEQ . "Chemical Shift Assignment And Solution Structure Of Chr145 From Cytophaga Hutchinsonii, Northeast Structural Genomics Consortiu" . . . . . 100.00 146 100.00 100.00 1.89e-99 . . . . 17723 1 2 no GB ABG59807 . "conserved hypothetical protein [Cytophaga hutchinsonii ATCC 33406]" . . . . . 100.00 146 100.00 100.00 1.89e-99 . . . . 17723 1 3 no REF WP_011585917 . "ATPase [Cytophaga hutchinsonii]" . . . . . 100.00 146 100.00 100.00 1.89e-99 . . . . 17723 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 17723 1 2 . GLU . 17723 1 3 . ILE . 17723 1 4 . LYS . 17723 1 5 . LEU . 17723 1 6 . ILE . 17723 1 7 . ALA . 17723 1 8 . GLN . 17723 1 9 . VAL . 17723 1 10 . LYS . 17723 1 11 . THR . 17723 1 12 . VAL . 17723 1 13 . ILE . 17723 1 14 . ASN . 17723 1 15 . ALA . 17723 1 16 . PRO . 17723 1 17 . ILE . 17723 1 18 . GLU . 17723 1 19 . LYS . 17723 1 20 . VAL . 17723 1 21 . TRP . 17723 1 22 . GLU . 17723 1 23 . ALA . 17723 1 24 . LEU . 17723 1 25 . VAL . 17723 1 26 . ASN . 17723 1 27 . PRO . 17723 1 28 . GLU . 17723 1 29 . ILE . 17723 1 30 . ILE . 17723 1 31 . LYS . 17723 1 32 . GLU . 17723 1 33 . TYR . 17723 1 34 . MET . 17723 1 35 . PHE . 17723 1 36 . GLY . 17723 1 37 . THR . 17723 1 38 . THR . 17723 1 39 . VAL . 17723 1 40 . VAL . 17723 1 41 . SER . 17723 1 42 . ASP . 17723 1 43 . TRP . 17723 1 44 . LYS . 17723 1 45 . GLU . 17723 1 46 . GLY . 17723 1 47 . SER . 17723 1 48 . GLN . 17723 1 49 . ILE . 17723 1 50 . VAL . 17723 1 51 . TRP . 17723 1 52 . LYS . 17723 1 53 . GLY . 17723 1 54 . GLU . 17723 1 55 . TRP . 17723 1 56 . LYS . 17723 1 57 . GLY . 17723 1 58 . LYS . 17723 1 59 . ALA . 17723 1 60 . TYR . 17723 1 61 . GLU . 17723 1 62 . ASP . 17723 1 63 . LYS . 17723 1 64 . GLY . 17723 1 65 . THR . 17723 1 66 . ILE . 17723 1 67 . LEU . 17723 1 68 . GLN . 17723 1 69 . PHE . 17723 1 70 . ASN . 17723 1 71 . GLU . 17723 1 72 . ARG . 17723 1 73 . SER . 17723 1 74 . ILE . 17723 1 75 . LEU . 17723 1 76 . GLN . 17723 1 77 . TYR . 17723 1 78 . SER . 17723 1 79 . HIS . 17723 1 80 . PHE . 17723 1 81 . SER . 17723 1 82 . PRO . 17723 1 83 . LEU . 17723 1 84 . THR . 17723 1 85 . GLY . 17723 1 86 . LYS . 17723 1 87 . PRO . 17723 1 88 . ASP . 17723 1 89 . LEU . 17723 1 90 . PRO . 17723 1 91 . GLU . 17723 1 92 . ASN . 17723 1 93 . TYR . 17723 1 94 . HIS . 17723 1 95 . VAL . 17723 1 96 . VAL . 17723 1 97 . THR . 17723 1 98 . ILE . 17723 1 99 . THR . 17723 1 100 . LEU . 17723 1 101 . THR . 17723 1 102 . ALA . 17723 1 103 . LEU . 17723 1 104 . LYS . 17723 1 105 . LYS . 17723 1 106 . GLY . 17723 1 107 . VAL . 17723 1 108 . GLU . 17723 1 109 . VAL . 17723 1 110 . GLU . 17723 1 111 . LEU . 17723 1 112 . THR . 17723 1 113 . GLN . 17723 1 114 . ASP . 17723 1 115 . ASN . 17723 1 116 . ASN . 17723 1 117 . GLU . 17723 1 118 . THR . 17723 1 119 . GLU . 17723 1 120 . LYS . 17723 1 121 . GLU . 17723 1 122 . GLN . 17723 1 123 . LYS . 17723 1 124 . HIS . 17723 1 125 . SER . 17723 1 126 . GLU . 17723 1 127 . ASP . 17723 1 128 . ASN . 17723 1 129 . TRP . 17723 1 130 . ASN . 17723 1 131 . THR . 17723 1 132 . MET . 17723 1 133 . LEU . 17723 1 134 . GLU . 17723 1 135 . GLY . 17723 1 136 . LEU . 17723 1 137 . LYS . 17723 1 138 . LYS . 17723 1 139 . PHE . 17723 1 140 . LEU . 17723 1 141 . GLU . 17723 1 142 . ASN . 17723 1 143 . LYS . 17723 1 144 . VAL . 17723 1 145 . SER . 17723 1 146 . ALA . 17723 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 17723 1 . GLU 2 2 17723 1 . ILE 3 3 17723 1 . LYS 4 4 17723 1 . LEU 5 5 17723 1 . ILE 6 6 17723 1 . ALA 7 7 17723 1 . GLN 8 8 17723 1 . VAL 9 9 17723 1 . LYS 10 10 17723 1 . THR 11 11 17723 1 . VAL 12 12 17723 1 . ILE 13 13 17723 1 . ASN 14 14 17723 1 . ALA 15 15 17723 1 . PRO 16 16 17723 1 . ILE 17 17 17723 1 . GLU 18 18 17723 1 . LYS 19 19 17723 1 . VAL 20 20 17723 1 . TRP 21 21 17723 1 . GLU 22 22 17723 1 . ALA 23 23 17723 1 . LEU 24 24 17723 1 . VAL 25 25 17723 1 . ASN 26 26 17723 1 . PRO 27 27 17723 1 . GLU 28 28 17723 1 . ILE 29 29 17723 1 . ILE 30 30 17723 1 . LYS 31 31 17723 1 . GLU 32 32 17723 1 . TYR 33 33 17723 1 . MET 34 34 17723 1 . PHE 35 35 17723 1 . GLY 36 36 17723 1 . THR 37 37 17723 1 . THR 38 38 17723 1 . VAL 39 39 17723 1 . VAL 40 40 17723 1 . SER 41 41 17723 1 . ASP 42 42 17723 1 . TRP 43 43 17723 1 . LYS 44 44 17723 1 . GLU 45 45 17723 1 . GLY 46 46 17723 1 . SER 47 47 17723 1 . GLN 48 48 17723 1 . ILE 49 49 17723 1 . VAL 50 50 17723 1 . TRP 51 51 17723 1 . LYS 52 52 17723 1 . GLY 53 53 17723 1 . GLU 54 54 17723 1 . TRP 55 55 17723 1 . LYS 56 56 17723 1 . GLY 57 57 17723 1 . LYS 58 58 17723 1 . ALA 59 59 17723 1 . TYR 60 60 17723 1 . GLU 61 61 17723 1 . ASP 62 62 17723 1 . LYS 63 63 17723 1 . GLY 64 64 17723 1 . THR 65 65 17723 1 . ILE 66 66 17723 1 . LEU 67 67 17723 1 . GLN 68 68 17723 1 . PHE 69 69 17723 1 . ASN 70 70 17723 1 . GLU 71 71 17723 1 . ARG 72 72 17723 1 . SER 73 73 17723 1 . ILE 74 74 17723 1 . LEU 75 75 17723 1 . GLN 76 76 17723 1 . TYR 77 77 17723 1 . SER 78 78 17723 1 . HIS 79 79 17723 1 . PHE 80 80 17723 1 . SER 81 81 17723 1 . PRO 82 82 17723 1 . LEU 83 83 17723 1 . THR 84 84 17723 1 . GLY 85 85 17723 1 . LYS 86 86 17723 1 . PRO 87 87 17723 1 . ASP 88 88 17723 1 . LEU 89 89 17723 1 . PRO 90 90 17723 1 . GLU 91 91 17723 1 . ASN 92 92 17723 1 . TYR 93 93 17723 1 . HIS 94 94 17723 1 . VAL 95 95 17723 1 . VAL 96 96 17723 1 . THR 97 97 17723 1 . ILE 98 98 17723 1 . THR 99 99 17723 1 . LEU 100 100 17723 1 . THR 101 101 17723 1 . ALA 102 102 17723 1 . LEU 103 103 17723 1 . LYS 104 104 17723 1 . LYS 105 105 17723 1 . GLY 106 106 17723 1 . VAL 107 107 17723 1 . GLU 108 108 17723 1 . VAL 109 109 17723 1 . GLU 110 110 17723 1 . LEU 111 111 17723 1 . THR 112 112 17723 1 . GLN 113 113 17723 1 . ASP 114 114 17723 1 . ASN 115 115 17723 1 . ASN 116 116 17723 1 . GLU 117 117 17723 1 . THR 118 118 17723 1 . GLU 119 119 17723 1 . LYS 120 120 17723 1 . GLU 121 121 17723 1 . GLN 122 122 17723 1 . LYS 123 123 17723 1 . HIS 124 124 17723 1 . SER 125 125 17723 1 . GLU 126 126 17723 1 . ASP 127 127 17723 1 . ASN 128 128 17723 1 . TRP 129 129 17723 1 . ASN 130 130 17723 1 . THR 131 131 17723 1 . MET 132 132 17723 1 . LEU 133 133 17723 1 . GLU 134 134 17723 1 . GLY 135 135 17723 1 . LEU 136 136 17723 1 . LYS 137 137 17723 1 . LYS 138 138 17723 1 . PHE 139 139 17723 1 . LEU 140 140 17723 1 . GLU 141 141 17723 1 . ASN 142 142 17723 1 . LYS 143 143 17723 1 . VAL 144 144 17723 1 . SER 145 145 17723 1 . ALA 146 146 17723 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 17723 _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 $ChR145 . 985 plasmid . 'Cytophaga Hutchinsonii' 'Cytophaga Hutchinsonii' . . Bacteria . Cytophaga Hutchinsonii BL21(DE3)+Magic . . . . . . . . . . . . . . . CHU_2554 . . . . 17723 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 17723 _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 $ChR145 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . BL21+DE3 . . . . . . 17723 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_NC1 _Sample.Sf_category sample _Sample.Sf_framecode NC1 _Sample.Entry_ID 17723 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'Solution sample for 3D experiments' _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 ChR145 '[U-100% 13C; U-100% 15N]' . . 1 $ChR145 . . 0.85 . . mM . . . . 17723 1 2 'sodium azide' 'natural abundance' . . . . . . 0.2 . . % . . . . 17723 1 3 DTT 'natural abundance' . . . . . . 5 . . mM . . . . 17723 1 4 CaCl2 'natural abundance' . . . . . . 5 . . mM . . . . 17723 1 5 'sodium chloride' 'natural abundance' . . . . . . 200 . . mM . . . . 17723 1 6 MES 'natural abundance' . . . . . . 20 . . mM . . . . 17723 1 7 H2O 'natural abundance' . . . . . . 95 . . % . . . . 17723 1 8 D2O 'natural abundance' . . . . . . 5 . . % . . . . 17723 1 stop_ save_ save_Phage _Sample.Sf_category sample _Sample.Sf_framecode Phage _Sample.Entry_ID 17723 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'Solution sample Phage RDC' _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 ChR145 '[U-100% 13C; U-100% 15N]' . . 1 $ChR145 . . 0.57 . . mM . . . . 17723 2 2 'sodium azide' 'natural abundance' . . . . . . 0.2 . . % . . . . 17723 2 3 DTT 'natural abundance' . . . . . . 5 . . mM . . . . 17723 2 4 CaCl2 'natural abundance' . . . . . . 5 . . mM . . . . 17723 2 5 'sodium chloride' 'natural abundance' . . . . . . 200 . . mM . . . . 17723 2 6 MES 'natural abundance' . . . . . . 20 . . mM . . . . 17723 2 7 'Pf1 phage' 'natural abundance' . . . . . . 12.5 . . mg . . . . 17723 2 8 H2O 'natural abundance' . . . . . . 95 . . % . . . . 17723 2 9 D2O 'natural abundance' . . . . . . 5 . . % . . . . 17723 2 stop_ save_ save_Peg _Sample.Sf_category sample _Sample.Sf_framecode Peg _Sample.Entry_ID 17723 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'Solution sample Peg RDC' _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 ChR145 '[U-100% 13C; U-100% 15N]' . . 1 $ChR145 . . 0.57 . . mM . . . . 17723 3 2 'sodium azide' 'natural abundance' . . . . . . 0.2 . . % . . . . 17723 3 3 DTT 'natural abundance' . . . . . . 5 . . mM . . . . 17723 3 4 CaCl2 'natural abundance' . . . . . . 5 . . mM . . . . 17723 3 5 'sodium chloride' 'natural abundance' . . . . . . 200 . . mM . . . . 17723 3 6 MES 'natural abundance' . . . . . . 20 . . mM . . . . 17723 3 7 C12E5/Hexanol 'natural abundance' . . . . . . 4 . . % . . . . 17723 3 8 H2O 'natural abundance' . . . . . . 95 . . % . . . . 17723 3 9 D2O 'natural abundance' . . . . . . 5 . . % . . . . 17723 3 stop_ save_ save_Neutral_Gel _Sample.Sf_category sample _Sample.Sf_framecode Neutral_Gel _Sample.Entry_ID 17723 _Sample.ID 4 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'Solution sample for Neutral Stretch Gel RDC' _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 ChR145 '[U-100% 13C; U-100% 15N]' . . 1 $ChR145 . . 0.85 . . mM . . . . 17723 4 2 'sodium azide' 'natural abundance' . . . . . . 0.2 . . % . . . . 17723 4 3 DTT 'natural abundance' . . . . . . 5 . . mM . . . . 17723 4 4 CaCl2 'natural abundance' . . . . . . 5 . . mM . . . . 17723 4 5 'sodium chloride' 'natural abundance' . . . . . . 200 . . mM . . . . 17723 4 6 MES 'natural abundance' . . . . . . 20 . . mM . . . . 17723 4 7 Polyacrylamide 'natural abundance' . . . . . . 5 . . % . . . . 17723 4 8 H2O 'natural abundance' . . . . . . 95 . . % . . . . 17723 4 9 D2O 'natural abundance' . . . . . . 5 . . % . . . . 17723 4 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 17723 _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' 200 . mM 17723 1 pH 6.5 . pH 17723 1 pressure 1 . atm 17723 1 temperature 298 . K 17723 1 stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 17723 _Software.ID 1 _Software.Name CYANA _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 17723 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 17723 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 17723 _Software.ID 2 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 17723 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 17723 2 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 17723 _Software.ID 3 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 17723 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 17723 3 'peak picking' 17723 3 stop_ save_ save_X-PLOR_NIH _Software.Sf_category software _Software.Sf_framecode X-PLOR_NIH _Software.Entry_ID 17723 _Software.ID 4 _Software.Name 'X-PLOR NIH' _Software.Version 2.18 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 17723 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 17723 4 stop_ save_ save_PSVS _Software.Sf_category software _Software.Sf_framecode PSVS _Software.Entry_ID 17723 _Software.ID 5 _Software.Name PSVS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bhattacharya and Montelione' . . 17723 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID Validation 17723 5 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 17723 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 17723 _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 Varian INOVA . 600 . . . 17723 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 17723 _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 $NC1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17723 1 2 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 1 $NC1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17723 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $NC1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17723 1 4 '3D C(CO)NH' no . . . . . . . . . . 1 $NC1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17723 1 5 '3D HNCO' no . . . . . . . . . . 1 $NC1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17723 1 6 '3D HNCACB' no . . . . . . . . . . 1 $NC1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17723 1 7 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $NC1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17723 1 8 '3D H(CCO)NH' no . . . . . . . . . . 1 $NC1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17723 1 9 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $NC1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17723 1 10 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $NC1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17723 1 11 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $NC1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17723 1 12 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 1 $NC1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17723 1 13 'NH J-Modulation' no . . . . . . . . . . 2 $Phage anisotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17723 1 14 'NH J-Modulation' no . . . . . . . . . . 3 $Peg anisotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17723 1 15 'NH J-Modulation' no . . . . . . . . . . 4 $Neutral_Gel anisotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17723 1 16 'NC J-Modulation' no . . . . . . . . . . 2 $Phage anisotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17723 1 17 'NC J-Modulation' no . . . . . . . . . . 3 $Peg anisotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17723 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 17723 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 17723 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 17723 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 17723 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 17723 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 17723 1 2 '2D 1H-13C HSQC aromatic' . . . 17723 1 3 '3D CBCA(CO)NH' . . . 17723 1 5 '3D HNCO' . . . 17723 1 6 '3D HNCACB' . . . 17723 1 9 '3D HCCH-TOCSY' . . . 17723 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 2 2 GLU H H 1 8.036 0.000 . 1 . . . . 2 GLU H . 17723 1 2 . 1 1 2 2 GLU HA H 1 4.405 0.003 . 1 . . . . 2 GLU HA . 17723 1 3 . 1 1 2 2 GLU HB2 H 1 1.988 0.000 . 2 . . . . 2 GLU QB . 17723 1 4 . 1 1 2 2 GLU HB3 H 1 1.988 0.000 . 2 . . . . 2 GLU QB . 17723 1 5 . 1 1 2 2 GLU HG2 H 1 2.261 0.000 . 2 . . . . 2 GLU QG . 17723 1 6 . 1 1 2 2 GLU HG3 H 1 2.261 0.000 . 2 . . . . 2 GLU QG . 17723 1 7 . 1 1 2 2 GLU C C 13 176.150 0.000 . 1 . . . . 2 GLU C . 17723 1 8 . 1 1 2 2 GLU CA C 13 56.466 0.030 . 1 . . . . 2 GLU CA . 17723 1 9 . 1 1 2 2 GLU CB C 13 30.506 0.048 . 1 . . . . 2 GLU CB . 17723 1 10 . 1 1 2 2 GLU CG C 13 36.261 0.049 . 1 . . . . 2 GLU CG . 17723 1 11 . 1 1 2 2 GLU N N 15 125.327 0.000 . 1 . . . . 2 GLU N . 17723 1 12 . 1 1 3 3 ILE H H 1 8.381 0.001 . 1 . . . . 3 ILE H . 17723 1 13 . 1 1 3 3 ILE HA H 1 4.168 0.003 . 1 . . . . 3 ILE HA . 17723 1 14 . 1 1 3 3 ILE HB H 1 1.851 0.002 . 1 . . . . 3 ILE HB . 17723 1 15 . 1 1 3 3 ILE HG12 H 1 1.485 0.004 . 2 . . . . 3 ILE HG12 . 17723 1 16 . 1 1 3 3 ILE HG13 H 1 1.187 0.001 . 2 . . . . 3 ILE HG13 . 17723 1 17 . 1 1 3 3 ILE HG21 H 1 0.903 0.003 . 1 . . . . 3 ILE QG2 . 17723 1 18 . 1 1 3 3 ILE HG22 H 1 0.903 0.003 . 1 . . . . 3 ILE QG2 . 17723 1 19 . 1 1 3 3 ILE HG23 H 1 0.903 0.003 . 1 . . . . 3 ILE QG2 . 17723 1 20 . 1 1 3 3 ILE HD11 H 1 0.859 0.002 . 1 . . . . 3 ILE QD1 . 17723 1 21 . 1 1 3 3 ILE HD12 H 1 0.859 0.002 . 1 . . . . 3 ILE QD1 . 17723 1 22 . 1 1 3 3 ILE HD13 H 1 0.859 0.002 . 1 . . . . 3 ILE QD1 . 17723 1 23 . 1 1 3 3 ILE C C 13 176.129 0.015 . 1 . . . . 3 ILE C . 17723 1 24 . 1 1 3 3 ILE CA C 13 61.108 0.044 . 1 . . . . 3 ILE CA . 17723 1 25 . 1 1 3 3 ILE CB C 13 38.866 0.030 . 1 . . . . 3 ILE CB . 17723 1 26 . 1 1 3 3 ILE CG1 C 13 27.114 0.035 . 1 . . . . 3 ILE CG1 . 17723 1 27 . 1 1 3 3 ILE CG2 C 13 17.572 0.014 . 1 . . . . 3 ILE CG2 . 17723 1 28 . 1 1 3 3 ILE CD1 C 13 12.520 0.050 . 1 . . . . 3 ILE CD1 . 17723 1 29 . 1 1 3 3 ILE N N 15 123.012 0.014 . 1 . . . . 3 ILE N . 17723 1 30 . 1 1 4 4 LYS H H 1 8.376 0.001 . 1 . . . . 4 LYS H . 17723 1 31 . 1 1 4 4 LYS HA H 1 4.448 0.008 . 1 . . . . 4 LYS HA . 17723 1 32 . 1 1 4 4 LYS HB2 H 1 1.823 0.000 . 2 . . . . 4 LYS QB . 17723 1 33 . 1 1 4 4 LYS HB3 H 1 1.823 0.000 . 2 . . . . 4 LYS QB . 17723 1 34 . 1 1 4 4 LYS HG2 H 1 1.465 0.000 . 2 . . . . 4 LYS QG . 17723 1 35 . 1 1 4 4 LYS HG3 H 1 1.465 0.000 . 2 . . . . 4 LYS QG . 17723 1 36 . 1 1 4 4 LYS HD2 H 1 1.640 0.000 . 2 . . . . 4 LYS QD . 17723 1 37 . 1 1 4 4 LYS HD3 H 1 1.640 0.000 . 2 . . . . 4 LYS QD . 17723 1 38 . 1 1 4 4 LYS HE2 H 1 2.972 0.008 . 2 . . . . 4 LYS QE . 17723 1 39 . 1 1 4 4 LYS HE3 H 1 2.972 0.008 . 2 . . . . 4 LYS QE . 17723 1 40 . 1 1 4 4 LYS C C 13 176.204 0.033 . 1 . . . . 4 LYS C . 17723 1 41 . 1 1 4 4 LYS CA C 13 55.618 0.013 . 1 . . . . 4 LYS CA . 17723 1 42 . 1 1 4 4 LYS CB C 13 33.389 0.015 . 1 . . . . 4 LYS CB . 17723 1 43 . 1 1 4 4 LYS CG C 13 25.074 0.049 . 1 . . . . 4 LYS CG . 17723 1 44 . 1 1 4 4 LYS CD C 13 28.911 0.037 . 1 . . . . 4 LYS CD . 17723 1 45 . 1 1 4 4 LYS CE C 13 42.485 0.008 . 1 . . . . 4 LYS CE . 17723 1 46 . 1 1 4 4 LYS N N 15 124.551 0.018 . 1 . . . . 4 LYS N . 17723 1 47 . 1 1 5 5 LEU H H 1 8.602 0.001 . 1 . . . . 5 LEU H . 17723 1 48 . 1 1 5 5 LEU HA H 1 4.497 0.006 . 1 . . . . 5 LEU HA . 17723 1 49 . 1 1 5 5 LEU HB2 H 1 1.631 0.004 . 2 . . . . 5 LEU HB2 . 17723 1 50 . 1 1 5 5 LEU HB3 H 1 1.322 0.004 . 2 . . . . 5 LEU HB3 . 17723 1 51 . 1 1 5 5 LEU HG H 1 1.559 0.003 . 1 . . . . 5 LEU HG . 17723 1 52 . 1 1 5 5 LEU HD11 H 1 0.659 0.014 . 1 . . . . 5 LEU QD1 . 17723 1 53 . 1 1 5 5 LEU HD12 H 1 0.659 0.014 . 1 . . . . 5 LEU QD1 . 17723 1 54 . 1 1 5 5 LEU HD13 H 1 0.659 0.014 . 1 . . . . 5 LEU QD1 . 17723 1 55 . 1 1 5 5 LEU HD21 H 1 0.782 0.002 . 1 . . . . 5 LEU QD2 . 17723 1 56 . 1 1 5 5 LEU HD22 H 1 0.782 0.002 . 1 . . . . 5 LEU QD2 . 17723 1 57 . 1 1 5 5 LEU HD23 H 1 0.782 0.002 . 1 . . . . 5 LEU QD2 . 17723 1 58 . 1 1 5 5 LEU C C 13 177.341 0.000 . 1 . . . . 5 LEU C . 17723 1 59 . 1 1 5 5 LEU CA C 13 54.579 0.012 . 1 . . . . 5 LEU CA . 17723 1 60 . 1 1 5 5 LEU CB C 13 42.782 0.043 . 1 . . . . 5 LEU CB . 17723 1 61 . 1 1 5 5 LEU CG C 13 26.879 0.128 . 1 . . . . 5 LEU CG . 17723 1 62 . 1 1 5 5 LEU CD1 C 13 25.046 0.072 . 2 . . . . 5 LEU CD1 . 17723 1 63 . 1 1 5 5 LEU CD2 C 13 22.778 0.057 . 2 . . . . 5 LEU CD2 . 17723 1 64 . 1 1 5 5 LEU N N 15 121.619 0.032 . 1 . . . . 5 LEU N . 17723 1 65 . 1 1 6 6 ILE H H 1 8.671 0.001 . 1 . . . . 6 ILE H . 17723 1 66 . 1 1 6 6 ILE HA H 1 4.288 0.006 . 1 . . . . 6 ILE HA . 17723 1 67 . 1 1 6 6 ILE HB H 1 1.819 0.007 . 1 . . . . 6 ILE HB . 17723 1 68 . 1 1 6 6 ILE HG12 H 1 1.127 0.003 . 2 . . . . 6 ILE QG1 . 17723 1 69 . 1 1 6 6 ILE HG13 H 1 1.127 0.003 . 2 . . . . 6 ILE QG1 . 17723 1 70 . 1 1 6 6 ILE HG21 H 1 0.771 0.003 . 1 . . . . 6 ILE QG2 . 17723 1 71 . 1 1 6 6 ILE HG22 H 1 0.771 0.003 . 1 . . . . 6 ILE QG2 . 17723 1 72 . 1 1 6 6 ILE HG23 H 1 0.771 0.003 . 1 . . . . 6 ILE QG2 . 17723 1 73 . 1 1 6 6 ILE HD11 H 1 0.850 0.000 . 1 . . . . 6 ILE QD1 . 17723 1 74 . 1 1 6 6 ILE HD12 H 1 0.850 0.000 . 1 . . . . 6 ILE QD1 . 17723 1 75 . 1 1 6 6 ILE HD13 H 1 0.850 0.000 . 1 . . . . 6 ILE QD1 . 17723 1 76 . 1 1 6 6 ILE C C 13 176.346 0.010 . 1 . . . . 6 ILE C . 17723 1 77 . 1 1 6 6 ILE CA C 13 60.383 0.095 . 1 . . . . 6 ILE CA . 17723 1 78 . 1 1 6 6 ILE CB C 13 39.478 0.081 . 1 . . . . 6 ILE CB . 17723 1 79 . 1 1 6 6 ILE CG1 C 13 27.881 0.050 . 1 . . . . 6 ILE CG1 . 17723 1 80 . 1 1 6 6 ILE CG2 C 13 17.647 0.040 . 1 . . . . 6 ILE CG2 . 17723 1 81 . 1 1 6 6 ILE CD1 C 13 12.138 0.000 . 1 . . . . 6 ILE CD1 . 17723 1 82 . 1 1 6 6 ILE N N 15 123.560 0.040 . 1 . . . . 6 ILE N . 17723 1 83 . 1 1 7 7 ALA H H 1 8.681 0.003 . 1 . . . . 7 ALA H . 17723 1 84 . 1 1 7 7 ALA HA H 1 4.963 0.005 . 1 . . . . 7 ALA HA . 17723 1 85 . 1 1 7 7 ALA HB1 H 1 1.484 0.003 . 1 . . . . 7 ALA QB . 17723 1 86 . 1 1 7 7 ALA HB2 H 1 1.484 0.003 . 1 . . . . 7 ALA QB . 17723 1 87 . 1 1 7 7 ALA HB3 H 1 1.484 0.003 . 1 . . . . 7 ALA QB . 17723 1 88 . 1 1 7 7 ALA C C 13 176.026 0.039 . 1 . . . . 7 ALA C . 17723 1 89 . 1 1 7 7 ALA CA C 13 50.518 0.057 . 1 . . . . 7 ALA CA . 17723 1 90 . 1 1 7 7 ALA CB C 13 20.840 0.067 . 1 . . . . 7 ALA CB . 17723 1 91 . 1 1 7 7 ALA N N 15 131.092 0.025 . 1 . . . . 7 ALA N . 17723 1 92 . 1 1 8 8 GLN H H 1 9.437 0.002 . 1 . . . . 8 GLN H . 17723 1 93 . 1 1 8 8 GLN HA H 1 5.358 0.010 . 1 . . . . 8 GLN HA . 17723 1 94 . 1 1 8 8 GLN HB2 H 1 2.005 0.000 . 2 . . . . 8 GLN HB2 . 17723 1 95 . 1 1 8 8 GLN HB3 H 1 1.759 0.000 . 2 . . . . 8 GLN HB3 . 17723 1 96 . 1 1 8 8 GLN HG2 H 1 2.189 0.000 . 2 . . . . 8 GLN HG2 . 17723 1 97 . 1 1 8 8 GLN HG3 H 1 2.020 0.000 . 2 . . . . 8 GLN HG3 . 17723 1 98 . 1 1 8 8 GLN C C 13 174.089 0.037 . 1 . . . . 8 GLN C . 17723 1 99 . 1 1 8 8 GLN CA C 13 54.959 0.041 . 1 . . . . 8 GLN CA . 17723 1 100 . 1 1 8 8 GLN CB C 13 32.316 0.012 . 1 . . . . 8 GLN CB . 17723 1 101 . 1 1 8 8 GLN CG C 13 33.501 0.106 . 1 . . . . 8 GLN CG . 17723 1 102 . 1 1 8 8 GLN N N 15 124.485 0.023 . 1 . . . . 8 GLN N . 17723 1 103 . 1 1 9 9 VAL H H 1 8.937 0.002 . 1 . . . . 9 VAL H . 17723 1 104 . 1 1 9 9 VAL HA H 1 4.560 0.006 . 1 . . . . 9 VAL HA . 17723 1 105 . 1 1 9 9 VAL HB H 1 2.115 0.004 . 1 . . . . 9 VAL HB . 17723 1 106 . 1 1 9 9 VAL HG11 H 1 0.986 0.002 . 1 . . . . 9 VAL QG1 . 17723 1 107 . 1 1 9 9 VAL HG12 H 1 0.986 0.002 . 1 . . . . 9 VAL QG1 . 17723 1 108 . 1 1 9 9 VAL HG13 H 1 0.986 0.002 . 1 . . . . 9 VAL QG1 . 17723 1 109 . 1 1 9 9 VAL HG21 H 1 0.858 0.005 . 1 . . . . 9 VAL QG2 . 17723 1 110 . 1 1 9 9 VAL HG22 H 1 0.858 0.005 . 1 . . . . 9 VAL QG2 . 17723 1 111 . 1 1 9 9 VAL HG23 H 1 0.858 0.005 . 1 . . . . 9 VAL QG2 . 17723 1 112 . 1 1 9 9 VAL C C 13 173.969 0.014 . 1 . . . . 9 VAL C . 17723 1 113 . 1 1 9 9 VAL CA C 13 60.181 0.033 . 1 . . . . 9 VAL CA . 17723 1 114 . 1 1 9 9 VAL CB C 13 36.197 0.009 . 1 . . . . 9 VAL CB . 17723 1 115 . 1 1 9 9 VAL CG1 C 13 23.077 0.035 . 2 . . . . 9 VAL CG1 . 17723 1 116 . 1 1 9 9 VAL CG2 C 13 21.522 0.004 . 2 . . . . 9 VAL CG2 . 17723 1 117 . 1 1 9 9 VAL N N 15 120.822 0.019 . 1 . . . . 9 VAL N . 17723 1 118 . 1 1 10 10 LYS H H 1 8.399 0.003 . 1 . . . . 10 LYS H . 17723 1 119 . 1 1 10 10 LYS HA H 1 5.546 0.007 . 1 . . . . 10 LYS HA . 17723 1 120 . 1 1 10 10 LYS HB2 H 1 1.675 0.002 . 2 . . . . 10 LYS QB . 17723 1 121 . 1 1 10 10 LYS HB3 H 1 1.675 0.002 . 2 . . . . 10 LYS QB . 17723 1 122 . 1 1 10 10 LYS HG2 H 1 1.251 0.000 . 2 . . . . 10 LYS QG . 17723 1 123 . 1 1 10 10 LYS HG3 H 1 1.251 0.000 . 2 . . . . 10 LYS QG . 17723 1 124 . 1 1 10 10 LYS HD2 H 1 1.505 0.000 . 2 . . . . 10 LYS QD . 17723 1 125 . 1 1 10 10 LYS HD3 H 1 1.505 0.000 . 2 . . . . 10 LYS QD . 17723 1 126 . 1 1 10 10 LYS HE2 H 1 2.748 0.000 . 2 . . . . 10 LYS QE . 17723 1 127 . 1 1 10 10 LYS HE3 H 1 2.748 0.000 . 2 . . . . 10 LYS QE . 17723 1 128 . 1 1 10 10 LYS C C 13 176.012 0.014 . 1 . . . . 10 LYS C . 17723 1 129 . 1 1 10 10 LYS CA C 13 55.037 0.043 . 1 . . . . 10 LYS CA . 17723 1 130 . 1 1 10 10 LYS CB C 13 36.868 0.043 . 1 . . . . 10 LYS CB . 17723 1 131 . 1 1 10 10 LYS CG C 13 24.312 0.024 . 1 . . . . 10 LYS CG . 17723 1 132 . 1 1 10 10 LYS CD C 13 29.498 0.020 . 1 . . . . 10 LYS CD . 17723 1 133 . 1 1 10 10 LYS CE C 13 42.019 0.138 . 1 . . . . 10 LYS CE . 17723 1 134 . 1 1 10 10 LYS N N 15 120.462 0.044 . 1 . . . . 10 LYS N . 17723 1 135 . 1 1 11 11 THR H H 1 8.766 0.004 . 1 . . . . 11 THR H . 17723 1 136 . 1 1 11 11 THR HA H 1 4.628 0.003 . 1 . . . . 11 THR HA . 17723 1 137 . 1 1 11 11 THR HB H 1 3.963 0.007 . 1 . . . . 11 THR HB . 17723 1 138 . 1 1 11 11 THR HG21 H 1 0.959 0.008 . 1 . . . . 11 THR QG2 . 17723 1 139 . 1 1 11 11 THR HG22 H 1 0.959 0.008 . 1 . . . . 11 THR QG2 . 17723 1 140 . 1 1 11 11 THR HG23 H 1 0.959 0.008 . 1 . . . . 11 THR QG2 . 17723 1 141 . 1 1 11 11 THR C C 13 171.474 0.047 . 1 . . . . 11 THR C . 17723 1 142 . 1 1 11 11 THR CA C 13 61.242 0.098 . 1 . . . . 11 THR CA . 17723 1 143 . 1 1 11 11 THR CB C 13 69.640 0.036 . 1 . . . . 11 THR CB . 17723 1 144 . 1 1 11 11 THR CG2 C 13 20.296 0.122 . 1 . . . . 11 THR CG2 . 17723 1 145 . 1 1 11 11 THR N N 15 117.316 0.044 . 1 . . . . 11 THR N . 17723 1 146 . 1 1 12 12 VAL H H 1 7.961 0.006 . 1 . . . . 12 VAL H . 17723 1 147 . 1 1 12 12 VAL HA H 1 4.905 0.005 . 1 . . . . 12 VAL HA . 17723 1 148 . 1 1 12 12 VAL HB H 1 1.847 0.002 . 1 . . . . 12 VAL HB . 17723 1 149 . 1 1 12 12 VAL HG11 H 1 0.699 0.004 . 1 . . . . 12 VAL QG1 . 17723 1 150 . 1 1 12 12 VAL HG12 H 1 0.699 0.004 . 1 . . . . 12 VAL QG1 . 17723 1 151 . 1 1 12 12 VAL HG13 H 1 0.699 0.004 . 1 . . . . 12 VAL QG1 . 17723 1 152 . 1 1 12 12 VAL HG21 H 1 0.866 0.000 . 1 . . . . 12 VAL QG2 . 17723 1 153 . 1 1 12 12 VAL HG22 H 1 0.866 0.000 . 1 . . . . 12 VAL QG2 . 17723 1 154 . 1 1 12 12 VAL HG23 H 1 0.866 0.000 . 1 . . . . 12 VAL QG2 . 17723 1 155 . 1 1 12 12 VAL C C 13 175.329 0.019 . 1 . . . . 12 VAL C . 17723 1 156 . 1 1 12 12 VAL CA C 13 61.425 0.044 . 1 . . . . 12 VAL CA . 17723 1 157 . 1 1 12 12 VAL CB C 13 33.642 0.054 . 1 . . . . 12 VAL CB . 17723 1 158 . 1 1 12 12 VAL CG1 C 13 21.065 0.022 . 2 . . . . 12 VAL CG1 . 17723 1 159 . 1 1 12 12 VAL CG2 C 13 21.392 0.000 . 2 . . . . 12 VAL CG2 . 17723 1 160 . 1 1 12 12 VAL N N 15 124.303 0.035 . 1 . . . . 12 VAL N . 17723 1 161 . 1 1 13 13 ILE H H 1 9.240 0.004 . 1 . . . . 13 ILE H . 17723 1 162 . 1 1 13 13 ILE HA H 1 4.218 0.004 . 1 . . . . 13 ILE HA . 17723 1 163 . 1 1 13 13 ILE HB H 1 1.584 0.005 . 1 . . . . 13 ILE HB . 17723 1 164 . 1 1 13 13 ILE HG21 H 1 0.863 0.002 . 1 . . . . 13 ILE QG2 . 17723 1 165 . 1 1 13 13 ILE HG22 H 1 0.863 0.002 . 1 . . . . 13 ILE QG2 . 17723 1 166 . 1 1 13 13 ILE HG23 H 1 0.863 0.002 . 1 . . . . 13 ILE QG2 . 17723 1 167 . 1 1 13 13 ILE HD11 H 1 0.669 0.002 . 1 . . . . 13 ILE QD1 . 17723 1 168 . 1 1 13 13 ILE HD12 H 1 0.669 0.002 . 1 . . . . 13 ILE QD1 . 17723 1 169 . 1 1 13 13 ILE HD13 H 1 0.669 0.002 . 1 . . . . 13 ILE QD1 . 17723 1 170 . 1 1 13 13 ILE C C 13 175.651 0.048 . 1 . . . . 13 ILE C . 17723 1 171 . 1 1 13 13 ILE CA C 13 60.305 0.045 . 1 . . . . 13 ILE CA . 17723 1 172 . 1 1 13 13 ILE CB C 13 40.708 0.080 . 1 . . . . 13 ILE CB . 17723 1 173 . 1 1 13 13 ILE CG1 C 13 27.661 0.000 . 1 . . . . 13 ILE CG1 . 17723 1 174 . 1 1 13 13 ILE CG2 C 13 18.340 0.039 . 1 . . . . 13 ILE CG2 . 17723 1 175 . 1 1 13 13 ILE CD1 C 13 13.666 0.152 . 1 . . . . 13 ILE CD1 . 17723 1 176 . 1 1 13 13 ILE N N 15 126.096 0.026 . 1 . . . . 13 ILE N . 17723 1 177 . 1 1 14 14 ASN H H 1 10.653 0.006 . 1 . . . . 14 ASN H . 17723 1 178 . 1 1 14 14 ASN HA H 1 4.876 0.002 . 1 . . . . 14 ASN HA . 17723 1 179 . 1 1 14 14 ASN HB2 H 1 2.753 0.019 . 2 . . . . 14 ASN HB2 . 17723 1 180 . 1 1 14 14 ASN HB3 H 1 2.619 0.000 . 2 . . . . 14 ASN HB3 . 17723 1 181 . 1 1 14 14 ASN C C 13 172.859 0.046 . 1 . . . . 14 ASN C . 17723 1 182 . 1 1 14 14 ASN CA C 13 52.341 0.004 . 1 . . . . 14 ASN CA . 17723 1 183 . 1 1 14 14 ASN CB C 13 36.646 0.045 . 1 . . . . 14 ASN CB . 17723 1 184 . 1 1 14 14 ASN N N 15 130.983 0.035 . 1 . . . . 14 ASN N . 17723 1 185 . 1 1 15 15 ALA H H 1 7.837 0.003 . 1 . . . . 15 ALA H . 17723 1 186 . 1 1 15 15 ALA HA H 1 4.690 0.000 . 1 . . . . 15 ALA HA . 17723 1 187 . 1 1 15 15 ALA HB1 H 1 1.071 0.002 . 1 . . . . 15 ALA QB . 17723 1 188 . 1 1 15 15 ALA HB2 H 1 1.071 0.002 . 1 . . . . 15 ALA QB . 17723 1 189 . 1 1 15 15 ALA HB3 H 1 1.071 0.002 . 1 . . . . 15 ALA QB . 17723 1 190 . 1 1 15 15 ALA C C 13 173.420 0.000 . 1 . . . . 15 ALA C . 17723 1 191 . 1 1 15 15 ALA CA C 13 50.148 0.000 . 1 . . . . 15 ALA CA . 17723 1 192 . 1 1 15 15 ALA CB C 13 20.479 0.059 . 1 . . . . 15 ALA CB . 17723 1 193 . 1 1 15 15 ALA N N 15 123.377 0.015 . 1 . . . . 15 ALA N . 17723 1 194 . 1 1 16 16 PRO HA H 1 4.542 0.006 . 1 . . . . 16 PRO HA . 17723 1 195 . 1 1 16 16 PRO HB2 H 1 2.596 0.006 . 2 . . . . 16 PRO HB2 . 17723 1 196 . 1 1 16 16 PRO HB3 H 1 1.832 0.003 . 2 . . . . 16 PRO HB3 . 17723 1 197 . 1 1 16 16 PRO HG2 H 1 2.051 0.000 . 2 . . . . 16 PRO QG . 17723 1 198 . 1 1 16 16 PRO HG3 H 1 2.051 0.000 . 2 . . . . 16 PRO QG . 17723 1 199 . 1 1 16 16 PRO HD2 H 1 3.822 0.000 . 2 . . . . 16 PRO HD2 . 17723 1 200 . 1 1 16 16 PRO HD3 H 1 3.338 0.000 . 2 . . . . 16 PRO HD3 . 17723 1 201 . 1 1 16 16 PRO C C 13 179.799 0.011 . 1 . . . . 16 PRO C . 17723 1 202 . 1 1 16 16 PRO CA C 13 62.521 0.039 . 1 . . . . 16 PRO CA . 17723 1 203 . 1 1 16 16 PRO CB C 13 33.226 0.059 . 1 . . . . 16 PRO CB . 17723 1 204 . 1 1 16 16 PRO CG C 13 27.986 0.066 . 1 . . . . 16 PRO CG . 17723 1 205 . 1 1 16 16 PRO CD C 13 50.589 0.037 . 1 . . . . 16 PRO CD . 17723 1 206 . 1 1 17 17 ILE H H 1 9.197 0.003 . 1 . . . . 17 ILE H . 17723 1 207 . 1 1 17 17 ILE HA H 1 3.852 0.008 . 1 . . . . 17 ILE HA . 17723 1 208 . 1 1 17 17 ILE HB H 1 1.842 0.005 . 1 . . . . 17 ILE HB . 17723 1 209 . 1 1 17 17 ILE HG12 H 1 1.123 0.000 . 2 . . . . 17 ILE QG1 . 17723 1 210 . 1 1 17 17 ILE HG13 H 1 1.123 0.000 . 2 . . . . 17 ILE QG1 . 17723 1 211 . 1 1 17 17 ILE HG21 H 1 1.010 0.000 . 1 . . . . 17 ILE QG2 . 17723 1 212 . 1 1 17 17 ILE HG22 H 1 1.010 0.000 . 1 . . . . 17 ILE QG2 . 17723 1 213 . 1 1 17 17 ILE HG23 H 1 1.010 0.000 . 1 . . . . 17 ILE QG2 . 17723 1 214 . 1 1 17 17 ILE HD11 H 1 0.948 0.003 . 1 . . . . 17 ILE QD1 . 17723 1 215 . 1 1 17 17 ILE HD12 H 1 0.948 0.003 . 1 . . . . 17 ILE QD1 . 17723 1 216 . 1 1 17 17 ILE HD13 H 1 0.948 0.003 . 1 . . . . 17 ILE QD1 . 17723 1 217 . 1 1 17 17 ILE C C 13 176.135 0.039 . 1 . . . . 17 ILE C . 17723 1 218 . 1 1 17 17 ILE CA C 13 66.209 0.059 . 1 . . . . 17 ILE CA . 17723 1 219 . 1 1 17 17 ILE CB C 13 38.310 0.069 . 1 . . . . 17 ILE CB . 17723 1 220 . 1 1 17 17 ILE CG1 C 13 31.125 0.065 . 1 . . . . 17 ILE CG1 . 17723 1 221 . 1 1 17 17 ILE CG2 C 13 16.644 0.076 . 1 . . . . 17 ILE CG2 . 17723 1 222 . 1 1 17 17 ILE CD1 C 13 14.877 0.052 . 1 . . . . 17 ILE CD1 . 17723 1 223 . 1 1 17 17 ILE N N 15 125.935 0.026 . 1 . . . . 17 ILE N . 17723 1 224 . 1 1 18 18 GLU H H 1 9.915 0.005 . 1 . . . . 18 GLU H . 17723 1 225 . 1 1 18 18 GLU HA H 1 3.981 0.007 . 1 . . . . 18 GLU HA . 17723 1 226 . 1 1 18 18 GLU HB2 H 1 2.067 0.006 . 2 . . . . 18 GLU QB . 17723 1 227 . 1 1 18 18 GLU HB3 H 1 2.067 0.006 . 2 . . . . 18 GLU QB . 17723 1 228 . 1 1 18 18 GLU HG2 H 1 2.309 0.026 . 2 . . . . 18 GLU QG . 17723 1 229 . 1 1 18 18 GLU HG3 H 1 2.309 0.026 . 2 . . . . 18 GLU QG . 17723 1 230 . 1 1 18 18 GLU C C 13 179.741 0.013 . 1 . . . . 18 GLU C . 17723 1 231 . 1 1 18 18 GLU CA C 13 60.286 0.044 . 1 . . . . 18 GLU CA . 17723 1 232 . 1 1 18 18 GLU CB C 13 28.306 0.047 . 1 . . . . 18 GLU CB . 17723 1 233 . 1 1 18 18 GLU CG C 13 36.174 0.146 . 1 . . . . 18 GLU CG . 17723 1 234 . 1 1 18 18 GLU N N 15 121.366 0.045 . 1 . . . . 18 GLU N . 17723 1 235 . 1 1 19 19 LYS H H 1 7.325 0.003 . 1 . . . . 19 LYS H . 17723 1 236 . 1 1 19 19 LYS HA H 1 4.302 0.004 . 1 . . . . 19 LYS HA . 17723 1 237 . 1 1 19 19 LYS HB2 H 1 1.916 0.000 . 2 . . . . 19 LYS QB . 17723 1 238 . 1 1 19 19 LYS HB3 H 1 1.916 0.000 . 2 . . . . 19 LYS QB . 17723 1 239 . 1 1 19 19 LYS HE2 H 1 2.932 0.000 . 2 . . . . 19 LYS QE . 17723 1 240 . 1 1 19 19 LYS HE3 H 1 2.932 0.000 . 2 . . . . 19 LYS QE . 17723 1 241 . 1 1 19 19 LYS C C 13 179.107 0.035 . 1 . . . . 19 LYS C . 17723 1 242 . 1 1 19 19 LYS CA C 13 57.366 0.015 . 1 . . . . 19 LYS CA . 17723 1 243 . 1 1 19 19 LYS CB C 13 32.099 0.013 . 1 . . . . 19 LYS CB . 17723 1 244 . 1 1 19 19 LYS CG C 13 24.840 0.000 . 1 . . . . 19 LYS CG . 17723 1 245 . 1 1 19 19 LYS CD C 13 28.012 0.000 . 1 . . . . 19 LYS CD . 17723 1 246 . 1 1 19 19 LYS CE C 13 42.141 0.069 . 1 . . . . 19 LYS CE . 17723 1 247 . 1 1 19 19 LYS N N 15 118.407 0.033 . 1 . . . . 19 LYS N . 17723 1 248 . 1 1 20 20 VAL H H 1 7.715 0.002 . 1 . . . . 20 VAL H . 17723 1 249 . 1 1 20 20 VAL HA H 1 3.455 0.004 . 1 . . . . 20 VAL HA . 17723 1 250 . 1 1 20 20 VAL HB H 1 2.032 0.000 . 1 . . . . 20 VAL HB . 17723 1 251 . 1 1 20 20 VAL HG11 H 1 0.747 0.000 . 2 . . . . 20 VAL QG1 . 17723 1 252 . 1 1 20 20 VAL HG12 H 1 0.747 0.000 . 2 . . . . 20 VAL QG1 . 17723 1 253 . 1 1 20 20 VAL HG13 H 1 0.747 0.000 . 2 . . . . 20 VAL QG1 . 17723 1 254 . 1 1 20 20 VAL C C 13 176.394 0.005 . 1 . . . . 20 VAL C . 17723 1 255 . 1 1 20 20 VAL CA C 13 66.372 0.044 . 1 . . . . 20 VAL CA . 17723 1 256 . 1 1 20 20 VAL CB C 13 31.324 0.134 . 1 . . . . 20 VAL CB . 17723 1 257 . 1 1 20 20 VAL CG1 C 13 22.175 0.050 . 2 . . . . 20 VAL CG1 . 17723 1 258 . 1 1 20 20 VAL N N 15 120.396 0.043 . 1 . . . . 20 VAL N . 17723 1 259 . 1 1 21 21 TRP H H 1 8.228 0.005 . 1 . . . . 21 TRP H . 17723 1 260 . 1 1 21 21 TRP HA H 1 4.058 0.008 . 1 . . . . 21 TRP HA . 17723 1 261 . 1 1 21 21 TRP HB2 H 1 3.114 0.000 . 2 . . . . 21 TRP HB2 . 17723 1 262 . 1 1 21 21 TRP HB3 H 1 2.889 0.000 . 2 . . . . 21 TRP HB3 . 17723 1 263 . 1 1 21 21 TRP HD1 H 1 7.351 0.001 . 1 . . . . 21 TRP HD1 . 17723 1 264 . 1 1 21 21 TRP HE1 H 1 10.550 0.005 . 1 . . . . 21 TRP HE1 . 17723 1 265 . 1 1 21 21 TRP HZ2 H 1 5.808 0.005 . 1 . . . . 21 TRP HZ2 . 17723 1 266 . 1 1 21 21 TRP C C 13 177.171 0.034 . 1 . . . . 21 TRP C . 17723 1 267 . 1 1 21 21 TRP CA C 13 60.300 0.019 . 1 . . . . 21 TRP CA . 17723 1 268 . 1 1 21 21 TRP CB C 13 30.454 0.018 . 1 . . . . 21 TRP CB . 17723 1 269 . 1 1 21 21 TRP CD1 C 13 128.606 0.005 . 1 . . . . 21 TRP CD1 . 17723 1 270 . 1 1 21 21 TRP CZ2 C 13 115.220 0.112 . 1 . . . . 21 TRP CZ2 . 17723 1 271 . 1 1 21 21 TRP N N 15 115.091 0.023 . 1 . . . . 21 TRP N . 17723 1 272 . 1 1 21 21 TRP NE1 N 15 131.946 0.006 . 1 . . . . 21 TRP NE1 . 17723 1 273 . 1 1 22 22 GLU H H 1 7.501 0.002 . 1 . . . . 22 GLU H . 17723 1 274 . 1 1 22 22 GLU HA H 1 3.729 0.005 . 1 . . . . 22 GLU HA . 17723 1 275 . 1 1 22 22 GLU HB2 H 1 2.093 0.000 . 2 . . . . 22 GLU QB . 17723 1 276 . 1 1 22 22 GLU HB3 H 1 2.093 0.000 . 2 . . . . 22 GLU QB . 17723 1 277 . 1 1 22 22 GLU HG2 H 1 2.362 0.007 . 2 . . . . 22 GLU QG . 17723 1 278 . 1 1 22 22 GLU HG3 H 1 2.362 0.007 . 2 . . . . 22 GLU QG . 17723 1 279 . 1 1 22 22 GLU C C 13 177.558 0.014 . 1 . . . . 22 GLU C . 17723 1 280 . 1 1 22 22 GLU CA C 13 59.018 0.026 . 1 . . . . 22 GLU CA . 17723 1 281 . 1 1 22 22 GLU CB C 13 29.835 0.044 . 1 . . . . 22 GLU CB . 17723 1 282 . 1 1 22 22 GLU CG C 13 36.393 0.078 . 1 . . . . 22 GLU CG . 17723 1 283 . 1 1 22 22 GLU N N 15 115.239 0.018 . 1 . . . . 22 GLU N . 17723 1 284 . 1 1 23 23 ALA H H 1 7.433 0.007 . 1 . . . . 23 ALA H . 17723 1 285 . 1 1 23 23 ALA HA H 1 4.036 0.004 . 1 . . . . 23 ALA HA . 17723 1 286 . 1 1 23 23 ALA HB1 H 1 1.512 0.003 . 1 . . . . 23 ALA QB . 17723 1 287 . 1 1 23 23 ALA HB2 H 1 1.512 0.003 . 1 . . . . 23 ALA QB . 17723 1 288 . 1 1 23 23 ALA HB3 H 1 1.512 0.003 . 1 . . . . 23 ALA QB . 17723 1 289 . 1 1 23 23 ALA C C 13 178.505 0.008 . 1 . . . . 23 ALA C . 17723 1 290 . 1 1 23 23 ALA CA C 13 53.720 0.053 . 1 . . . . 23 ALA CA . 17723 1 291 . 1 1 23 23 ALA CB C 13 19.766 0.050 . 1 . . . . 23 ALA CB . 17723 1 292 . 1 1 23 23 ALA N N 15 116.168 0.025 . 1 . . . . 23 ALA N . 17723 1 293 . 1 1 24 24 LEU H H 1 7.386 0.004 . 1 . . . . 24 LEU H . 17723 1 294 . 1 1 24 24 LEU HA H 1 4.045 0.002 . 1 . . . . 24 LEU HA . 17723 1 295 . 1 1 24 24 LEU HB2 H 1 1.567 0.008 . 2 . . . . 24 LEU HB2 . 17723 1 296 . 1 1 24 24 LEU HB3 H 1 0.974 0.008 . 2 . . . . 24 LEU HB3 . 17723 1 297 . 1 1 24 24 LEU HG H 1 0.649 0.002 . 1 . . . . 24 LEU HG . 17723 1 298 . 1 1 24 24 LEU HD11 H 1 0.720 0.000 . 2 . . . . 24 LEU QD1 . 17723 1 299 . 1 1 24 24 LEU HD12 H 1 0.720 0.000 . 2 . . . . 24 LEU QD1 . 17723 1 300 . 1 1 24 24 LEU HD13 H 1 0.720 0.000 . 2 . . . . 24 LEU QD1 . 17723 1 301 . 1 1 24 24 LEU C C 13 177.148 0.026 . 1 . . . . 24 LEU C . 17723 1 302 . 1 1 24 24 LEU CA C 13 55.949 0.033 . 1 . . . . 24 LEU CA . 17723 1 303 . 1 1 24 24 LEU CB C 13 43.110 0.039 . 1 . . . . 24 LEU CB . 17723 1 304 . 1 1 24 24 LEU CG C 13 26.991 0.051 . 1 . . . . 24 LEU CG . 17723 1 305 . 1 1 24 24 LEU CD1 C 13 22.501 0.003 . 2 . . . . 24 LEU CD1 . 17723 1 306 . 1 1 24 24 LEU N N 15 116.261 0.034 . 1 . . . . 24 LEU N . 17723 1 307 . 1 1 25 25 VAL H H 1 6.330 0.004 . 1 . . . . 25 VAL H . 17723 1 308 . 1 1 25 25 VAL HA H 1 3.706 0.005 . 1 . . . . 25 VAL HA . 17723 1 309 . 1 1 25 25 VAL HB H 1 1.196 0.001 . 1 . . . . 25 VAL HB . 17723 1 310 . 1 1 25 25 VAL HG11 H 1 -0.228 0.005 . 1 . . . . 25 VAL QG1 . 17723 1 311 . 1 1 25 25 VAL HG12 H 1 -0.228 0.005 . 1 . . . . 25 VAL QG1 . 17723 1 312 . 1 1 25 25 VAL HG13 H 1 -0.228 0.005 . 1 . . . . 25 VAL QG1 . 17723 1 313 . 1 1 25 25 VAL HG21 H 1 0.211 0.004 . 1 . . . . 25 VAL QG2 . 17723 1 314 . 1 1 25 25 VAL HG22 H 1 0.211 0.004 . 1 . . . . 25 VAL QG2 . 17723 1 315 . 1 1 25 25 VAL HG23 H 1 0.211 0.004 . 1 . . . . 25 VAL QG2 . 17723 1 316 . 1 1 25 25 VAL C C 13 174.152 0.034 . 1 . . . . 25 VAL C . 17723 1 317 . 1 1 25 25 VAL CA C 13 59.466 0.013 . 1 . . . . 25 VAL CA . 17723 1 318 . 1 1 25 25 VAL CB C 13 32.045 0.069 . 1 . . . . 25 VAL CB . 17723 1 319 . 1 1 25 25 VAL CG1 C 13 20.423 0.029 . 2 . . . . 25 VAL CG1 . 17723 1 320 . 1 1 25 25 VAL CG2 C 13 17.000 0.053 . 2 . . . . 25 VAL CG2 . 17723 1 321 . 1 1 25 25 VAL N N 15 103.614 0.037 . 1 . . . . 25 VAL N . 17723 1 322 . 1 1 26 26 ASN H H 1 7.338 0.008 . 1 . . . . 26 ASN H . 17723 1 323 . 1 1 26 26 ASN HA H 1 5.077 0.006 . 1 . . . . 26 ASN HA . 17723 1 324 . 1 1 26 26 ASN HB2 H 1 2.989 0.004 . 2 . . . . 26 ASN HB2 . 17723 1 325 . 1 1 26 26 ASN HB3 H 1 2.751 0.004 . 2 . . . . 26 ASN HB3 . 17723 1 326 . 1 1 26 26 ASN HD21 H 1 7.821 0.002 . 2 . . . . 26 ASN HD21 . 17723 1 327 . 1 1 26 26 ASN HD22 H 1 7.261 0.000 . 2 . . . . 26 ASN HD22 . 17723 1 328 . 1 1 26 26 ASN C C 13 175.746 0.000 . 1 . . . . 26 ASN C . 17723 1 329 . 1 1 26 26 ASN CA C 13 49.339 0.020 . 1 . . . . 26 ASN CA . 17723 1 330 . 1 1 26 26 ASN CB C 13 39.797 0.054 . 1 . . . . 26 ASN CB . 17723 1 331 . 1 1 26 26 ASN N N 15 118.603 0.017 . 1 . . . . 26 ASN N . 17723 1 332 . 1 1 26 26 ASN ND2 N 15 112.914 0.065 . 1 . . . . 26 ASN ND2 . 17723 1 333 . 1 1 27 27 PRO HA H 1 4.220 0.007 . 1 . . . . 27 PRO HA . 17723 1 334 . 1 1 27 27 PRO HB2 H 1 2.787 0.005 . 2 . . . . 27 PRO HB2 . 17723 1 335 . 1 1 27 27 PRO HB3 H 1 2.242 0.008 . 2 . . . . 27 PRO HB3 . 17723 1 336 . 1 1 27 27 PRO HG2 H 1 2.443 0.004 . 2 . . . . 27 PRO HG2 . 17723 1 337 . 1 1 27 27 PRO HG3 H 1 2.162 0.000 . 2 . . . . 27 PRO HG3 . 17723 1 338 . 1 1 27 27 PRO HD2 H 1 4.251 0.000 . 2 . . . . 27 PRO HD2 . 17723 1 339 . 1 1 27 27 PRO HD3 H 1 4.014 0.004 . 2 . . . . 27 PRO HD3 . 17723 1 340 . 1 1 27 27 PRO C C 13 178.630 0.000 . 1 . . . . 27 PRO C . 17723 1 341 . 1 1 27 27 PRO CA C 13 65.247 0.038 . 1 . . . . 27 PRO CA . 17723 1 342 . 1 1 27 27 PRO CB C 13 33.399 0.063 . 1 . . . . 27 PRO CB . 17723 1 343 . 1 1 27 27 PRO CG C 13 28.362 0.046 . 1 . . . . 27 PRO CG . 17723 1 344 . 1 1 27 27 PRO CD C 13 51.586 0.032 . 1 . . . . 27 PRO CD . 17723 1 345 . 1 1 28 28 GLU H H 1 8.150 0.003 . 1 . . . . 28 GLU H . 17723 1 346 . 1 1 28 28 GLU HA H 1 4.083 0.008 . 1 . . . . 28 GLU HA . 17723 1 347 . 1 1 28 28 GLU HB2 H 1 2.017 0.000 . 2 . . . . 28 GLU QB . 17723 1 348 . 1 1 28 28 GLU HB3 H 1 2.017 0.000 . 2 . . . . 28 GLU QB . 17723 1 349 . 1 1 28 28 GLU HG2 H 1 2.344 0.000 . 2 . . . . 28 GLU QG . 17723 1 350 . 1 1 28 28 GLU HG3 H 1 2.344 0.000 . 2 . . . . 28 GLU QG . 17723 1 351 . 1 1 28 28 GLU C C 13 177.543 0.010 . 1 . . . . 28 GLU C . 17723 1 352 . 1 1 28 28 GLU CA C 13 58.401 0.033 . 1 . . . . 28 GLU CA . 17723 1 353 . 1 1 28 28 GLU CB C 13 29.443 0.016 . 1 . . . . 28 GLU CB . 17723 1 354 . 1 1 28 28 GLU CG C 13 36.529 0.000 . 1 . . . . 28 GLU CG . 17723 1 355 . 1 1 28 28 GLU N N 15 115.880 0.039 . 1 . . . . 28 GLU N . 17723 1 356 . 1 1 29 29 ILE H H 1 7.607 0.002 . 1 . . . . 29 ILE H . 17723 1 357 . 1 1 29 29 ILE HA H 1 3.839 0.005 . 1 . . . . 29 ILE HA . 17723 1 358 . 1 1 29 29 ILE HB H 1 1.915 0.014 . 1 . . . . 29 ILE HB . 17723 1 359 . 1 1 29 29 ILE HG12 H 1 2.049 0.009 . 2 . . . . 29 ILE QG1 . 17723 1 360 . 1 1 29 29 ILE HG13 H 1 2.049 0.009 . 2 . . . . 29 ILE QG1 . 17723 1 361 . 1 1 29 29 ILE HG21 H 1 0.944 0.005 . 1 . . . . 29 ILE QG2 . 17723 1 362 . 1 1 29 29 ILE HG22 H 1 0.944 0.005 . 1 . . . . 29 ILE QG2 . 17723 1 363 . 1 1 29 29 ILE HG23 H 1 0.944 0.005 . 1 . . . . 29 ILE QG2 . 17723 1 364 . 1 1 29 29 ILE HD11 H 1 0.853 0.009 . 1 . . . . 29 ILE QD1 . 17723 1 365 . 1 1 29 29 ILE HD12 H 1 0.853 0.009 . 1 . . . . 29 ILE QD1 . 17723 1 366 . 1 1 29 29 ILE HD13 H 1 0.853 0.009 . 1 . . . . 29 ILE QD1 . 17723 1 367 . 1 1 29 29 ILE C C 13 177.779 0.020 . 1 . . . . 29 ILE C . 17723 1 368 . 1 1 29 29 ILE CA C 13 63.234 0.061 . 1 . . . . 29 ILE CA . 17723 1 369 . 1 1 29 29 ILE CB C 13 38.523 0.052 . 1 . . . . 29 ILE CB . 17723 1 370 . 1 1 29 29 ILE CG1 C 13 27.849 0.107 . 1 . . . . 29 ILE CG1 . 17723 1 371 . 1 1 29 29 ILE CG2 C 13 18.922 0.023 . 1 . . . . 29 ILE CG2 . 17723 1 372 . 1 1 29 29 ILE CD1 C 13 12.101 0.041 . 1 . . . . 29 ILE CD1 . 17723 1 373 . 1 1 29 29 ILE N N 15 119.071 0.020 . 1 . . . . 29 ILE N . 17723 1 374 . 1 1 30 30 ILE H H 1 8.129 0.003 . 1 . . . . 30 ILE H . 17723 1 375 . 1 1 30 30 ILE HA H 1 3.143 0.004 . 1 . . . . 30 ILE HA . 17723 1 376 . 1 1 30 30 ILE HB H 1 1.449 0.006 . 1 . . . . 30 ILE HB . 17723 1 377 . 1 1 30 30 ILE HG12 H 1 1.815 0.000 . 2 . . . . 30 ILE QG1 . 17723 1 378 . 1 1 30 30 ILE HG13 H 1 1.815 0.000 . 2 . . . . 30 ILE QG1 . 17723 1 379 . 1 1 30 30 ILE HG21 H 1 0.667 0.005 . 1 . . . . 30 ILE QG2 . 17723 1 380 . 1 1 30 30 ILE HG22 H 1 0.667 0.005 . 1 . . . . 30 ILE QG2 . 17723 1 381 . 1 1 30 30 ILE HG23 H 1 0.667 0.005 . 1 . . . . 30 ILE QG2 . 17723 1 382 . 1 1 30 30 ILE C C 13 177.633 0.050 . 1 . . . . 30 ILE C . 17723 1 383 . 1 1 30 30 ILE CA C 13 65.179 0.054 . 1 . . . . 30 ILE CA . 17723 1 384 . 1 1 30 30 ILE CB C 13 38.988 0.053 . 1 . . . . 30 ILE CB . 17723 1 385 . 1 1 30 30 ILE CG1 C 13 26.794 0.000 . 1 . . . . 30 ILE CG1 . 17723 1 386 . 1 1 30 30 ILE CG2 C 13 18.308 0.077 . 1 . . . . 30 ILE CG2 . 17723 1 387 . 1 1 30 30 ILE N N 15 121.288 0.026 . 1 . . . . 30 ILE N . 17723 1 388 . 1 1 31 31 LYS H H 1 6.833 0.004 . 1 . . . . 31 LYS H . 17723 1 389 . 1 1 31 31 LYS HA H 1 3.952 0.003 . 1 . . . . 31 LYS HA . 17723 1 390 . 1 1 31 31 LYS HB2 H 1 1.748 0.003 . 2 . . . . 31 LYS QB . 17723 1 391 . 1 1 31 31 LYS HB3 H 1 1.748 0.003 . 2 . . . . 31 LYS QB . 17723 1 392 . 1 1 31 31 LYS HG2 H 1 1.183 0.014 . 2 . . . . 31 LYS QG . 17723 1 393 . 1 1 31 31 LYS HG3 H 1 1.183 0.014 . 2 . . . . 31 LYS QG . 17723 1 394 . 1 1 31 31 LYS HD2 H 1 1.658 0.000 . 2 . . . . 31 LYS QD . 17723 1 395 . 1 1 31 31 LYS HD3 H 1 1.658 0.000 . 2 . . . . 31 LYS QD . 17723 1 396 . 1 1 31 31 LYS C C 13 177.559 0.018 . 1 . . . . 31 LYS C . 17723 1 397 . 1 1 31 31 LYS CA C 13 58.279 0.038 . 1 . . . . 31 LYS CA . 17723 1 398 . 1 1 31 31 LYS CB C 13 32.625 0.016 . 1 . . . . 31 LYS CB . 17723 1 399 . 1 1 31 31 LYS CG C 13 23.913 0.036 . 1 . . . . 31 LYS CG . 17723 1 400 . 1 1 31 31 LYS CD C 13 29.674 0.000 . 1 . . . . 31 LYS CD . 17723 1 401 . 1 1 31 31 LYS CE C 13 42.173 0.000 . 1 . . . . 31 LYS CE . 17723 1 402 . 1 1 31 31 LYS N N 15 112.242 0.055 . 1 . . . . 31 LYS N . 17723 1 403 . 1 1 32 32 GLU H H 1 7.613 0.002 . 1 . . . . 32 GLU H . 17723 1 404 . 1 1 32 32 GLU HA H 1 4.107 0.000 . 1 . . . . 32 GLU HA . 17723 1 405 . 1 1 32 32 GLU HB2 H 1 1.901 0.000 . 2 . . . . 32 GLU HB2 . 17723 1 406 . 1 1 32 32 GLU HB3 H 1 1.688 0.000 . 2 . . . . 32 GLU HB3 . 17723 1 407 . 1 1 32 32 GLU HG2 H 1 2.171 0.000 . 2 . . . . 32 GLU QG . 17723 1 408 . 1 1 32 32 GLU HG3 H 1 2.171 0.000 . 2 . . . . 32 GLU QG . 17723 1 409 . 1 1 32 32 GLU C C 13 177.907 0.029 . 1 . . . . 32 GLU C . 17723 1 410 . 1 1 32 32 GLU CA C 13 57.476 0.018 . 1 . . . . 32 GLU CA . 17723 1 411 . 1 1 32 32 GLU CB C 13 29.386 0.025 . 1 . . . . 32 GLU CB . 17723 1 412 . 1 1 32 32 GLU CG C 13 35.450 0.056 . 1 . . . . 32 GLU CG . 17723 1 413 . 1 1 32 32 GLU N N 15 116.586 0.035 . 1 . . . . 32 GLU N . 17723 1 414 . 1 1 33 33 TYR H H 1 6.735 0.003 . 1 . . . . 33 TYR H . 17723 1 415 . 1 1 33 33 TYR HA H 1 4.813 0.006 . 1 . . . . 33 TYR HA . 17723 1 416 . 1 1 33 33 TYR HB2 H 1 3.120 0.000 . 2 . . . . 33 TYR HB2 . 17723 1 417 . 1 1 33 33 TYR HB3 H 1 2.153 0.000 . 2 . . . . 33 TYR HB3 . 17723 1 418 . 1 1 33 33 TYR HD1 H 1 6.600 0.000 . 3 . . . . 33 TYR QD . 17723 1 419 . 1 1 33 33 TYR HD2 H 1 6.600 0.000 . 3 . . . . 33 TYR QD . 17723 1 420 . 1 1 33 33 TYR HE1 H 1 6.738 0.000 . 3 . . . . 33 TYR QE . 17723 1 421 . 1 1 33 33 TYR HE2 H 1 6.738 0.000 . 3 . . . . 33 TYR QE . 17723 1 422 . 1 1 33 33 TYR C C 13 174.329 0.031 . 1 . . . . 33 TYR C . 17723 1 423 . 1 1 33 33 TYR CA C 13 56.918 0.047 . 1 . . . . 33 TYR CA . 17723 1 424 . 1 1 33 33 TYR CB C 13 38.934 0.031 . 1 . . . . 33 TYR CB . 17723 1 425 . 1 1 33 33 TYR CD1 C 13 133.786 0.000 . 3 . . . . 33 TYR CD1 . 17723 1 426 . 1 1 33 33 TYR CE1 C 13 118.241 0.000 . 3 . . . . 33 TYR CE1 . 17723 1 427 . 1 1 33 33 TYR N N 15 111.217 0.016 . 1 . . . . 33 TYR N . 17723 1 428 . 1 1 34 34 MET H H 1 7.630 0.001 . 1 . . . . 34 MET H . 17723 1 429 . 1 1 34 34 MET HA H 1 4.469 0.002 . 1 . . . . 34 MET HA . 17723 1 430 . 1 1 34 34 MET HB2 H 1 1.888 0.005 . 2 . . . . 34 MET HB2 . 17723 1 431 . 1 1 34 34 MET HB3 H 1 1.453 0.003 . 2 . . . . 34 MET HB3 . 17723 1 432 . 1 1 34 34 MET HG2 H 1 2.252 0.007 . 2 . . . . 34 MET QG . 17723 1 433 . 1 1 34 34 MET HG3 H 1 2.252 0.007 . 2 . . . . 34 MET QG . 17723 1 434 . 1 1 34 34 MET C C 13 175.854 0.027 . 1 . . . . 34 MET C . 17723 1 435 . 1 1 34 34 MET CA C 13 54.214 0.010 . 1 . . . . 34 MET CA . 17723 1 436 . 1 1 34 34 MET CB C 13 31.316 0.102 . 1 . . . . 34 MET CB . 17723 1 437 . 1 1 34 34 MET CG C 13 33.092 0.000 . 1 . . . . 34 MET CG . 17723 1 438 . 1 1 34 34 MET N N 15 124.790 0.022 . 1 . . . . 34 MET N . 17723 1 439 . 1 1 35 35 PHE H H 1 7.629 0.002 . 1 . . . . 35 PHE H . 17723 1 440 . 1 1 35 35 PHE HA H 1 4.239 0.007 . 1 . . . . 35 PHE HA . 17723 1 441 . 1 1 35 35 PHE HB2 H 1 3.088 0.004 . 2 . . . . 35 PHE QB . 17723 1 442 . 1 1 35 35 PHE HB3 H 1 3.088 0.004 . 2 . . . . 35 PHE QB . 17723 1 443 . 1 1 35 35 PHE HD1 H 1 7.176 0.002 . 3 . . . . 35 PHE QD . 17723 1 444 . 1 1 35 35 PHE HD2 H 1 7.176 0.002 . 3 . . . . 35 PHE QD . 17723 1 445 . 1 1 35 35 PHE HE1 H 1 7.331 0.002 . 3 . . . . 35 PHE QE . 17723 1 446 . 1 1 35 35 PHE HE2 H 1 7.331 0.002 . 3 . . . . 35 PHE QE . 17723 1 447 . 1 1 35 35 PHE C C 13 177.639 0.021 . 1 . . . . 35 PHE C . 17723 1 448 . 1 1 35 35 PHE CA C 13 58.992 0.033 . 1 . . . . 35 PHE CA . 17723 1 449 . 1 1 35 35 PHE CB C 13 37.543 0.035 . 1 . . . . 35 PHE CB . 17723 1 450 . 1 1 35 35 PHE CD1 C 13 131.858 0.083 . 3 . . . . 35 PHE CD1 . 17723 1 451 . 1 1 35 35 PHE CE1 C 13 131.580 0.114 . 3 . . . . 35 PHE CE1 . 17723 1 452 . 1 1 35 35 PHE N N 15 118.213 0.043 . 1 . . . . 35 PHE N . 17723 1 453 . 1 1 36 36 GLY H H 1 8.535 0.001 . 1 . . . . 36 GLY H . 17723 1 454 . 1 1 36 36 GLY HA2 H 1 4.136 0.003 . 2 . . . . 36 GLY HA2 . 17723 1 455 . 1 1 36 36 GLY HA3 H 1 3.606 0.002 . 2 . . . . 36 GLY HA3 . 17723 1 456 . 1 1 36 36 GLY C C 13 174.991 0.000 . 1 . . . . 36 GLY C . 17723 1 457 . 1 1 36 36 GLY CA C 13 45.801 0.037 . 1 . . . . 36 GLY CA . 17723 1 458 . 1 1 36 36 GLY N N 15 108.723 0.021 . 1 . . . . 36 GLY N . 17723 1 459 . 1 1 37 37 THR H H 1 7.592 0.001 . 1 . . . . 37 THR H . 17723 1 460 . 1 1 37 37 THR HA H 1 4.583 0.007 . 1 . . . . 37 THR HA . 17723 1 461 . 1 1 37 37 THR HB H 1 3.956 0.006 . 1 . . . . 37 THR HB . 17723 1 462 . 1 1 37 37 THR HG21 H 1 1.184 0.004 . 1 . . . . 37 THR QG2 . 17723 1 463 . 1 1 37 37 THR HG22 H 1 1.184 0.004 . 1 . . . . 37 THR QG2 . 17723 1 464 . 1 1 37 37 THR HG23 H 1 1.184 0.004 . 1 . . . . 37 THR QG2 . 17723 1 465 . 1 1 37 37 THR C C 13 173.936 0.032 . 1 . . . . 37 THR C . 17723 1 466 . 1 1 37 37 THR CA C 13 63.438 0.082 . 1 . . . . 37 THR CA . 17723 1 467 . 1 1 37 37 THR CB C 13 70.166 0.039 . 1 . . . . 37 THR CB . 17723 1 468 . 1 1 37 37 THR CG2 C 13 21.926 0.066 . 1 . . . . 37 THR CG2 . 17723 1 469 . 1 1 37 37 THR N N 15 117.647 0.036 . 1 . . . . 37 THR N . 17723 1 470 . 1 1 38 38 THR H H 1 8.811 0.004 . 1 . . . . 38 THR H . 17723 1 471 . 1 1 38 38 THR HA H 1 4.433 0.003 . 1 . . . . 38 THR HA . 17723 1 472 . 1 1 38 38 THR HB H 1 4.000 0.002 . 1 . . . . 38 THR HB . 17723 1 473 . 1 1 38 38 THR HG21 H 1 1.093 0.004 . 1 . . . . 38 THR QG2 . 17723 1 474 . 1 1 38 38 THR HG22 H 1 1.093 0.004 . 1 . . . . 38 THR QG2 . 17723 1 475 . 1 1 38 38 THR HG23 H 1 1.093 0.004 . 1 . . . . 38 THR QG2 . 17723 1 476 . 1 1 38 38 THR C C 13 173.476 0.011 . 1 . . . . 38 THR C . 17723 1 477 . 1 1 38 38 THR CA C 13 62.130 0.056 . 1 . . . . 38 THR CA . 17723 1 478 . 1 1 38 38 THR CB C 13 70.488 0.084 . 1 . . . . 38 THR CB . 17723 1 479 . 1 1 38 38 THR CG2 C 13 21.280 0.000 . 1 . . . . 38 THR CG2 . 17723 1 480 . 1 1 38 38 THR N N 15 123.022 0.026 . 1 . . . . 38 THR N . 17723 1 481 . 1 1 39 39 VAL H H 1 8.370 0.002 . 1 . . . . 39 VAL H . 17723 1 482 . 1 1 39 39 VAL HA H 1 4.795 0.009 . 1 . . . . 39 VAL HA . 17723 1 483 . 1 1 39 39 VAL HB H 1 1.705 0.008 . 1 . . . . 39 VAL HB . 17723 1 484 . 1 1 39 39 VAL HG11 H 1 0.448 0.003 . 1 . . . . 39 VAL QG1 . 17723 1 485 . 1 1 39 39 VAL HG12 H 1 0.448 0.003 . 1 . . . . 39 VAL QG1 . 17723 1 486 . 1 1 39 39 VAL HG13 H 1 0.448 0.003 . 1 . . . . 39 VAL QG1 . 17723 1 487 . 1 1 39 39 VAL HG21 H 1 0.776 0.004 . 1 . . . . 39 VAL QG2 . 17723 1 488 . 1 1 39 39 VAL HG22 H 1 0.776 0.004 . 1 . . . . 39 VAL QG2 . 17723 1 489 . 1 1 39 39 VAL HG23 H 1 0.776 0.004 . 1 . . . . 39 VAL QG2 . 17723 1 490 . 1 1 39 39 VAL C C 13 175.640 0.050 . 1 . . . . 39 VAL C . 17723 1 491 . 1 1 39 39 VAL CA C 13 61.044 0.036 . 1 . . . . 39 VAL CA . 17723 1 492 . 1 1 39 39 VAL CB C 13 33.379 0.076 . 1 . . . . 39 VAL CB . 17723 1 493 . 1 1 39 39 VAL CG1 C 13 21.538 0.052 . 2 . . . . 39 VAL CG1 . 17723 1 494 . 1 1 39 39 VAL CG2 C 13 23.495 0.051 . 2 . . . . 39 VAL CG2 . 17723 1 495 . 1 1 39 39 VAL N N 15 127.920 0.033 . 1 . . . . 39 VAL N . 17723 1 496 . 1 1 40 40 VAL H H 1 8.637 0.002 . 1 . . . . 40 VAL H . 17723 1 497 . 1 1 40 40 VAL HA H 1 4.214 0.004 . 1 . . . . 40 VAL HA . 17723 1 498 . 1 1 40 40 VAL HB H 1 1.747 0.010 . 1 . . . . 40 VAL HB . 17723 1 499 . 1 1 40 40 VAL HG11 H 1 0.746 0.004 . 1 . . . . 40 VAL QG1 . 17723 1 500 . 1 1 40 40 VAL HG12 H 1 0.746 0.004 . 1 . . . . 40 VAL QG1 . 17723 1 501 . 1 1 40 40 VAL HG13 H 1 0.746 0.004 . 1 . . . . 40 VAL QG1 . 17723 1 502 . 1 1 40 40 VAL HG21 H 1 0.704 0.002 . 1 . . . . 40 VAL QG2 . 17723 1 503 . 1 1 40 40 VAL HG22 H 1 0.704 0.002 . 1 . . . . 40 VAL QG2 . 17723 1 504 . 1 1 40 40 VAL HG23 H 1 0.704 0.002 . 1 . . . . 40 VAL QG2 . 17723 1 505 . 1 1 40 40 VAL C C 13 175.841 0.000 . 1 . . . . 40 VAL C . 17723 1 506 . 1 1 40 40 VAL CA C 13 61.422 0.059 . 1 . . . . 40 VAL CA . 17723 1 507 . 1 1 40 40 VAL CB C 13 33.807 0.067 . 1 . . . . 40 VAL CB . 17723 1 508 . 1 1 40 40 VAL CG1 C 13 20.593 0.029 . 2 . . . . 40 VAL CG1 . 17723 1 509 . 1 1 40 40 VAL CG2 C 13 20.764 0.000 . 2 . . . . 40 VAL CG2 . 17723 1 510 . 1 1 40 40 VAL N N 15 127.980 0.044 . 1 . . . . 40 VAL N . 17723 1 511 . 1 1 41 41 SER H H 1 8.184 0.003 . 1 . . . . 41 SER H . 17723 1 512 . 1 1 41 41 SER HA H 1 4.092 0.009 . 1 . . . . 41 SER HA . 17723 1 513 . 1 1 41 41 SER HB2 H 1 2.958 0.001 . 2 . . . . 41 SER QB . 17723 1 514 . 1 1 41 41 SER HB3 H 1 2.958 0.001 . 2 . . . . 41 SER QB . 17723 1 515 . 1 1 41 41 SER C C 13 172.755 0.040 . 1 . . . . 41 SER C . 17723 1 516 . 1 1 41 41 SER CA C 13 57.647 0.025 . 1 . . . . 41 SER CA . 17723 1 517 . 1 1 41 41 SER CB C 13 63.258 0.052 . 1 . . . . 41 SER CB . 17723 1 518 . 1 1 41 41 SER N N 15 120.276 0.019 . 1 . . . . 41 SER N . 17723 1 519 . 1 1 42 42 ASP H H 1 8.314 0.003 . 1 . . . . 42 ASP H . 17723 1 520 . 1 1 42 42 ASP HA H 1 4.815 0.000 . 1 . . . . 42 ASP HA . 17723 1 521 . 1 1 42 42 ASP HB2 H 1 2.661 0.000 . 2 . . . . 42 ASP QB . 17723 1 522 . 1 1 42 42 ASP HB3 H 1 2.661 0.000 . 2 . . . . 42 ASP QB . 17723 1 523 . 1 1 42 42 ASP C C 13 177.699 0.036 . 1 . . . . 42 ASP C . 17723 1 524 . 1 1 42 42 ASP CA C 13 54.629 0.019 . 1 . . . . 42 ASP CA . 17723 1 525 . 1 1 42 42 ASP CB C 13 40.612 0.052 . 1 . . . . 42 ASP CB . 17723 1 526 . 1 1 42 42 ASP N N 15 121.824 0.058 . 1 . . . . 42 ASP N . 17723 1 527 . 1 1 43 43 TRP H H 1 8.337 0.003 . 1 . . . . 43 TRP H . 17723 1 528 . 1 1 43 43 TRP HA H 1 3.492 0.002 . 1 . . . . 43 TRP HA . 17723 1 529 . 1 1 43 43 TRP HB2 H 1 3.083 0.001 . 2 . . . . 43 TRP QB . 17723 1 530 . 1 1 43 43 TRP HB3 H 1 3.083 0.001 . 2 . . . . 43 TRP QB . 17723 1 531 . 1 1 43 43 TRP HD1 H 1 6.905 0.001 . 1 . . . . 43 TRP HD1 . 17723 1 532 . 1 1 43 43 TRP HE1 H 1 9.324 0.002 . 1 . . . . 43 TRP HE1 . 17723 1 533 . 1 1 43 43 TRP HZ2 H 1 6.754 0.000 . 1 . . . . 43 TRP HZ2 . 17723 1 534 . 1 1 43 43 TRP C C 13 172.828 0.027 . 1 . . . . 43 TRP C . 17723 1 535 . 1 1 43 43 TRP CA C 13 58.564 0.046 . 1 . . . . 43 TRP CA . 17723 1 536 . 1 1 43 43 TRP CB C 13 25.314 0.152 . 1 . . . . 43 TRP CB . 17723 1 537 . 1 1 43 43 TRP CD1 C 13 128.191 0.002 . 1 . . . . 43 TRP CD1 . 17723 1 538 . 1 1 43 43 TRP CZ2 C 13 113.991 0.010 . 1 . . . . 43 TRP CZ2 . 17723 1 539 . 1 1 43 43 TRP N N 15 112.170 0.023 . 1 . . . . 43 TRP N . 17723 1 540 . 1 1 43 43 TRP NE1 N 15 126.333 0.000 . 1 . . . . 43 TRP NE1 . 17723 1 541 . 1 1 44 44 LYS H H 1 6.827 0.002 . 1 . . . . 44 LYS H . 17723 1 542 . 1 1 44 44 LYS HA H 1 4.302 0.001 . 1 . . . . 44 LYS HA . 17723 1 543 . 1 1 44 44 LYS HG2 H 1 1.283 0.000 . 2 . . . . 44 LYS QG . 17723 1 544 . 1 1 44 44 LYS HG3 H 1 1.283 0.000 . 2 . . . . 44 LYS QG . 17723 1 545 . 1 1 44 44 LYS HD2 H 1 1.600 0.000 . 2 . . . . 44 LYS QD . 17723 1 546 . 1 1 44 44 LYS HD3 H 1 1.600 0.000 . 2 . . . . 44 LYS QD . 17723 1 547 . 1 1 44 44 LYS C C 13 177.215 0.005 . 1 . . . . 44 LYS C . 17723 1 548 . 1 1 44 44 LYS CA C 13 53.784 0.011 . 1 . . . . 44 LYS CA . 17723 1 549 . 1 1 44 44 LYS CB C 13 34.487 0.030 . 1 . . . . 44 LYS CB . 17723 1 550 . 1 1 44 44 LYS CG C 13 24.200 0.000 . 1 . . . . 44 LYS CG . 17723 1 551 . 1 1 44 44 LYS CD C 13 28.863 0.073 . 1 . . . . 44 LYS CD . 17723 1 552 . 1 1 44 44 LYS CE C 13 42.442 0.000 . 1 . . . . 44 LYS CE . 17723 1 553 . 1 1 44 44 LYS N N 15 113.833 0.026 . 1 . . . . 44 LYS N . 17723 1 554 . 1 1 45 45 GLU H H 1 8.969 0.002 . 1 . . . . 45 GLU H . 17723 1 555 . 1 1 45 45 GLU HA H 1 3.634 0.003 . 1 . . . . 45 GLU HA . 17723 1 556 . 1 1 45 45 GLU HB2 H 1 1.999 0.000 . 2 . . . . 45 GLU QB . 17723 1 557 . 1 1 45 45 GLU HB3 H 1 1.999 0.000 . 2 . . . . 45 GLU QB . 17723 1 558 . 1 1 45 45 GLU HG2 H 1 2.471 0.007 . 2 . . . . 45 GLU HG2 . 17723 1 559 . 1 1 45 45 GLU HG3 H 1 2.085 0.003 . 2 . . . . 45 GLU HG3 . 17723 1 560 . 1 1 45 45 GLU C C 13 178.015 0.010 . 1 . . . . 45 GLU C . 17723 1 561 . 1 1 45 45 GLU CA C 13 59.499 0.042 . 1 . . . . 45 GLU CA . 17723 1 562 . 1 1 45 45 GLU CB C 13 28.968 0.007 . 1 . . . . 45 GLU CB . 17723 1 563 . 1 1 45 45 GLU CG C 13 37.565 0.046 . 1 . . . . 45 GLU CG . 17723 1 564 . 1 1 45 45 GLU N N 15 121.782 0.041 . 1 . . . . 45 GLU N . 17723 1 565 . 1 1 46 46 GLY H H 1 9.198 0.004 . 1 . . . . 46 GLY H . 17723 1 566 . 1 1 46 46 GLY HA2 H 1 4.376 0.004 . 2 . . . . 46 GLY HA2 . 17723 1 567 . 1 1 46 46 GLY HA3 H 1 3.639 0.000 . 2 . . . . 46 GLY HA3 . 17723 1 568 . 1 1 46 46 GLY C C 13 174.906 0.000 . 1 . . . . 46 GLY C . 17723 1 569 . 1 1 46 46 GLY CA C 13 45.107 0.027 . 1 . . . . 46 GLY CA . 17723 1 570 . 1 1 46 46 GLY N N 15 114.365 0.015 . 1 . . . . 46 GLY N . 17723 1 571 . 1 1 47 47 SER H H 1 8.310 0.005 . 1 . . . . 47 SER H . 17723 1 572 . 1 1 47 47 SER HA H 1 4.513 0.006 . 1 . . . . 47 SER HA . 17723 1 573 . 1 1 47 47 SER HB2 H 1 3.933 0.007 . 2 . . . . 47 SER QB . 17723 1 574 . 1 1 47 47 SER HB3 H 1 3.933 0.007 . 2 . . . . 47 SER QB . 17723 1 575 . 1 1 47 47 SER C C 13 173.893 0.030 . 1 . . . . 47 SER C . 17723 1 576 . 1 1 47 47 SER CA C 13 58.755 0.046 . 1 . . . . 47 SER CA . 17723 1 577 . 1 1 47 47 SER CB C 13 64.208 0.051 . 1 . . . . 47 SER CB . 17723 1 578 . 1 1 47 47 SER N N 15 117.398 0.025 . 1 . . . . 47 SER N . 17723 1 579 . 1 1 48 48 GLN H H 1 8.607 0.004 . 1 . . . . 48 GLN H . 17723 1 580 . 1 1 48 48 GLN HA H 1 4.820 0.007 . 1 . . . . 48 GLN HA . 17723 1 581 . 1 1 48 48 GLN HB2 H 1 2.039 0.003 . 2 . . . . 48 GLN QB . 17723 1 582 . 1 1 48 48 GLN HB3 H 1 2.039 0.003 . 2 . . . . 48 GLN QB . 17723 1 583 . 1 1 48 48 GLN HG2 H 1 2.406 0.001 . 2 . . . . 48 GLN QG . 17723 1 584 . 1 1 48 48 GLN HG3 H 1 2.406 0.001 . 2 . . . . 48 GLN QG . 17723 1 585 . 1 1 48 48 GLN HE22 H 1 6.776 0.000 . 2 . . . . 48 GLN HE22 . 17723 1 586 . 1 1 48 48 GLN C C 13 175.999 0.008 . 1 . . . . 48 GLN C . 17723 1 587 . 1 1 48 48 GLN CA C 13 56.326 0.017 . 1 . . . . 48 GLN CA . 17723 1 588 . 1 1 48 48 GLN CB C 13 30.518 0.005 . 1 . . . . 48 GLN CB . 17723 1 589 . 1 1 48 48 GLN CG C 13 34.635 0.027 . 1 . . . . 48 GLN CG . 17723 1 590 . 1 1 48 48 GLN N N 15 121.023 0.022 . 1 . . . . 48 GLN N . 17723 1 591 . 1 1 48 48 GLN NE2 N 15 110.472 0.000 . 1 . . . . 48 GLN NE2 . 17723 1 592 . 1 1 49 49 ILE H H 1 8.490 0.006 . 1 . . . . 49 ILE H . 17723 1 593 . 1 1 49 49 ILE HA H 1 4.304 0.006 . 1 . . . . 49 ILE HA . 17723 1 594 . 1 1 49 49 ILE HB H 1 0.835 0.003 . 1 . . . . 49 ILE HB . 17723 1 595 . 1 1 49 49 ILE HG12 H 1 -1.212 0.007 . 2 . . . . 49 ILE QG1 . 17723 1 596 . 1 1 49 49 ILE HG13 H 1 -1.212 0.007 . 2 . . . . 49 ILE QG1 . 17723 1 597 . 1 1 49 49 ILE C C 13 171.984 0.055 . 1 . . . . 49 ILE C . 17723 1 598 . 1 1 49 49 ILE CA C 13 59.695 0.043 . 1 . . . . 49 ILE CA . 17723 1 599 . 1 1 49 49 ILE CB C 13 40.374 0.068 . 1 . . . . 49 ILE CB . 17723 1 600 . 1 1 49 49 ILE CG1 C 13 26.897 0.059 . 1 . . . . 49 ILE CG1 . 17723 1 601 . 1 1 49 49 ILE N N 15 125.359 0.035 . 1 . . . . 49 ILE N . 17723 1 602 . 1 1 50 50 VAL H H 1 7.466 0.006 . 1 . . . . 50 VAL H . 17723 1 603 . 1 1 50 50 VAL HA H 1 4.999 0.006 . 1 . . . . 50 VAL HA . 17723 1 604 . 1 1 50 50 VAL HB H 1 1.864 0.004 . 1 . . . . 50 VAL HB . 17723 1 605 . 1 1 50 50 VAL HG11 H 1 0.940 0.003 . 1 . . . . 50 VAL QG1 . 17723 1 606 . 1 1 50 50 VAL HG12 H 1 0.940 0.003 . 1 . . . . 50 VAL QG1 . 17723 1 607 . 1 1 50 50 VAL HG13 H 1 0.940 0.003 . 1 . . . . 50 VAL QG1 . 17723 1 608 . 1 1 50 50 VAL HG21 H 1 0.859 0.008 . 1 . . . . 50 VAL QG2 . 17723 1 609 . 1 1 50 50 VAL HG22 H 1 0.859 0.008 . 1 . . . . 50 VAL QG2 . 17723 1 610 . 1 1 50 50 VAL HG23 H 1 0.859 0.008 . 1 . . . . 50 VAL QG2 . 17723 1 611 . 1 1 50 50 VAL C C 13 174.197 0.025 . 1 . . . . 50 VAL C . 17723 1 612 . 1 1 50 50 VAL CA C 13 59.858 0.047 . 1 . . . . 50 VAL CA . 17723 1 613 . 1 1 50 50 VAL CB C 13 36.252 0.045 . 1 . . . . 50 VAL CB . 17723 1 614 . 1 1 50 50 VAL CG1 C 13 21.415 0.000 . 2 . . . . 50 VAL CG1 . 17723 1 615 . 1 1 50 50 VAL CG2 C 13 21.084 0.000 . 2 . . . . 50 VAL CG2 . 17723 1 616 . 1 1 50 50 VAL N N 15 122.381 0.038 . 1 . . . . 50 VAL N . 17723 1 617 . 1 1 51 51 TRP H H 1 8.569 0.007 . 1 . . . . 51 TRP H . 17723 1 618 . 1 1 51 51 TRP HA H 1 4.975 0.005 . 1 . . . . 51 TRP HA . 17723 1 619 . 1 1 51 51 TRP HB2 H 1 3.315 0.007 . 2 . . . . 51 TRP HB2 . 17723 1 620 . 1 1 51 51 TRP HB3 H 1 2.944 0.005 . 2 . . . . 51 TRP HB3 . 17723 1 621 . 1 1 51 51 TRP HD1 H 1 6.871 0.007 . 1 . . . . 51 TRP HD1 . 17723 1 622 . 1 1 51 51 TRP HE1 H 1 10.173 0.013 . 1 . . . . 51 TRP HE1 . 17723 1 623 . 1 1 51 51 TRP HZ2 H 1 6.459 0.004 . 1 . . . . 51 TRP HZ2 . 17723 1 624 . 1 1 51 51 TRP C C 13 175.410 0.003 . 1 . . . . 51 TRP C . 17723 1 625 . 1 1 51 51 TRP CA C 13 56.995 0.046 . 1 . . . . 51 TRP CA . 17723 1 626 . 1 1 51 51 TRP CB C 13 32.402 0.069 . 1 . . . . 51 TRP CB . 17723 1 627 . 1 1 51 51 TRP CD1 C 13 127.316 0.005 . 1 . . . . 51 TRP CD1 . 17723 1 628 . 1 1 51 51 TRP CZ2 C 13 114.948 0.041 . 1 . . . . 51 TRP CZ2 . 17723 1 629 . 1 1 51 51 TRP N N 15 125.077 0.018 . 1 . . . . 51 TRP N . 17723 1 630 . 1 1 51 51 TRP NE1 N 15 128.420 0.016 . 1 . . . . 51 TRP NE1 . 17723 1 631 . 1 1 52 52 LYS H H 1 9.155 0.006 . 1 . . . . 52 LYS H . 17723 1 632 . 1 1 52 52 LYS HA H 1 4.840 0.008 . 1 . . . . 52 LYS HA . 17723 1 633 . 1 1 52 52 LYS HB2 H 1 1.826 0.000 . 2 . . . . 52 LYS QB . 17723 1 634 . 1 1 52 52 LYS HB3 H 1 1.826 0.000 . 2 . . . . 52 LYS QB . 17723 1 635 . 1 1 52 52 LYS C C 13 175.973 0.071 . 1 . . . . 52 LYS C . 17723 1 636 . 1 1 52 52 LYS CA C 13 55.360 0.015 . 1 . . . . 52 LYS CA . 17723 1 637 . 1 1 52 52 LYS CB C 13 34.081 0.017 . 1 . . . . 52 LYS CB . 17723 1 638 . 1 1 52 52 LYS CG C 13 25.071 0.000 . 1 . . . . 52 LYS CG . 17723 1 639 . 1 1 52 52 LYS CD C 13 29.716 0.000 . 1 . . . . 52 LYS CD . 17723 1 640 . 1 1 52 52 LYS CE C 13 42.055 0.000 . 1 . . . . 52 LYS CE . 17723 1 641 . 1 1 52 52 LYS N N 15 122.510 0.024 . 1 . . . . 52 LYS N . 17723 1 642 . 1 1 53 53 GLY H H 1 7.472 0.005 . 1 . . . . 53 GLY H . 17723 1 643 . 1 1 53 53 GLY HA2 H 1 4.458 0.001 . 2 . . . . 53 GLY HA2 . 17723 1 644 . 1 1 53 53 GLY HA3 H 1 3.508 0.008 . 2 . . . . 53 GLY HA3 . 17723 1 645 . 1 1 53 53 GLY C C 13 172.469 0.000 . 1 . . . . 53 GLY C . 17723 1 646 . 1 1 53 53 GLY CA C 13 44.794 0.023 . 1 . . . . 53 GLY CA . 17723 1 647 . 1 1 53 53 GLY N N 15 110.795 0.038 . 1 . . . . 53 GLY N . 17723 1 648 . 1 1 54 54 GLU H H 1 8.558 0.001 . 1 . . . . 54 GLU H . 17723 1 649 . 1 1 54 54 GLU HA H 1 5.122 0.007 . 1 . . . . 54 GLU HA . 17723 1 650 . 1 1 54 54 GLU HB2 H 1 1.806 0.003 . 2 . . . . 54 GLU QB . 17723 1 651 . 1 1 54 54 GLU HB3 H 1 1.806 0.003 . 2 . . . . 54 GLU QB . 17723 1 652 . 1 1 54 54 GLU HG2 H 1 1.996 0.000 . 2 . . . . 54 GLU QG . 17723 1 653 . 1 1 54 54 GLU HG3 H 1 1.996 0.000 . 2 . . . . 54 GLU QG . 17723 1 654 . 1 1 54 54 GLU C C 13 175.365 0.024 . 1 . . . . 54 GLU C . 17723 1 655 . 1 1 54 54 GLU CA C 13 55.544 0.042 . 1 . . . . 54 GLU CA . 17723 1 656 . 1 1 54 54 GLU CB C 13 33.496 0.087 . 1 . . . . 54 GLU CB . 17723 1 657 . 1 1 54 54 GLU CG C 13 36.458 0.043 . 1 . . . . 54 GLU CG . 17723 1 658 . 1 1 54 54 GLU N N 15 120.304 0.015 . 1 . . . . 54 GLU N . 17723 1 659 . 1 1 55 55 TRP H H 1 9.281 0.003 . 1 . . . . 55 TRP H . 17723 1 660 . 1 1 55 55 TRP HA H 1 4.990 0.007 . 1 . . . . 55 TRP HA . 17723 1 661 . 1 1 55 55 TRP HB2 H 1 3.037 0.007 . 2 . . . . 55 TRP QB . 17723 1 662 . 1 1 55 55 TRP HB3 H 1 3.037 0.007 . 2 . . . . 55 TRP QB . 17723 1 663 . 1 1 55 55 TRP HD1 H 1 7.076 0.005 . 1 . . . . 55 TRP HD1 . 17723 1 664 . 1 1 55 55 TRP HE1 H 1 10.031 0.003 . 1 . . . . 55 TRP HE1 . 17723 1 665 . 1 1 55 55 TRP HZ2 H 1 7.356 0.000 . 1 . . . . 55 TRP HZ2 . 17723 1 666 . 1 1 55 55 TRP C C 13 175.619 0.049 . 1 . . . . 55 TRP C . 17723 1 667 . 1 1 55 55 TRP CA C 13 56.557 0.019 . 1 . . . . 55 TRP CA . 17723 1 668 . 1 1 55 55 TRP CB C 13 31.679 0.072 . 1 . . . . 55 TRP CB . 17723 1 669 . 1 1 55 55 TRP CD1 C 13 127.259 0.017 . 1 . . . . 55 TRP CD1 . 17723 1 670 . 1 1 55 55 TRP CZ2 C 13 114.144 0.018 . 1 . . . . 55 TRP CZ2 . 17723 1 671 . 1 1 55 55 TRP N N 15 125.905 0.023 . 1 . . . . 55 TRP N . 17723 1 672 . 1 1 55 55 TRP NE1 N 15 128.794 0.008 . 1 . . . . 55 TRP NE1 . 17723 1 673 . 1 1 56 56 LYS H H 1 8.950 0.004 . 1 . . . . 56 LYS H . 17723 1 674 . 1 1 56 56 LYS HA H 1 3.473 0.004 . 1 . . . . 56 LYS HA . 17723 1 675 . 1 1 56 56 LYS HB2 H 1 1.549 0.004 . 2 . . . . 56 LYS HB2 . 17723 1 676 . 1 1 56 56 LYS HB3 H 1 1.303 0.005 . 2 . . . . 56 LYS HB3 . 17723 1 677 . 1 1 56 56 LYS HG2 H 1 0.373 0.004 . 2 . . . . 56 LYS HG2 . 17723 1 678 . 1 1 56 56 LYS HG3 H 1 0.131 0.008 . 2 . . . . 56 LYS HG3 . 17723 1 679 . 1 1 56 56 LYS HD2 H 1 1.182 0.003 . 2 . . . . 56 LYS QD . 17723 1 680 . 1 1 56 56 LYS HD3 H 1 1.182 0.003 . 2 . . . . 56 LYS QD . 17723 1 681 . 1 1 56 56 LYS HE2 H 1 2.596 0.007 . 2 . . . . 56 LYS HE2 . 17723 1 682 . 1 1 56 56 LYS HE3 H 1 2.491 0.000 . 2 . . . . 56 LYS HE3 . 17723 1 683 . 1 1 56 56 LYS C C 13 177.014 0.026 . 1 . . . . 56 LYS C . 17723 1 684 . 1 1 56 56 LYS CA C 13 56.790 0.064 . 1 . . . . 56 LYS CA . 17723 1 685 . 1 1 56 56 LYS CB C 13 29.624 0.044 . 1 . . . . 56 LYS CB . 17723 1 686 . 1 1 56 56 LYS CG C 13 24.118 0.031 . 1 . . . . 56 LYS CG . 17723 1 687 . 1 1 56 56 LYS CD C 13 28.770 0.083 . 1 . . . . 56 LYS CD . 17723 1 688 . 1 1 56 56 LYS CE C 13 42.075 0.024 . 1 . . . . 56 LYS CE . 17723 1 689 . 1 1 56 56 LYS N N 15 126.990 0.022 . 1 . . . . 56 LYS N . 17723 1 690 . 1 1 57 57 GLY H H 1 8.574 0.002 . 1 . . . . 57 GLY H . 17723 1 691 . 1 1 57 57 GLY HA2 H 1 4.072 0.004 . 2 . . . . 57 GLY HA2 . 17723 1 692 . 1 1 57 57 GLY HA3 H 1 3.557 0.009 . 2 . . . . 57 GLY HA3 . 17723 1 693 . 1 1 57 57 GLY C C 13 174.173 0.000 . 1 . . . . 57 GLY C . 17723 1 694 . 1 1 57 57 GLY CA C 13 45.249 0.041 . 1 . . . . 57 GLY CA . 17723 1 695 . 1 1 57 57 GLY N N 15 103.623 0.082 . 1 . . . . 57 GLY N . 17723 1 696 . 1 1 58 58 LYS H H 1 7.849 0.004 . 1 . . . . 58 LYS H . 17723 1 697 . 1 1 58 58 LYS HA H 1 4.692 0.006 . 1 . . . . 58 LYS HA . 17723 1 698 . 1 1 58 58 LYS HB2 H 1 1.927 0.007 . 2 . . . . 58 LYS QB . 17723 1 699 . 1 1 58 58 LYS HB3 H 1 1.927 0.007 . 2 . . . . 58 LYS QB . 17723 1 700 . 1 1 58 58 LYS HG2 H 1 1.477 0.000 . 2 . . . . 58 LYS QG . 17723 1 701 . 1 1 58 58 LYS HG3 H 1 1.477 0.000 . 2 . . . . 58 LYS QG . 17723 1 702 . 1 1 58 58 LYS HD2 H 1 1.745 0.000 . 2 . . . . 58 LYS QD . 17723 1 703 . 1 1 58 58 LYS HD3 H 1 1.745 0.000 . 2 . . . . 58 LYS QD . 17723 1 704 . 1 1 58 58 LYS C C 13 175.704 0.023 . 1 . . . . 58 LYS C . 17723 1 705 . 1 1 58 58 LYS CA C 13 54.645 0.011 . 1 . . . . 58 LYS CA . 17723 1 706 . 1 1 58 58 LYS CB C 13 34.566 0.020 . 1 . . . . 58 LYS CB . 17723 1 707 . 1 1 58 58 LYS CG C 13 24.468 0.001 . 1 . . . . 58 LYS CG . 17723 1 708 . 1 1 58 58 LYS CD C 13 29.096 0.056 . 1 . . . . 58 LYS CD . 17723 1 709 . 1 1 58 58 LYS CE C 13 42.270 0.000 . 1 . . . . 58 LYS CE . 17723 1 710 . 1 1 58 58 LYS N N 15 121.121 0.020 . 1 . . . . 58 LYS N . 17723 1 711 . 1 1 59 59 ALA H H 1 8.640 0.001 . 1 . . . . 59 ALA H . 17723 1 712 . 1 1 59 59 ALA HA H 1 4.892 0.004 . 1 . . . . 59 ALA HA . 17723 1 713 . 1 1 59 59 ALA HB1 H 1 1.451 0.002 . 1 . . . . 59 ALA QB . 17723 1 714 . 1 1 59 59 ALA HB2 H 1 1.451 0.002 . 1 . . . . 59 ALA QB . 17723 1 715 . 1 1 59 59 ALA HB3 H 1 1.451 0.002 . 1 . . . . 59 ALA QB . 17723 1 716 . 1 1 59 59 ALA C C 13 177.808 0.024 . 1 . . . . 59 ALA C . 17723 1 717 . 1 1 59 59 ALA CA C 13 52.480 0.054 . 1 . . . . 59 ALA CA . 17723 1 718 . 1 1 59 59 ALA CB C 13 19.438 0.049 . 1 . . . . 59 ALA CB . 17723 1 719 . 1 1 59 59 ALA N N 15 128.610 0.026 . 1 . . . . 59 ALA N . 17723 1 720 . 1 1 60 60 TYR H H 1 8.503 0.006 . 1 . . . . 60 TYR H . 17723 1 721 . 1 1 60 60 TYR HA H 1 4.948 0.006 . 1 . . . . 60 TYR HA . 17723 1 722 . 1 1 60 60 TYR HB2 H 1 2.882 0.018 . 2 . . . . 60 TYR QB . 17723 1 723 . 1 1 60 60 TYR HB3 H 1 2.882 0.018 . 2 . . . . 60 TYR QB . 17723 1 724 . 1 1 60 60 TYR HD1 H 1 6.885 0.003 . 3 . . . . 60 TYR QD . 17723 1 725 . 1 1 60 60 TYR HD2 H 1 6.885 0.003 . 3 . . . . 60 TYR QD . 17723 1 726 . 1 1 60 60 TYR HE1 H 1 6.592 0.005 . 3 . . . . 60 TYR QE . 17723 1 727 . 1 1 60 60 TYR HE2 H 1 6.592 0.005 . 3 . . . . 60 TYR QE . 17723 1 728 . 1 1 60 60 TYR C C 13 173.382 0.038 . 1 . . . . 60 TYR C . 17723 1 729 . 1 1 60 60 TYR CA C 13 56.584 0.022 . 1 . . . . 60 TYR CA . 17723 1 730 . 1 1 60 60 TYR CB C 13 42.059 0.047 . 1 . . . . 60 TYR CB . 17723 1 731 . 1 1 60 60 TYR CD1 C 13 133.768 0.011 . 3 . . . . 60 TYR CD1 . 17723 1 732 . 1 1 60 60 TYR CE1 C 13 117.756 0.015 . 3 . . . . 60 TYR CE1 . 17723 1 733 . 1 1 60 60 TYR N N 15 119.201 0.020 . 1 . . . . 60 TYR N . 17723 1 734 . 1 1 61 61 GLU H H 1 8.133 0.003 . 1 . . . . 61 GLU H . 17723 1 735 . 1 1 61 61 GLU HA H 1 5.269 0.006 . 1 . . . . 61 GLU HA . 17723 1 736 . 1 1 61 61 GLU HB2 H 1 1.901 0.004 . 2 . . . . 61 GLU QB . 17723 1 737 . 1 1 61 61 GLU HB3 H 1 1.901 0.004 . 2 . . . . 61 GLU QB . 17723 1 738 . 1 1 61 61 GLU HG2 H 1 2.125 0.000 . 2 . . . . 61 GLU QG . 17723 1 739 . 1 1 61 61 GLU HG3 H 1 2.125 0.000 . 2 . . . . 61 GLU QG . 17723 1 740 . 1 1 61 61 GLU C C 13 175.960 0.000 . 1 . . . . 61 GLU C . 17723 1 741 . 1 1 61 61 GLU CA C 13 55.060 0.092 . 1 . . . . 61 GLU CA . 17723 1 742 . 1 1 61 61 GLU CB C 13 32.893 0.176 . 1 . . . . 61 GLU CB . 17723 1 743 . 1 1 61 61 GLU CG C 13 36.888 0.024 . 1 . . . . 61 GLU CG . 17723 1 744 . 1 1 61 61 GLU N N 15 120.055 0.036 . 1 . . . . 61 GLU N . 17723 1 745 . 1 1 62 62 ASP H H 1 9.218 0.005 . 1 . . . . 62 ASP H . 17723 1 746 . 1 1 62 62 ASP HA H 1 5.387 0.007 . 1 . . . . 62 ASP HA . 17723 1 747 . 1 1 62 62 ASP HB2 H 1 2.977 0.008 . 2 . . . . 62 ASP HB2 . 17723 1 748 . 1 1 62 62 ASP HB3 H 1 2.633 0.004 . 2 . . . . 62 ASP HB3 . 17723 1 749 . 1 1 62 62 ASP C C 13 176.698 0.032 . 1 . . . . 62 ASP C . 17723 1 750 . 1 1 62 62 ASP CA C 13 53.478 0.037 . 1 . . . . 62 ASP CA . 17723 1 751 . 1 1 62 62 ASP CB C 13 42.859 0.044 . 1 . . . . 62 ASP CB . 17723 1 752 . 1 1 62 62 ASP N N 15 126.446 0.063 . 1 . . . . 62 ASP N . 17723 1 753 . 1 1 63 63 LYS H H 1 8.792 0.005 . 1 . . . . 63 LYS H . 17723 1 754 . 1 1 63 63 LYS HA H 1 5.822 0.007 . 1 . . . . 63 LYS HA . 17723 1 755 . 1 1 63 63 LYS HB2 H 1 2.084 0.013 . 2 . . . . 63 LYS QB . 17723 1 756 . 1 1 63 63 LYS HB3 H 1 2.084 0.013 . 2 . . . . 63 LYS QB . 17723 1 757 . 1 1 63 63 LYS HG2 H 1 1.655 0.010 . 2 . . . . 63 LYS QG . 17723 1 758 . 1 1 63 63 LYS HG3 H 1 1.655 0.010 . 2 . . . . 63 LYS QG . 17723 1 759 . 1 1 63 63 LYS HD2 H 1 1.806 0.006 . 2 . . . . 63 LYS QD . 17723 1 760 . 1 1 63 63 LYS HD3 H 1 1.806 0.006 . 2 . . . . 63 LYS QD . 17723 1 761 . 1 1 63 63 LYS C C 13 175.216 0.023 . 1 . . . . 63 LYS C . 17723 1 762 . 1 1 63 63 LYS CA C 13 55.459 0.040 . 1 . . . . 63 LYS CA . 17723 1 763 . 1 1 63 63 LYS CB C 13 37.237 0.043 . 1 . . . . 63 LYS CB . 17723 1 764 . 1 1 63 63 LYS CG C 13 24.051 0.033 . 1 . . . . 63 LYS CG . 17723 1 765 . 1 1 63 63 LYS CD C 13 29.440 0.032 . 1 . . . . 63 LYS CD . 17723 1 766 . 1 1 63 63 LYS CE C 13 42.262 0.000 . 1 . . . . 63 LYS CE . 17723 1 767 . 1 1 63 63 LYS N N 15 117.346 0.061 . 1 . . . . 63 LYS N . 17723 1 768 . 1 1 64 64 GLY H H 1 8.541 0.002 . 1 . . . . 64 GLY H . 17723 1 769 . 1 1 64 64 GLY HA2 H 1 5.051 0.011 . 2 . . . . 64 GLY HA2 . 17723 1 770 . 1 1 64 64 GLY HA3 H 1 4.394 0.001 . 2 . . . . 64 GLY HA3 . 17723 1 771 . 1 1 64 64 GLY C C 13 173.992 0.000 . 1 . . . . 64 GLY C . 17723 1 772 . 1 1 64 64 GLY CA C 13 46.183 0.031 . 1 . . . . 64 GLY CA . 17723 1 773 . 1 1 64 64 GLY N N 15 106.379 0.020 . 1 . . . . 64 GLY N . 17723 1 774 . 1 1 65 65 THR H H 1 8.392 0.003 . 1 . . . . 65 THR H . 17723 1 775 . 1 1 65 65 THR HA H 1 4.978 0.007 . 1 . . . . 65 THR HA . 17723 1 776 . 1 1 65 65 THR HB H 1 3.701 0.005 . 1 . . . . 65 THR HB . 17723 1 777 . 1 1 65 65 THR HG21 H 1 1.010 0.002 . 1 . . . . 65 THR QG2 . 17723 1 778 . 1 1 65 65 THR HG22 H 1 1.010 0.002 . 1 . . . . 65 THR QG2 . 17723 1 779 . 1 1 65 65 THR HG23 H 1 1.010 0.002 . 1 . . . . 65 THR QG2 . 17723 1 780 . 1 1 65 65 THR C C 13 174.024 0.033 . 1 . . . . 65 THR C . 17723 1 781 . 1 1 65 65 THR CA C 13 61.522 0.044 . 1 . . . . 65 THR CA . 17723 1 782 . 1 1 65 65 THR CB C 13 72.461 0.077 . 1 . . . . 65 THR CB . 17723 1 783 . 1 1 65 65 THR CG2 C 13 21.671 0.000 . 1 . . . . 65 THR CG2 . 17723 1 784 . 1 1 65 65 THR N N 15 116.954 0.027 . 1 . . . . 65 THR N . 17723 1 785 . 1 1 66 66 ILE H H 1 8.943 0.004 . 1 . . . . 66 ILE H . 17723 1 786 . 1 1 66 66 ILE HA H 1 4.218 0.006 . 1 . . . . 66 ILE HA . 17723 1 787 . 1 1 66 66 ILE HB H 1 2.384 0.007 . 1 . . . . 66 ILE HB . 17723 1 788 . 1 1 66 66 ILE HG12 H 1 2.390 0.000 . 2 . . . . 66 ILE QG1 . 17723 1 789 . 1 1 66 66 ILE HG13 H 1 2.390 0.000 . 2 . . . . 66 ILE QG1 . 17723 1 790 . 1 1 66 66 ILE HG21 H 1 0.985 0.003 . 1 . . . . 66 ILE QG2 . 17723 1 791 . 1 1 66 66 ILE HG22 H 1 0.985 0.003 . 1 . . . . 66 ILE QG2 . 17723 1 792 . 1 1 66 66 ILE HG23 H 1 0.985 0.003 . 1 . . . . 66 ILE QG2 . 17723 1 793 . 1 1 66 66 ILE HD11 H 1 0.645 0.006 . 1 . . . . 66 ILE QD1 . 17723 1 794 . 1 1 66 66 ILE HD12 H 1 0.645 0.006 . 1 . . . . 66 ILE QD1 . 17723 1 795 . 1 1 66 66 ILE HD13 H 1 0.645 0.006 . 1 . . . . 66 ILE QD1 . 17723 1 796 . 1 1 66 66 ILE C C 13 175.749 0.018 . 1 . . . . 66 ILE C . 17723 1 797 . 1 1 66 66 ILE CA C 13 61.988 0.096 . 1 . . . . 66 ILE CA . 17723 1 798 . 1 1 66 66 ILE CB C 13 35.870 0.064 . 1 . . . . 66 ILE CB . 17723 1 799 . 1 1 66 66 ILE CG1 C 13 27.337 0.106 . 1 . . . . 66 ILE CG1 . 17723 1 800 . 1 1 66 66 ILE CG2 C 13 17.761 0.053 . 1 . . . . 66 ILE CG2 . 17723 1 801 . 1 1 66 66 ILE CD1 C 13 11.334 0.020 . 1 . . . . 66 ILE CD1 . 17723 1 802 . 1 1 66 66 ILE N N 15 124.457 0.032 . 1 . . . . 66 ILE N . 17723 1 803 . 1 1 67 67 LEU H H 1 9.562 0.004 . 1 . . . . 67 LEU H . 17723 1 804 . 1 1 67 67 LEU HA H 1 4.652 0.005 . 1 . . . . 67 LEU HA . 17723 1 805 . 1 1 67 67 LEU HB2 H 1 1.645 0.000 . 2 . . . . 67 LEU QB . 17723 1 806 . 1 1 67 67 LEU HB3 H 1 1.645 0.000 . 2 . . . . 67 LEU QB . 17723 1 807 . 1 1 67 67 LEU C C 13 178.142 0.035 . 1 . . . . 67 LEU C . 17723 1 808 . 1 1 67 67 LEU CA C 13 55.908 0.022 . 1 . . . . 67 LEU CA . 17723 1 809 . 1 1 67 67 LEU CB C 13 43.590 0.045 . 1 . . . . 67 LEU CB . 17723 1 810 . 1 1 67 67 LEU CG C 13 26.514 0.000 . 1 . . . . 67 LEU CG . 17723 1 811 . 1 1 67 67 LEU CD1 C 13 21.985 0.000 . 2 . . . . 67 LEU CD1 . 17723 1 812 . 1 1 67 67 LEU N N 15 131.772 0.038 . 1 . . . . 67 LEU N . 17723 1 813 . 1 1 68 68 GLN H H 1 8.398 0.002 . 1 . . . . 68 GLN H . 17723 1 814 . 1 1 68 68 GLN HA H 1 4.816 0.004 . 1 . . . . 68 GLN HA . 17723 1 815 . 1 1 68 68 GLN HB2 H 1 1.905 0.000 . 2 . . . . 68 GLN QB . 17723 1 816 . 1 1 68 68 GLN HB3 H 1 1.905 0.000 . 2 . . . . 68 GLN QB . 17723 1 817 . 1 1 68 68 GLN HG2 H 1 2.383 0.000 . 2 . . . . 68 GLN HG2 . 17723 1 818 . 1 1 68 68 GLN HG3 H 1 2.226 0.005 . 2 . . . . 68 GLN HG3 . 17723 1 819 . 1 1 68 68 GLN C C 13 173.997 0.029 . 1 . . . . 68 GLN C . 17723 1 820 . 1 1 68 68 GLN CA C 13 56.231 0.033 . 1 . . . . 68 GLN CA . 17723 1 821 . 1 1 68 68 GLN CB C 13 34.323 0.040 . 1 . . . . 68 GLN CB . 17723 1 822 . 1 1 68 68 GLN CG C 13 34.664 0.019 . 1 . . . . 68 GLN CG . 17723 1 823 . 1 1 68 68 GLN N N 15 115.472 0.025 . 1 . . . . 68 GLN N . 17723 1 824 . 1 1 69 69 PHE H H 1 10.053 0.005 . 1 . . . . 69 PHE H . 17723 1 825 . 1 1 69 69 PHE HA H 1 5.006 0.012 . 1 . . . . 69 PHE HA . 17723 1 826 . 1 1 69 69 PHE HB2 H 1 3.602 0.003 . 2 . . . . 69 PHE HB2 . 17723 1 827 . 1 1 69 69 PHE HB3 H 1 2.654 0.006 . 2 . . . . 69 PHE HB3 . 17723 1 828 . 1 1 69 69 PHE HD1 H 1 7.499 0.003 . 3 . . . . 69 PHE QD . 17723 1 829 . 1 1 69 69 PHE HD2 H 1 7.499 0.003 . 3 . . . . 69 PHE QD . 17723 1 830 . 1 1 69 69 PHE HE1 H 1 7.569 0.002 . 3 . . . . 69 PHE QE . 17723 1 831 . 1 1 69 69 PHE HE2 H 1 7.569 0.002 . 3 . . . . 69 PHE QE . 17723 1 832 . 1 1 69 69 PHE C C 13 173.104 0.028 . 1 . . . . 69 PHE C . 17723 1 833 . 1 1 69 69 PHE CA C 13 58.227 0.070 . 1 . . . . 69 PHE CA . 17723 1 834 . 1 1 69 69 PHE CB C 13 41.517 0.033 . 1 . . . . 69 PHE CB . 17723 1 835 . 1 1 69 69 PHE CD1 C 13 132.420 0.069 . 3 . . . . 69 PHE CD1 . 17723 1 836 . 1 1 69 69 PHE CE1 C 13 132.081 0.000 . 3 . . . . 69 PHE CE1 . 17723 1 837 . 1 1 69 69 PHE N N 15 128.412 0.029 . 1 . . . . 69 PHE N . 17723 1 838 . 1 1 70 70 ASN H H 1 8.911 0.004 . 1 . . . . 70 ASN H . 17723 1 839 . 1 1 70 70 ASN HA H 1 5.074 0.007 . 1 . . . . 70 ASN HA . 17723 1 840 . 1 1 70 70 ASN HB2 H 1 2.812 0.000 . 2 . . . . 70 ASN QB . 17723 1 841 . 1 1 70 70 ASN HB3 H 1 2.812 0.000 . 2 . . . . 70 ASN QB . 17723 1 842 . 1 1 70 70 ASN C C 13 173.468 0.161 . 1 . . . . 70 ASN C . 17723 1 843 . 1 1 70 70 ASN CA C 13 51.610 0.024 . 1 . . . . 70 ASN CA . 17723 1 844 . 1 1 70 70 ASN CB C 13 39.035 0.055 . 1 . . . . 70 ASN CB . 17723 1 845 . 1 1 70 70 ASN N N 15 126.014 0.038 . 1 . . . . 70 ASN N . 17723 1 846 . 1 1 71 71 GLU H H 1 8.755 0.004 . 1 . . . . 71 GLU H . 17723 1 847 . 1 1 71 71 GLU HA H 1 2.079 0.004 . 1 . . . . 71 GLU HA . 17723 1 848 . 1 1 71 71 GLU C C 13 175.337 0.027 . 1 . . . . 71 GLU C . 17723 1 849 . 1 1 71 71 GLU CA C 13 58.481 0.079 . 1 . . . . 71 GLU CA . 17723 1 850 . 1 1 71 71 GLU CB C 13 29.568 0.010 . 1 . . . . 71 GLU CB . 17723 1 851 . 1 1 71 71 GLU CG C 13 36.632 0.000 . 1 . . . . 71 GLU CG . 17723 1 852 . 1 1 71 71 GLU N N 15 123.048 0.030 . 1 . . . . 71 GLU N . 17723 1 853 . 1 1 72 72 ARG H H 1 3.566 0.002 . 1 . . . . 72 ARG H . 17723 1 854 . 1 1 72 72 ARG HA H 1 2.697 0.004 . 1 . . . . 72 ARG HA . 17723 1 855 . 1 1 72 72 ARG C C 13 172.764 0.051 . 1 . . . . 72 ARG C . 17723 1 856 . 1 1 72 72 ARG CA C 13 58.228 0.057 . 1 . . . . 72 ARG CA . 17723 1 857 . 1 1 72 72 ARG CB C 13 26.964 0.022 . 1 . . . . 72 ARG CB . 17723 1 858 . 1 1 72 72 ARG CD C 13 43.350 0.000 . 1 . . . . 72 ARG CD . 17723 1 859 . 1 1 72 72 ARG N N 15 110.378 0.024 . 1 . . . . 72 ARG N . 17723 1 860 . 1 1 73 73 SER H H 1 7.497 0.003 . 1 . . . . 73 SER H . 17723 1 861 . 1 1 73 73 SER HA H 1 4.775 0.008 . 1 . . . . 73 SER HA . 17723 1 862 . 1 1 73 73 SER HB2 H 1 3.380 0.008 . 2 . . . . 73 SER QB . 17723 1 863 . 1 1 73 73 SER HB3 H 1 3.380 0.008 . 2 . . . . 73 SER QB . 17723 1 864 . 1 1 73 73 SER C C 13 173.145 0.062 . 1 . . . . 73 SER C . 17723 1 865 . 1 1 73 73 SER CA C 13 60.724 0.068 . 1 . . . . 73 SER CA . 17723 1 866 . 1 1 73 73 SER CB C 13 64.854 0.039 . 1 . . . . 73 SER CB . 17723 1 867 . 1 1 73 73 SER N N 15 110.715 0.026 . 1 . . . . 73 SER N . 17723 1 868 . 1 1 74 74 ILE H H 1 8.346 0.002 . 1 . . . . 74 ILE H . 17723 1 869 . 1 1 74 74 ILE HA H 1 5.419 0.005 . 1 . . . . 74 ILE HA . 17723 1 870 . 1 1 74 74 ILE HB H 1 1.628 0.004 . 1 . . . . 74 ILE HB . 17723 1 871 . 1 1 74 74 ILE HG12 H 1 1.644 0.002 . 2 . . . . 74 ILE HG12 . 17723 1 872 . 1 1 74 74 ILE HG13 H 1 0.863 0.000 . 2 . . . . 74 ILE HG13 . 17723 1 873 . 1 1 74 74 ILE HG21 H 1 0.747 0.000 . 1 . . . . 74 ILE QG2 . 17723 1 874 . 1 1 74 74 ILE HG22 H 1 0.747 0.000 . 1 . . . . 74 ILE QG2 . 17723 1 875 . 1 1 74 74 ILE HG23 H 1 0.747 0.000 . 1 . . . . 74 ILE QG2 . 17723 1 876 . 1 1 74 74 ILE HD11 H 1 0.724 0.007 . 1 . . . . 74 ILE QD1 . 17723 1 877 . 1 1 74 74 ILE HD12 H 1 0.724 0.007 . 1 . . . . 74 ILE QD1 . 17723 1 878 . 1 1 74 74 ILE HD13 H 1 0.724 0.007 . 1 . . . . 74 ILE QD1 . 17723 1 879 . 1 1 74 74 ILE C C 13 172.963 0.060 . 1 . . . . 74 ILE C . 17723 1 880 . 1 1 74 74 ILE CA C 13 60.596 0.049 . 1 . . . . 74 ILE CA . 17723 1 881 . 1 1 74 74 ILE CB C 13 43.145 0.048 . 1 . . . . 74 ILE CB . 17723 1 882 . 1 1 74 74 ILE CG1 C 13 27.593 0.018 . 1 . . . . 74 ILE CG1 . 17723 1 883 . 1 1 74 74 ILE CG2 C 13 16.741 0.050 . 1 . . . . 74 ILE CG2 . 17723 1 884 . 1 1 74 74 ILE CD1 C 13 13.783 0.109 . 1 . . . . 74 ILE CD1 . 17723 1 885 . 1 1 74 74 ILE N N 15 118.079 0.023 . 1 . . . . 74 ILE N . 17723 1 886 . 1 1 75 75 LEU H H 1 9.126 0.004 . 1 . . . . 75 LEU H . 17723 1 887 . 1 1 75 75 LEU HA H 1 5.192 0.007 . 1 . . . . 75 LEU HA . 17723 1 888 . 1 1 75 75 LEU HB2 H 1 1.841 0.009 . 2 . . . . 75 LEU HB2 . 17723 1 889 . 1 1 75 75 LEU HB3 H 1 1.499 0.007 . 2 . . . . 75 LEU HB3 . 17723 1 890 . 1 1 75 75 LEU HG H 1 0.944 0.004 . 1 . . . . 75 LEU HG . 17723 1 891 . 1 1 75 75 LEU HD11 H 1 1.453 0.001 . 1 . . . . 75 LEU QD1 . 17723 1 892 . 1 1 75 75 LEU HD12 H 1 1.453 0.001 . 1 . . . . 75 LEU QD1 . 17723 1 893 . 1 1 75 75 LEU HD13 H 1 1.453 0.001 . 1 . . . . 75 LEU QD1 . 17723 1 894 . 1 1 75 75 LEU CA C 13 53.407 0.052 . 1 . . . . 75 LEU CA . 17723 1 895 . 1 1 75 75 LEU CB C 13 45.680 0.031 . 1 . . . . 75 LEU CB . 17723 1 896 . 1 1 75 75 LEU CG C 13 26.898 0.011 . 1 . . . . 75 LEU CG . 17723 1 897 . 1 1 75 75 LEU CD1 C 13 23.283 0.069 . 2 . . . . 75 LEU CD1 . 17723 1 898 . 1 1 75 75 LEU N N 15 129.169 0.029 . 1 . . . . 75 LEU N . 17723 1 899 . 1 1 76 76 GLN H H 1 9.366 0.006 . 1 . . . . 76 GLN H . 17723 1 900 . 1 1 76 76 GLN HA H 1 5.936 0.012 . 1 . . . . 76 GLN HA . 17723 1 901 . 1 1 76 76 GLN C C 13 175.262 0.000 . 1 . . . . 76 GLN C . 17723 1 902 . 1 1 76 76 GLN CA C 13 53.410 0.038 . 1 . . . . 76 GLN CA . 17723 1 903 . 1 1 76 76 GLN CB C 13 35.097 0.022 . 1 . . . . 76 GLN CB . 17723 1 904 . 1 1 76 76 GLN CG C 13 35.039 0.000 . 1 . . . . 76 GLN CG . 17723 1 905 . 1 1 76 76 GLN N N 15 126.835 0.027 . 1 . . . . 76 GLN N . 17723 1 906 . 1 1 77 77 TYR H H 1 9.328 0.004 . 1 . . . . 77 TYR H . 17723 1 907 . 1 1 77 77 TYR HA H 1 5.736 0.010 . 1 . . . . 77 TYR HA . 17723 1 908 . 1 1 77 77 TYR HB2 H 1 3.473 0.005 . 2 . . . . 77 TYR HB2 . 17723 1 909 . 1 1 77 77 TYR HB3 H 1 3.122 0.006 . 2 . . . . 77 TYR HB3 . 17723 1 910 . 1 1 77 77 TYR HD1 H 1 7.119 0.005 . 3 . . . . 77 TYR QD . 17723 1 911 . 1 1 77 77 TYR HD2 H 1 7.119 0.005 . 3 . . . . 77 TYR QD . 17723 1 912 . 1 1 77 77 TYR HE1 H 1 6.645 0.008 . 3 . . . . 77 TYR QE . 17723 1 913 . 1 1 77 77 TYR HE2 H 1 6.645 0.008 . 3 . . . . 77 TYR QE . 17723 1 914 . 1 1 77 77 TYR C C 13 173.760 0.046 . 1 . . . . 77 TYR C . 17723 1 915 . 1 1 77 77 TYR CA C 13 55.387 0.036 . 1 . . . . 77 TYR CA . 17723 1 916 . 1 1 77 77 TYR CB C 13 40.948 0.040 . 1 . . . . 77 TYR CB . 17723 1 917 . 1 1 77 77 TYR CD1 C 13 134.048 0.013 . 3 . . . . 77 TYR CD1 . 17723 1 918 . 1 1 77 77 TYR CE1 C 13 117.704 0.000 . 3 . . . . 77 TYR CE1 . 17723 1 919 . 1 1 77 77 TYR N N 15 125.474 0.055 . 1 . . . . 77 TYR N . 17723 1 920 . 1 1 78 78 SER H H 1 9.549 0.005 . 1 . . . . 78 SER H . 17723 1 921 . 1 1 78 78 SER HA H 1 5.856 0.009 . 1 . . . . 78 SER HA . 17723 1 922 . 1 1 78 78 SER HB2 H 1 4.370 0.008 . 2 . . . . 78 SER HB2 . 17723 1 923 . 1 1 78 78 SER HB3 H 1 4.122 0.007 . 2 . . . . 78 SER HB3 . 17723 1 924 . 1 1 78 78 SER C C 13 175.108 0.032 . 1 . . . . 78 SER C . 17723 1 925 . 1 1 78 78 SER CA C 13 56.396 0.067 . 1 . . . . 78 SER CA . 17723 1 926 . 1 1 78 78 SER CB C 13 66.202 0.077 . 1 . . . . 78 SER CB . 17723 1 927 . 1 1 78 78 SER N N 15 116.786 0.027 . 1 . . . . 78 SER N . 17723 1 928 . 1 1 79 79 HIS H H 1 9.274 0.008 . 1 . . . . 79 HIS H . 17723 1 929 . 1 1 79 79 HIS HA H 1 5.415 0.010 . 1 . . . . 79 HIS HA . 17723 1 930 . 1 1 79 79 HIS HB2 H 1 3.362 0.009 . 2 . . . . 79 HIS HB2 . 17723 1 931 . 1 1 79 79 HIS HB3 H 1 2.973 0.007 . 2 . . . . 79 HIS HB3 . 17723 1 932 . 1 1 79 79 HIS HD2 H 1 5.990 0.003 . 1 . . . . 79 HIS HD2 . 17723 1 933 . 1 1 79 79 HIS C C 13 172.674 0.013 . 1 . . . . 79 HIS C . 17723 1 934 . 1 1 79 79 HIS CA C 13 58.053 0.075 . 1 . . . . 79 HIS CA . 17723 1 935 . 1 1 79 79 HIS CB C 13 34.435 0.062 . 1 . . . . 79 HIS CB . 17723 1 936 . 1 1 79 79 HIS CD2 C 13 118.241 0.044 . 1 . . . . 79 HIS CD2 . 17723 1 937 . 1 1 79 79 HIS N N 15 117.903 0.052 . 1 . . . . 79 HIS N . 17723 1 938 . 1 1 80 80 PHE H H 1 8.803 0.007 . 1 . . . . 80 PHE H . 17723 1 939 . 1 1 80 80 PHE HA H 1 4.186 0.005 . 1 . . . . 80 PHE HA . 17723 1 940 . 1 1 80 80 PHE HB2 H 1 1.842 0.007 . 2 . . . . 80 PHE HB2 . 17723 1 941 . 1 1 80 80 PHE HB3 H 1 0.981 0.010 . 2 . . . . 80 PHE HB3 . 17723 1 942 . 1 1 80 80 PHE C C 13 173.144 0.071 . 1 . . . . 80 PHE C . 17723 1 943 . 1 1 80 80 PHE CA C 13 56.586 0.036 . 1 . . . . 80 PHE CA . 17723 1 944 . 1 1 80 80 PHE CB C 13 41.088 0.046 . 1 . . . . 80 PHE CB . 17723 1 945 . 1 1 80 80 PHE N N 15 128.993 0.042 . 1 . . . . 80 PHE N . 17723 1 946 . 1 1 81 81 SER H H 1 7.107 0.005 . 1 . . . . 81 SER H . 17723 1 947 . 1 1 81 81 SER HA H 1 5.149 0.008 . 1 . . . . 81 SER HA . 17723 1 948 . 1 1 81 81 SER HB2 H 1 3.236 0.009 . 2 . . . . 81 SER HB2 . 17723 1 949 . 1 1 81 81 SER HB3 H 1 3.191 0.000 . 2 . . . . 81 SER HB3 . 17723 1 950 . 1 1 81 81 SER C C 13 174.636 0.000 . 1 . . . . 81 SER C . 17723 1 951 . 1 1 81 81 SER CA C 13 51.600 0.061 . 1 . . . . 81 SER CA . 17723 1 952 . 1 1 81 81 SER CB C 13 65.842 0.037 . 1 . . . . 81 SER CB . 17723 1 953 . 1 1 81 81 SER N N 15 117.753 0.028 . 1 . . . . 81 SER N . 17723 1 954 . 1 1 82 82 PRO HA H 1 4.268 0.004 . 1 . . . . 82 PRO HA . 17723 1 955 . 1 1 82 82 PRO HB2 H 1 2.468 0.017 . 2 . . . . 82 PRO HB2 . 17723 1 956 . 1 1 82 82 PRO HB3 H 1 2.092 0.005 . 2 . . . . 82 PRO HB3 . 17723 1 957 . 1 1 82 82 PRO HG2 H 1 2.386 0.003 . 2 . . . . 82 PRO HG2 . 17723 1 958 . 1 1 82 82 PRO HG3 H 1 1.949 0.009 . 2 . . . . 82 PRO HG3 . 17723 1 959 . 1 1 82 82 PRO HD2 H 1 3.634 0.012 . 2 . . . . 82 PRO QD . 17723 1 960 . 1 1 82 82 PRO HD3 H 1 3.634 0.012 . 2 . . . . 82 PRO QD . 17723 1 961 . 1 1 82 82 PRO C C 13 178.977 0.000 . 1 . . . . 82 PRO C . 17723 1 962 . 1 1 82 82 PRO CA C 13 63.702 0.094 . 1 . . . . 82 PRO CA . 17723 1 963 . 1 1 82 82 PRO CB C 13 32.346 0.059 . 1 . . . . 82 PRO CB . 17723 1 964 . 1 1 82 82 PRO CG C 13 27.190 0.070 . 1 . . . . 82 PRO CG . 17723 1 965 . 1 1 82 82 PRO CD C 13 52.404 0.041 . 1 . . . . 82 PRO CD . 17723 1 966 . 1 1 83 83 LEU H H 1 7.513 0.007 . 1 . . . . 83 LEU H . 17723 1 967 . 1 1 83 83 LEU HA H 1 3.806 0.003 . 1 . . . . 83 LEU HA . 17723 1 968 . 1 1 83 83 LEU HB2 H 1 1.217 0.004 . 2 . . . . 83 LEU HB2 . 17723 1 969 . 1 1 83 83 LEU HB3 H 1 0.938 0.005 . 2 . . . . 83 LEU HB3 . 17723 1 970 . 1 1 83 83 LEU HG H 1 0.834 0.004 . 1 . . . . 83 LEU HG . 17723 1 971 . 1 1 83 83 LEU HD11 H 1 -0.131 0.007 . 1 . . . . 83 LEU QD1 . 17723 1 972 . 1 1 83 83 LEU HD12 H 1 -0.131 0.007 . 1 . . . . 83 LEU QD1 . 17723 1 973 . 1 1 83 83 LEU HD13 H 1 -0.131 0.007 . 1 . . . . 83 LEU QD1 . 17723 1 974 . 1 1 83 83 LEU HD21 H 1 0.218 0.007 . 1 . . . . 83 LEU QD2 . 17723 1 975 . 1 1 83 83 LEU HD22 H 1 0.218 0.007 . 1 . . . . 83 LEU QD2 . 17723 1 976 . 1 1 83 83 LEU HD23 H 1 0.218 0.007 . 1 . . . . 83 LEU QD2 . 17723 1 977 . 1 1 83 83 LEU C C 13 178.676 0.022 . 1 . . . . 83 LEU C . 17723 1 978 . 1 1 83 83 LEU CA C 13 56.689 0.043 . 1 . . . . 83 LEU CA . 17723 1 979 . 1 1 83 83 LEU CB C 13 40.528 0.041 . 1 . . . . 83 LEU CB . 17723 1 980 . 1 1 83 83 LEU CG C 13 26.848 0.099 . 1 . . . . 83 LEU CG . 17723 1 981 . 1 1 83 83 LEU CD1 C 13 23.873 0.050 . 2 . . . . 83 LEU CD1 . 17723 1 982 . 1 1 83 83 LEU CD2 C 13 21.297 0.065 . 2 . . . . 83 LEU CD2 . 17723 1 983 . 1 1 83 83 LEU N N 15 119.297 0.032 . 1 . . . . 83 LEU N . 17723 1 984 . 1 1 84 84 THR H H 1 7.190 0.017 . 1 . . . . 84 THR H . 17723 1 985 . 1 1 84 84 THR HA H 1 3.983 0.000 . 1 . . . . 84 THR HA . 17723 1 986 . 1 1 84 84 THR HB H 1 4.248 0.002 . 1 . . . . 84 THR HB . 17723 1 987 . 1 1 84 84 THR HG21 H 1 1.210 0.000 . 1 . . . . 84 THR QG2 . 17723 1 988 . 1 1 84 84 THR HG22 H 1 1.210 0.000 . 1 . . . . 84 THR QG2 . 17723 1 989 . 1 1 84 84 THR HG23 H 1 1.210 0.000 . 1 . . . . 84 THR QG2 . 17723 1 990 . 1 1 84 84 THR C C 13 176.477 0.020 . 1 . . . . 84 THR C . 17723 1 991 . 1 1 84 84 THR CA C 13 63.093 0.061 . 1 . . . . 84 THR CA . 17723 1 992 . 1 1 84 84 THR CB C 13 70.202 0.040 . 1 . . . . 84 THR CB . 17723 1 993 . 1 1 84 84 THR CG2 C 13 22.047 0.000 . 1 . . . . 84 THR CG2 . 17723 1 994 . 1 1 84 84 THR N N 15 107.807 0.014 . 1 . . . . 84 THR N . 17723 1 995 . 1 1 85 85 GLY H H 1 7.705 0.003 . 1 . . . . 85 GLY H . 17723 1 996 . 1 1 85 85 GLY HA2 H 1 4.137 0.006 . 2 . . . . 85 GLY HA2 . 17723 1 997 . 1 1 85 85 GLY HA3 H 1 3.720 0.003 . 2 . . . . 85 GLY HA3 . 17723 1 998 . 1 1 85 85 GLY C C 13 174.357 0.000 . 1 . . . . 85 GLY C . 17723 1 999 . 1 1 85 85 GLY CA C 13 45.644 0.022 . 1 . . . . 85 GLY CA . 17723 1 1000 . 1 1 85 85 GLY N N 15 108.038 0.037 . 1 . . . . 85 GLY N . 17723 1 1001 . 1 1 86 86 LYS H H 1 7.767 0.001 . 1 . . . . 86 LYS H . 17723 1 1002 . 1 1 86 86 LYS HA H 1 4.622 0.000 . 1 . . . . 86 LYS HA . 17723 1 1003 . 1 1 86 86 LYS C C 13 174.698 0.000 . 1 . . . . 86 LYS C . 17723 1 1004 . 1 1 86 86 LYS CA C 13 54.302 0.000 . 1 . . . . 86 LYS CA . 17723 1 1005 . 1 1 86 86 LYS CB C 13 32.927 0.000 . 1 . . . . 86 LYS CB . 17723 1 1006 . 1 1 86 86 LYS N N 15 120.785 0.016 . 1 . . . . 86 LYS N . 17723 1 1007 . 1 1 87 87 PRO HA H 1 4.467 0.004 . 1 . . . . 87 PRO HA . 17723 1 1008 . 1 1 87 87 PRO HB2 H 1 1.648 0.002 . 2 . . . . 87 PRO HB2 . 17723 1 1009 . 1 1 87 87 PRO HG2 H 1 1.981 0.000 . 2 . . . . 87 PRO QG . 17723 1 1010 . 1 1 87 87 PRO HG3 H 1 1.981 0.000 . 2 . . . . 87 PRO QG . 17723 1 1011 . 1 1 87 87 PRO C C 13 176.401 0.000 . 1 . . . . 87 PRO C . 17723 1 1012 . 1 1 87 87 PRO CA C 13 62.400 0.083 . 1 . . . . 87 PRO CA . 17723 1 1013 . 1 1 87 87 PRO CB C 13 32.558 0.037 . 1 . . . . 87 PRO CB . 17723 1 1014 . 1 1 87 87 PRO CG C 13 27.645 0.072 . 1 . . . . 87 PRO CG . 17723 1 1015 . 1 1 87 87 PRO CD C 13 50.040 0.000 . 1 . . . . 87 PRO CD . 17723 1 1016 . 1 1 88 88 ASP H H 1 8.378 0.006 . 1 . . . . 88 ASP H . 17723 1 1017 . 1 1 88 88 ASP HA H 1 3.293 0.004 . 1 . . . . 88 ASP HA . 17723 1 1018 . 1 1 88 88 ASP HB2 H 1 2.675 0.004 . 2 . . . . 88 ASP HB2 . 17723 1 1019 . 1 1 88 88 ASP HB3 H 1 2.146 0.004 . 2 . . . . 88 ASP HB3 . 17723 1 1020 . 1 1 88 88 ASP C C 13 174.169 0.077 . 1 . . . . 88 ASP C . 17723 1 1021 . 1 1 88 88 ASP CA C 13 53.265 0.069 . 1 . . . . 88 ASP CA . 17723 1 1022 . 1 1 88 88 ASP CB C 13 38.612 0.059 . 1 . . . . 88 ASP CB . 17723 1 1023 . 1 1 88 88 ASP N N 15 120.132 0.049 . 1 . . . . 88 ASP N . 17723 1 1024 . 1 1 89 89 LEU H H 1 7.267 0.002 . 1 . . . . 89 LEU H . 17723 1 1025 . 1 1 89 89 LEU HA H 1 4.766 0.004 . 1 . . . . 89 LEU HA . 17723 1 1026 . 1 1 89 89 LEU HB2 H 1 1.669 0.002 . 2 . . . . 89 LEU HB2 . 17723 1 1027 . 1 1 89 89 LEU HB3 H 1 1.235 0.012 . 2 . . . . 89 LEU HB3 . 17723 1 1028 . 1 1 89 89 LEU HD11 H 1 0.959 0.000 . 2 . . . . 89 LEU QD1 . 17723 1 1029 . 1 1 89 89 LEU HD12 H 1 0.959 0.000 . 2 . . . . 89 LEU QD1 . 17723 1 1030 . 1 1 89 89 LEU HD13 H 1 0.959 0.000 . 2 . . . . 89 LEU QD1 . 17723 1 1031 . 1 1 89 89 LEU HD21 H 1 0.831 0.001 . 2 . . . . 89 LEU QD2 . 17723 1 1032 . 1 1 89 89 LEU HD22 H 1 0.831 0.001 . 2 . . . . 89 LEU QD2 . 17723 1 1033 . 1 1 89 89 LEU HD23 H 1 0.831 0.001 . 2 . . . . 89 LEU QD2 . 17723 1 1034 . 1 1 89 89 LEU C C 13 175.952 0.000 . 1 . . . . 89 LEU C . 17723 1 1035 . 1 1 89 89 LEU CA C 13 51.767 0.013 . 1 . . . . 89 LEU CA . 17723 1 1036 . 1 1 89 89 LEU CB C 13 45.450 0.030 . 1 . . . . 89 LEU CB . 17723 1 1037 . 1 1 89 89 LEU N N 15 127.936 0.020 . 1 . . . . 89 LEU N . 17723 1 1038 . 1 1 90 90 PRO HA H 1 3.856 0.008 . 1 . . . . 90 PRO HA . 17723 1 1039 . 1 1 90 90 PRO HB2 H 1 2.161 0.001 . 2 . . . . 90 PRO HB2 . 17723 1 1040 . 1 1 90 90 PRO HB3 H 1 1.844 0.003 . 2 . . . . 90 PRO HB3 . 17723 1 1041 . 1 1 90 90 PRO HD3 H 1 3.570 0.000 . 2 . . . . 90 PRO HD3 . 17723 1 1042 . 1 1 90 90 PRO C C 13 179.063 0.000 . 1 . . . . 90 PRO C . 17723 1 1043 . 1 1 90 90 PRO CA C 13 65.817 0.044 . 1 . . . . 90 PRO CA . 17723 1 1044 . 1 1 90 90 PRO CB C 13 31.959 0.150 . 1 . . . . 90 PRO CB . 17723 1 1045 . 1 1 90 90 PRO CG C 13 27.144 0.000 . 1 . . . . 90 PRO CG . 17723 1 1046 . 1 1 90 90 PRO CD C 13 50.138 0.046 . 1 . . . . 90 PRO CD . 17723 1 1047 . 1 1 91 91 GLU H H 1 9.394 0.002 . 1 . . . . 91 GLU H . 17723 1 1048 . 1 1 91 91 GLU HA H 1 4.282 0.002 . 1 . . . . 91 GLU HA . 17723 1 1049 . 1 1 91 91 GLU HB2 H 1 2.077 0.000 . 2 . . . . 91 GLU QB . 17723 1 1050 . 1 1 91 91 GLU HB3 H 1 2.077 0.000 . 2 . . . . 91 GLU QB . 17723 1 1051 . 1 1 91 91 GLU C C 13 176.588 0.014 . 1 . . . . 91 GLU C . 17723 1 1052 . 1 1 91 91 GLU CA C 13 58.161 0.025 . 1 . . . . 91 GLU CA . 17723 1 1053 . 1 1 91 91 GLU CB C 13 28.569 0.009 . 1 . . . . 91 GLU CB . 17723 1 1054 . 1 1 91 91 GLU CG C 13 35.460 0.000 . 1 . . . . 91 GLU CG . 17723 1 1055 . 1 1 91 91 GLU N N 15 115.497 0.033 . 1 . . . . 91 GLU N . 17723 1 1056 . 1 1 92 92 ASN H H 1 8.447 0.003 . 1 . . . . 92 ASN H . 17723 1 1057 . 1 1 92 92 ASN HA H 1 5.205 0.006 . 1 . . . . 92 ASN HA . 17723 1 1058 . 1 1 92 92 ASN HB2 H 1 3.253 0.007 . 2 . . . . 92 ASN HB2 . 17723 1 1059 . 1 1 92 92 ASN HB3 H 1 2.919 0.003 . 2 . . . . 92 ASN HB3 . 17723 1 1060 . 1 1 92 92 ASN C C 13 174.793 0.029 . 1 . . . . 92 ASN C . 17723 1 1061 . 1 1 92 92 ASN CA C 13 52.753 0.037 . 1 . . . . 92 ASN CA . 17723 1 1062 . 1 1 92 92 ASN CB C 13 39.240 0.048 . 1 . . . . 92 ASN CB . 17723 1 1063 . 1 1 92 92 ASN N N 15 116.626 0.017 . 1 . . . . 92 ASN N . 17723 1 1064 . 1 1 93 93 TYR H H 1 7.752 0.007 . 1 . . . . 93 TYR H . 17723 1 1065 . 1 1 93 93 TYR HA H 1 5.062 0.002 . 1 . . . . 93 TYR HA . 17723 1 1066 . 1 1 93 93 TYR HB2 H 1 3.311 0.000 . 2 . . . . 93 TYR HB2 . 17723 1 1067 . 1 1 93 93 TYR HB3 H 1 2.732 0.012 . 2 . . . . 93 TYR HB3 . 17723 1 1068 . 1 1 93 93 TYR HD1 H 1 7.271 0.010 . 3 . . . . 93 TYR QD . 17723 1 1069 . 1 1 93 93 TYR HD2 H 1 7.271 0.010 . 3 . . . . 93 TYR QD . 17723 1 1070 . 1 1 93 93 TYR HE1 H 1 6.449 0.003 . 3 . . . . 93 TYR QE . 17723 1 1071 . 1 1 93 93 TYR HE2 H 1 6.449 0.003 . 3 . . . . 93 TYR QE . 17723 1 1072 . 1 1 93 93 TYR C C 13 176.772 0.013 . 1 . . . . 93 TYR C . 17723 1 1073 . 1 1 93 93 TYR CA C 13 58.323 0.057 . 1 . . . . 93 TYR CA . 17723 1 1074 . 1 1 93 93 TYR CB C 13 38.940 0.047 . 1 . . . . 93 TYR CB . 17723 1 1075 . 1 1 93 93 TYR CD1 C 13 132.761 0.020 . 3 . . . . 93 TYR CD1 . 17723 1 1076 . 1 1 93 93 TYR CE1 C 13 118.897 0.036 . 3 . . . . 93 TYR CE1 . 17723 1 1077 . 1 1 93 93 TYR N N 15 122.121 0.024 . 1 . . . . 93 TYR N . 17723 1 1078 . 1 1 94 94 HIS H H 1 9.198 0.005 . 1 . . . . 94 HIS H . 17723 1 1079 . 1 1 94 94 HIS HA H 1 5.040 0.012 . 1 . . . . 94 HIS HA . 17723 1 1080 . 1 1 94 94 HIS HB2 H 1 3.343 0.007 . 2 . . . . 94 HIS QB . 17723 1 1081 . 1 1 94 94 HIS HB3 H 1 3.343 0.007 . 2 . . . . 94 HIS QB . 17723 1 1082 . 1 1 94 94 HIS HD2 H 1 7.412 0.013 . 1 . . . . 94 HIS HD2 . 17723 1 1083 . 1 1 94 94 HIS HE1 H 1 8.398 0.004 . 1 . . . . 94 HIS HE1 . 17723 1 1084 . 1 1 94 94 HIS C C 13 174.520 0.001 . 1 . . . . 94 HIS C . 17723 1 1085 . 1 1 94 94 HIS CA C 13 53.849 0.023 . 1 . . . . 94 HIS CA . 17723 1 1086 . 1 1 94 94 HIS CB C 13 32.149 0.072 . 1 . . . . 94 HIS CB . 17723 1 1087 . 1 1 94 94 HIS CD2 C 13 122.474 0.060 . 1 . . . . 94 HIS CD2 . 17723 1 1088 . 1 1 94 94 HIS CE1 C 13 137.563 0.078 . 1 . . . . 94 HIS CE1 . 17723 1 1089 . 1 1 94 94 HIS N N 15 119.463 0.050 . 1 . . . . 94 HIS N . 17723 1 1090 . 1 1 95 95 VAL H H 1 9.583 0.004 . 1 . . . . 95 VAL H . 17723 1 1091 . 1 1 95 95 VAL HA H 1 4.425 0.005 . 1 . . . . 95 VAL HA . 17723 1 1092 . 1 1 95 95 VAL HB H 1 2.042 0.007 . 1 . . . . 95 VAL HB . 17723 1 1093 . 1 1 95 95 VAL HG11 H 1 0.885 0.006 . 2 . . . . 95 VAL QG1 . 17723 1 1094 . 1 1 95 95 VAL HG12 H 1 0.885 0.006 . 2 . . . . 95 VAL QG1 . 17723 1 1095 . 1 1 95 95 VAL HG13 H 1 0.885 0.006 . 2 . . . . 95 VAL QG1 . 17723 1 1096 . 1 1 95 95 VAL HG21 H 1 0.614 0.004 . 2 . . . . 95 VAL QG2 . 17723 1 1097 . 1 1 95 95 VAL HG22 H 1 0.614 0.004 . 2 . . . . 95 VAL QG2 . 17723 1 1098 . 1 1 95 95 VAL HG23 H 1 0.614 0.004 . 2 . . . . 95 VAL QG2 . 17723 1 1099 . 1 1 95 95 VAL C C 13 176.546 0.007 . 1 . . . . 95 VAL C . 17723 1 1100 . 1 1 95 95 VAL CA C 13 63.739 0.062 . 1 . . . . 95 VAL CA . 17723 1 1101 . 1 1 95 95 VAL CB C 13 31.824 0.148 . 1 . . . . 95 VAL CB . 17723 1 1102 . 1 1 95 95 VAL CG1 C 13 21.862 0.021 . 2 . . . . 95 VAL CG1 . 17723 1 1103 . 1 1 95 95 VAL CG2 C 13 21.680 0.010 . 2 . . . . 95 VAL CG2 . 17723 1 1104 . 1 1 95 95 VAL N N 15 123.524 0.015 . 1 . . . . 95 VAL N . 17723 1 1105 . 1 1 96 96 VAL H H 1 9.433 0.003 . 1 . . . . 96 VAL H . 17723 1 1106 . 1 1 96 96 VAL HA H 1 4.753 0.006 . 1 . . . . 96 VAL HA . 17723 1 1107 . 1 1 96 96 VAL HB H 1 1.102 0.005 . 1 . . . . 96 VAL HB . 17723 1 1108 . 1 1 96 96 VAL HG11 H 1 0.144 0.004 . 1 . . . . 96 VAL QG1 . 17723 1 1109 . 1 1 96 96 VAL HG12 H 1 0.144 0.004 . 1 . . . . 96 VAL QG1 . 17723 1 1110 . 1 1 96 96 VAL HG13 H 1 0.144 0.004 . 1 . . . . 96 VAL QG1 . 17723 1 1111 . 1 1 96 96 VAL HG21 H 1 0.753 0.000 . 1 . . . . 96 VAL QG2 . 17723 1 1112 . 1 1 96 96 VAL HG22 H 1 0.753 0.000 . 1 . . . . 96 VAL QG2 . 17723 1 1113 . 1 1 96 96 VAL HG23 H 1 0.753 0.000 . 1 . . . . 96 VAL QG2 . 17723 1 1114 . 1 1 96 96 VAL C C 13 174.557 0.039 . 1 . . . . 96 VAL C . 17723 1 1115 . 1 1 96 96 VAL CA C 13 60.936 0.060 . 1 . . . . 96 VAL CA . 17723 1 1116 . 1 1 96 96 VAL CB C 13 32.535 0.050 . 1 . . . . 96 VAL CB . 17723 1 1117 . 1 1 96 96 VAL CG1 C 13 19.774 0.043 . 2 . . . . 96 VAL CG1 . 17723 1 1118 . 1 1 96 96 VAL CG2 C 13 21.495 0.000 . 2 . . . . 96 VAL CG2 . 17723 1 1119 . 1 1 96 96 VAL N N 15 134.616 0.019 . 1 . . . . 96 VAL N . 17723 1 1120 . 1 1 97 97 THR H H 1 8.832 0.006 . 1 . . . . 97 THR H . 17723 1 1121 . 1 1 97 97 THR HA H 1 4.582 0.010 . 1 . . . . 97 THR HA . 17723 1 1122 . 1 1 97 97 THR HB H 1 4.021 0.005 . 1 . . . . 97 THR HB . 17723 1 1123 . 1 1 97 97 THR HG21 H 1 1.024 0.000 . 1 . . . . 97 THR QG2 . 17723 1 1124 . 1 1 97 97 THR HG22 H 1 1.024 0.000 . 1 . . . . 97 THR QG2 . 17723 1 1125 . 1 1 97 97 THR HG23 H 1 1.024 0.000 . 1 . . . . 97 THR QG2 . 17723 1 1126 . 1 1 97 97 THR C C 13 173.629 0.031 . 1 . . . . 97 THR C . 17723 1 1127 . 1 1 97 97 THR CA C 13 62.375 0.069 . 1 . . . . 97 THR CA . 17723 1 1128 . 1 1 97 97 THR CB C 13 69.452 0.065 . 1 . . . . 97 THR CB . 17723 1 1129 . 1 1 97 97 THR CG2 C 13 21.472 0.000 . 1 . . . . 97 THR CG2 . 17723 1 1130 . 1 1 97 97 THR N N 15 122.181 0.042 . 1 . . . . 97 THR N . 17723 1 1131 . 1 1 98 98 ILE H H 1 9.547 0.004 . 1 . . . . 98 ILE H . 17723 1 1132 . 1 1 98 98 ILE HA H 1 4.986 0.006 . 1 . . . . 98 ILE HA . 17723 1 1133 . 1 1 98 98 ILE HB H 1 1.907 0.004 . 1 . . . . 98 ILE HB . 17723 1 1134 . 1 1 98 98 ILE HG12 H 1 1.416 0.001 . 2 . . . . 98 ILE QG1 . 17723 1 1135 . 1 1 98 98 ILE HG13 H 1 1.416 0.001 . 2 . . . . 98 ILE QG1 . 17723 1 1136 . 1 1 98 98 ILE HG21 H 1 0.678 0.007 . 1 . . . . 98 ILE QG2 . 17723 1 1137 . 1 1 98 98 ILE HG22 H 1 0.678 0.007 . 1 . . . . 98 ILE QG2 . 17723 1 1138 . 1 1 98 98 ILE HG23 H 1 0.678 0.007 . 1 . . . . 98 ILE QG2 . 17723 1 1139 . 1 1 98 98 ILE HD11 H 1 0.823 0.007 . 1 . . . . 98 ILE QD1 . 17723 1 1140 . 1 1 98 98 ILE HD12 H 1 0.823 0.007 . 1 . . . . 98 ILE QD1 . 17723 1 1141 . 1 1 98 98 ILE HD13 H 1 0.823 0.007 . 1 . . . . 98 ILE QD1 . 17723 1 1142 . 1 1 98 98 ILE C C 13 174.782 0.015 . 1 . . . . 98 ILE C . 17723 1 1143 . 1 1 98 98 ILE CA C 13 60.784 0.020 . 1 . . . . 98 ILE CA . 17723 1 1144 . 1 1 98 98 ILE CB C 13 39.708 0.064 . 1 . . . . 98 ILE CB . 17723 1 1145 . 1 1 98 98 ILE CG1 C 13 27.992 0.053 . 1 . . . . 98 ILE CG1 . 17723 1 1146 . 1 1 98 98 ILE CG2 C 13 18.310 0.032 . 1 . . . . 98 ILE CG2 . 17723 1 1147 . 1 1 98 98 ILE CD1 C 13 14.410 0.073 . 1 . . . . 98 ILE CD1 . 17723 1 1148 . 1 1 98 98 ILE N N 15 129.776 0.029 . 1 . . . . 98 ILE N . 17723 1 1149 . 1 1 99 99 THR H H 1 9.136 0.003 . 1 . . . . 99 THR H . 17723 1 1150 . 1 1 99 99 THR HA H 1 5.199 0.008 . 1 . . . . 99 THR HA . 17723 1 1151 . 1 1 99 99 THR HB H 1 4.040 0.005 . 1 . . . . 99 THR HB . 17723 1 1152 . 1 1 99 99 THR HG21 H 1 1.101 0.009 . 1 . . . . 99 THR QG2 . 17723 1 1153 . 1 1 99 99 THR HG22 H 1 1.101 0.009 . 1 . . . . 99 THR QG2 . 17723 1 1154 . 1 1 99 99 THR HG23 H 1 1.101 0.009 . 1 . . . . 99 THR QG2 . 17723 1 1155 . 1 1 99 99 THR C C 13 174.732 0.020 . 1 . . . . 99 THR C . 17723 1 1156 . 1 1 99 99 THR CA C 13 60.602 0.105 . 1 . . . . 99 THR CA . 17723 1 1157 . 1 1 99 99 THR CB C 13 70.680 0.137 . 1 . . . . 99 THR CB . 17723 1 1158 . 1 1 99 99 THR CG2 C 13 21.319 0.168 . 1 . . . . 99 THR CG2 . 17723 1 1159 . 1 1 99 99 THR N N 15 119.943 0.019 . 1 . . . . 99 THR N . 17723 1 1160 . 1 1 100 100 LEU H H 1 8.639 0.003 . 1 . . . . 100 LEU H . 17723 1 1161 . 1 1 100 100 LEU HA H 1 5.258 0.009 . 1 . . . . 100 LEU HA . 17723 1 1162 . 1 1 100 100 LEU HB2 H 1 1.693 0.000 . 2 . . . . 100 LEU HB2 . 17723 1 1163 . 1 1 100 100 LEU HB3 H 1 1.207 0.005 . 2 . . . . 100 LEU HB3 . 17723 1 1164 . 1 1 100 100 LEU HG H 1 1.582 0.004 . 1 . . . . 100 LEU HG . 17723 1 1165 . 1 1 100 100 LEU HD11 H 1 0.896 0.001 . 1 . . . . 100 LEU QD1 . 17723 1 1166 . 1 1 100 100 LEU HD12 H 1 0.896 0.001 . 1 . . . . 100 LEU QD1 . 17723 1 1167 . 1 1 100 100 LEU HD13 H 1 0.896 0.001 . 1 . . . . 100 LEU QD1 . 17723 1 1168 . 1 1 100 100 LEU HD21 H 1 0.833 0.002 . 1 . . . . 100 LEU QD2 . 17723 1 1169 . 1 1 100 100 LEU HD22 H 1 0.833 0.002 . 1 . . . . 100 LEU QD2 . 17723 1 1170 . 1 1 100 100 LEU HD23 H 1 0.833 0.002 . 1 . . . . 100 LEU QD2 . 17723 1 1171 . 1 1 100 100 LEU C C 13 176.691 0.016 . 1 . . . . 100 LEU C . 17723 1 1172 . 1 1 100 100 LEU CA C 13 54.350 0.041 . 1 . . . . 100 LEU CA . 17723 1 1173 . 1 1 100 100 LEU CB C 13 44.187 0.052 . 1 . . . . 100 LEU CB . 17723 1 1174 . 1 1 100 100 LEU CG C 13 28.959 0.000 . 1 . . . . 100 LEU CG . 17723 1 1175 . 1 1 100 100 LEU CD1 C 13 25.790 0.096 . 2 . . . . 100 LEU CD1 . 17723 1 1176 . 1 1 100 100 LEU CD2 C 13 27.004 0.092 . 2 . . . . 100 LEU CD2 . 17723 1 1177 . 1 1 100 100 LEU N N 15 125.131 0.019 . 1 . . . . 100 LEU N . 17723 1 1178 . 1 1 101 101 THR H H 1 8.778 0.003 . 1 . . . . 101 THR H . 17723 1 1179 . 1 1 101 101 THR HA H 1 4.425 0.006 . 1 . . . . 101 THR HA . 17723 1 1180 . 1 1 101 101 THR HB H 1 3.921 0.007 . 1 . . . . 101 THR HB . 17723 1 1181 . 1 1 101 101 THR HG21 H 1 1.114 0.007 . 1 . . . . 101 THR QG2 . 17723 1 1182 . 1 1 101 101 THR HG22 H 1 1.114 0.007 . 1 . . . . 101 THR QG2 . 17723 1 1183 . 1 1 101 101 THR HG23 H 1 1.114 0.007 . 1 . . . . 101 THR QG2 . 17723 1 1184 . 1 1 101 101 THR C C 13 173.467 0.041 . 1 . . . . 101 THR C . 17723 1 1185 . 1 1 101 101 THR CA C 13 61.930 0.086 . 1 . . . . 101 THR CA . 17723 1 1186 . 1 1 101 101 THR CB C 13 71.370 0.059 . 1 . . . . 101 THR CB . 17723 1 1187 . 1 1 101 101 THR CG2 C 13 20.945 0.111 . 1 . . . . 101 THR CG2 . 17723 1 1188 . 1 1 101 101 THR N N 15 118.060 0.020 . 1 . . . . 101 THR N . 17723 1 1189 . 1 1 102 102 ALA H H 1 9.228 0.005 . 1 . . . . 102 ALA H . 17723 1 1190 . 1 1 102 102 ALA HA H 1 4.386 0.003 . 1 . . . . 102 ALA HA . 17723 1 1191 . 1 1 102 102 ALA HB1 H 1 1.448 0.004 . 1 . . . . 102 ALA QB . 17723 1 1192 . 1 1 102 102 ALA HB2 H 1 1.448 0.004 . 1 . . . . 102 ALA QB . 17723 1 1193 . 1 1 102 102 ALA HB3 H 1 1.448 0.004 . 1 . . . . 102 ALA QB . 17723 1 1194 . 1 1 102 102 ALA C C 13 176.517 0.020 . 1 . . . . 102 ALA C . 17723 1 1195 . 1 1 102 102 ALA CA C 13 53.486 0.065 . 1 . . . . 102 ALA CA . 17723 1 1196 . 1 1 102 102 ALA CB C 13 18.493 0.046 . 1 . . . . 102 ALA CB . 17723 1 1197 . 1 1 102 102 ALA N N 15 130.832 0.026 . 1 . . . . 102 ALA N . 17723 1 1198 . 1 1 103 103 LEU H H 1 8.289 0.006 . 1 . . . . 103 LEU H . 17723 1 1199 . 1 1 103 103 LEU HA H 1 4.657 0.013 . 1 . . . . 103 LEU HA . 17723 1 1200 . 1 1 103 103 LEU HB2 H 1 1.638 0.000 . 2 . . . . 103 LEU QB . 17723 1 1201 . 1 1 103 103 LEU HB3 H 1 1.638 0.000 . 2 . . . . 103 LEU QB . 17723 1 1202 . 1 1 103 103 LEU HG H 1 0.847 0.009 . 1 . . . . 103 LEU HG . 17723 1 1203 . 1 1 103 103 LEU HD11 H 1 0.768 0.009 . 2 . . . . 103 LEU QD1 . 17723 1 1204 . 1 1 103 103 LEU HD12 H 1 0.768 0.009 . 2 . . . . 103 LEU QD1 . 17723 1 1205 . 1 1 103 103 LEU HD13 H 1 0.768 0.009 . 2 . . . . 103 LEU QD1 . 17723 1 1206 . 1 1 103 103 LEU C C 13 177.611 0.025 . 1 . . . . 103 LEU C . 17723 1 1207 . 1 1 103 103 LEU CA C 13 52.861 0.031 . 1 . . . . 103 LEU CA . 17723 1 1208 . 1 1 103 103 LEU CB C 13 43.077 0.050 . 1 . . . . 103 LEU CB . 17723 1 1209 . 1 1 103 103 LEU CG C 13 26.533 0.077 . 1 . . . . 103 LEU CG . 17723 1 1210 . 1 1 103 103 LEU CD1 C 13 21.717 0.056 . 2 . . . . 103 LEU CD1 . 17723 1 1211 . 1 1 103 103 LEU N N 15 124.885 0.017 . 1 . . . . 103 LEU N . 17723 1 1212 . 1 1 104 104 LYS H H 1 8.334 0.002 . 1 . . . . 104 LYS H . 17723 1 1213 . 1 1 104 104 LYS HA H 1 3.983 0.002 . 1 . . . . 104 LYS HA . 17723 1 1214 . 1 1 104 104 LYS HB2 H 1 1.799 0.000 . 2 . . . . 104 LYS QB . 17723 1 1215 . 1 1 104 104 LYS HB3 H 1 1.799 0.000 . 2 . . . . 104 LYS QB . 17723 1 1216 . 1 1 104 104 LYS HG2 H 1 1.451 0.000 . 2 . . . . 104 LYS QG . 17723 1 1217 . 1 1 104 104 LYS HG3 H 1 1.451 0.000 . 2 . . . . 104 LYS QG . 17723 1 1218 . 1 1 104 104 LYS HD2 H 1 1.665 0.004 . 2 . . . . 104 LYS QD . 17723 1 1219 . 1 1 104 104 LYS HD3 H 1 1.665 0.004 . 2 . . . . 104 LYS QD . 17723 1 1220 . 1 1 104 104 LYS HE2 H 1 2.966 0.001 . 2 . . . . 104 LYS QE . 17723 1 1221 . 1 1 104 104 LYS HE3 H 1 2.966 0.001 . 2 . . . . 104 LYS QE . 17723 1 1222 . 1 1 104 104 LYS C C 13 178.360 0.047 . 1 . . . . 104 LYS C . 17723 1 1223 . 1 1 104 104 LYS CA C 13 59.592 0.045 . 1 . . . . 104 LYS CA . 17723 1 1224 . 1 1 104 104 LYS CB C 13 31.799 0.012 . 1 . . . . 104 LYS CB . 17723 1 1225 . 1 1 104 104 LYS CG C 13 24.876 0.002 . 1 . . . . 104 LYS CG . 17723 1 1226 . 1 1 104 104 LYS CD C 13 28.919 0.069 . 1 . . . . 104 LYS CD . 17723 1 1227 . 1 1 104 104 LYS CE C 13 42.071 0.086 . 1 . . . . 104 LYS CE . 17723 1 1228 . 1 1 104 104 LYS N N 15 120.603 0.021 . 1 . . . . 104 LYS N . 17723 1 1229 . 1 1 105 105 LYS H H 1 7.391 0.003 . 1 . . . . 105 LYS H . 17723 1 1230 . 1 1 105 105 LYS HA H 1 4.353 0.003 . 1 . . . . 105 LYS HA . 17723 1 1231 . 1 1 105 105 LYS HB2 H 1 1.653 0.004 . 2 . . . . 105 LYS QB . 17723 1 1232 . 1 1 105 105 LYS HB3 H 1 1.653 0.004 . 2 . . . . 105 LYS QB . 17723 1 1233 . 1 1 105 105 LYS HG2 H 1 1.257 0.000 . 2 . . . . 105 LYS QG . 17723 1 1234 . 1 1 105 105 LYS HG3 H 1 1.257 0.000 . 2 . . . . 105 LYS QG . 17723 1 1235 . 1 1 105 105 LYS HD2 H 1 1.608 0.003 . 2 . . . . 105 LYS QD . 17723 1 1236 . 1 1 105 105 LYS HD3 H 1 1.608 0.003 . 2 . . . . 105 LYS QD . 17723 1 1237 . 1 1 105 105 LYS HE2 H 1 2.893 0.003 . 2 . . . . 105 LYS QE . 17723 1 1238 . 1 1 105 105 LYS HE3 H 1 2.893 0.003 . 2 . . . . 105 LYS QE . 17723 1 1239 . 1 1 105 105 LYS C C 13 175.422 0.023 . 1 . . . . 105 LYS C . 17723 1 1240 . 1 1 105 105 LYS CA C 13 55.870 0.027 . 1 . . . . 105 LYS CA . 17723 1 1241 . 1 1 105 105 LYS CB C 13 33.833 0.050 . 1 . . . . 105 LYS CB . 17723 1 1242 . 1 1 105 105 LYS CG C 13 24.479 0.034 . 1 . . . . 105 LYS CG . 17723 1 1243 . 1 1 105 105 LYS CD C 13 29.018 0.046 . 1 . . . . 105 LYS CD . 17723 1 1244 . 1 1 105 105 LYS CE C 13 42.072 0.021 . 1 . . . . 105 LYS CE . 17723 1 1245 . 1 1 105 105 LYS N N 15 115.264 0.021 . 1 . . . . 105 LYS N . 17723 1 1246 . 1 1 106 106 GLY H H 1 7.861 0.002 . 1 . . . . 106 GLY H . 17723 1 1247 . 1 1 106 106 GLY HA2 H 1 4.048 0.000 . 2 . . . . 106 GLY QA . 17723 1 1248 . 1 1 106 106 GLY HA3 H 1 4.048 0.000 . 2 . . . . 106 GLY QA . 17723 1 1249 . 1 1 106 106 GLY C C 13 172.263 0.068 . 1 . . . . 106 GLY C . 17723 1 1250 . 1 1 106 106 GLY CA C 13 44.587 0.009 . 1 . . . . 106 GLY CA . 17723 1 1251 . 1 1 106 106 GLY N N 15 110.795 0.020 . 1 . . . . 106 GLY N . 17723 1 1252 . 1 1 107 107 VAL H H 1 8.795 0.001 . 1 . . . . 107 VAL H . 17723 1 1253 . 1 1 107 107 VAL HA H 1 4.561 0.005 . 1 . . . . 107 VAL HA . 17723 1 1254 . 1 1 107 107 VAL HB H 1 1.971 0.006 . 1 . . . . 107 VAL HB . 17723 1 1255 . 1 1 107 107 VAL HG11 H 1 0.778 0.003 . 2 . . . . 107 VAL QG1 . 17723 1 1256 . 1 1 107 107 VAL HG12 H 1 0.778 0.003 . 2 . . . . 107 VAL QG1 . 17723 1 1257 . 1 1 107 107 VAL HG13 H 1 0.778 0.003 . 2 . . . . 107 VAL QG1 . 17723 1 1258 . 1 1 107 107 VAL HG21 H 1 0.997 0.000 . 2 . . . . 107 VAL QG2 . 17723 1 1259 . 1 1 107 107 VAL HG22 H 1 0.997 0.000 . 2 . . . . 107 VAL QG2 . 17723 1 1260 . 1 1 107 107 VAL HG23 H 1 0.997 0.000 . 2 . . . . 107 VAL QG2 . 17723 1 1261 . 1 1 107 107 VAL C C 13 175.089 0.022 . 1 . . . . 107 VAL C . 17723 1 1262 . 1 1 107 107 VAL CA C 13 61.064 0.025 . 1 . . . . 107 VAL CA . 17723 1 1263 . 1 1 107 107 VAL CB C 13 35.937 0.015 . 1 . . . . 107 VAL CB . 17723 1 1264 . 1 1 107 107 VAL CG1 C 13 21.849 0.040 . 2 . . . . 107 VAL CG1 . 17723 1 1265 . 1 1 107 107 VAL N N 15 119.159 0.020 . 1 . . . . 107 VAL N . 17723 1 1266 . 1 1 108 108 GLU H H 1 9.327 0.003 . 1 . . . . 108 GLU H . 17723 1 1267 . 1 1 108 108 GLU HA H 1 4.862 0.000 . 1 . . . . 108 GLU HA . 17723 1 1268 . 1 1 108 108 GLU HB2 H 1 2.049 0.000 . 2 . . . . 108 GLU QB . 17723 1 1269 . 1 1 108 108 GLU HB3 H 1 2.049 0.000 . 2 . . . . 108 GLU QB . 17723 1 1270 . 1 1 108 108 GLU C C 13 175.370 0.061 . 1 . . . . 108 GLU C . 17723 1 1271 . 1 1 108 108 GLU CA C 13 55.699 0.011 . 1 . . . . 108 GLU CA . 17723 1 1272 . 1 1 108 108 GLU CB C 13 32.241 0.007 . 1 . . . . 108 GLU CB . 17723 1 1273 . 1 1 108 108 GLU CG C 13 37.734 0.000 . 1 . . . . 108 GLU CG . 17723 1 1274 . 1 1 108 108 GLU N N 15 128.205 0.023 . 1 . . . . 108 GLU N . 17723 1 1275 . 1 1 109 109 VAL H H 1 9.129 0.002 . 1 . . . . 109 VAL H . 17723 1 1276 . 1 1 109 109 VAL HA H 1 4.657 0.009 . 1 . . . . 109 VAL HA . 17723 1 1277 . 1 1 109 109 VAL HB H 1 1.878 0.011 . 1 . . . . 109 VAL HB . 17723 1 1278 . 1 1 109 109 VAL HG11 H 1 0.630 0.000 . 2 . . . . 109 VAL QG1 . 17723 1 1279 . 1 1 109 109 VAL HG12 H 1 0.630 0.000 . 2 . . . . 109 VAL QG1 . 17723 1 1280 . 1 1 109 109 VAL HG13 H 1 0.630 0.000 . 2 . . . . 109 VAL QG1 . 17723 1 1281 . 1 1 109 109 VAL C C 13 174.216 0.000 . 1 . . . . 109 VAL C . 17723 1 1282 . 1 1 109 109 VAL CA C 13 61.205 0.018 . 1 . . . . 109 VAL CA . 17723 1 1283 . 1 1 109 109 VAL CB C 13 33.023 0.072 . 1 . . . . 109 VAL CB . 17723 1 1284 . 1 1 109 109 VAL CG1 C 13 21.474 0.092 . 2 . . . . 109 VAL CG1 . 17723 1 1285 . 1 1 109 109 VAL N N 15 129.938 0.032 . 1 . . . . 109 VAL N . 17723 1 1286 . 1 1 110 110 GLU H H 1 8.676 0.003 . 1 . . . . 110 GLU H . 17723 1 1287 . 1 1 110 110 GLU HA H 1 4.964 0.008 . 1 . . . . 110 GLU HA . 17723 1 1288 . 1 1 110 110 GLU HB2 H 1 2.061 0.007 . 2 . . . . 110 GLU HB2 . 17723 1 1289 . 1 1 110 110 GLU HB3 H 1 1.715 0.005 . 2 . . . . 110 GLU HB3 . 17723 1 1290 . 1 1 110 110 GLU HG2 H 1 1.999 0.011 . 2 . . . . 110 GLU QG . 17723 1 1291 . 1 1 110 110 GLU HG3 H 1 1.999 0.011 . 2 . . . . 110 GLU QG . 17723 1 1292 . 1 1 110 110 GLU C C 13 173.701 0.022 . 1 . . . . 110 GLU C . 17723 1 1293 . 1 1 110 110 GLU CA C 13 54.438 0.061 . 1 . . . . 110 GLU CA . 17723 1 1294 . 1 1 110 110 GLU CB C 13 32.762 0.115 . 1 . . . . 110 GLU CB . 17723 1 1295 . 1 1 110 110 GLU CG C 13 37.108 0.029 . 1 . . . . 110 GLU CG . 17723 1 1296 . 1 1 110 110 GLU N N 15 126.734 0.017 . 1 . . . . 110 GLU N . 17723 1 1297 . 1 1 111 111 LEU H H 1 9.110 0.006 . 1 . . . . 111 LEU H . 17723 1 1298 . 1 1 111 111 LEU HA H 1 5.484 0.005 . 1 . . . . 111 LEU HA . 17723 1 1299 . 1 1 111 111 LEU HB2 H 1 1.276 0.002 . 2 . . . . 111 LEU HB2 . 17723 1 1300 . 1 1 111 111 LEU HB3 H 1 1.075 0.013 . 2 . . . . 111 LEU HB3 . 17723 1 1301 . 1 1 111 111 LEU HG H 1 0.938 0.001 . 1 . . . . 111 LEU HG . 17723 1 1302 . 1 1 111 111 LEU HD11 H 1 -0.088 0.009 . 1 . . . . 111 LEU QD1 . 17723 1 1303 . 1 1 111 111 LEU HD12 H 1 -0.088 0.009 . 1 . . . . 111 LEU QD1 . 17723 1 1304 . 1 1 111 111 LEU HD13 H 1 -0.088 0.009 . 1 . . . . 111 LEU QD1 . 17723 1 1305 . 1 1 111 111 LEU HD21 H 1 -0.447 0.008 . 1 . . . . 111 LEU QD2 . 17723 1 1306 . 1 1 111 111 LEU HD22 H 1 -0.447 0.008 . 1 . . . . 111 LEU QD2 . 17723 1 1307 . 1 1 111 111 LEU HD23 H 1 -0.447 0.008 . 1 . . . . 111 LEU QD2 . 17723 1 1308 . 1 1 111 111 LEU C C 13 175.879 0.010 . 1 . . . . 111 LEU C . 17723 1 1309 . 1 1 111 111 LEU CA C 13 53.755 0.044 . 1 . . . . 111 LEU CA . 17723 1 1310 . 1 1 111 111 LEU CB C 13 46.252 0.027 . 1 . . . . 111 LEU CB . 17723 1 1311 . 1 1 111 111 LEU CG C 13 27.354 0.000 . 1 . . . . 111 LEU CG . 17723 1 1312 . 1 1 111 111 LEU CD1 C 13 27.401 0.015 . 2 . . . . 111 LEU CD1 . 17723 1 1313 . 1 1 111 111 LEU CD2 C 13 22.113 0.033 . 2 . . . . 111 LEU CD2 . 17723 1 1314 . 1 1 111 111 LEU N N 15 130.950 0.035 . 1 . . . . 111 LEU N . 17723 1 1315 . 1 1 112 112 THR H H 1 8.950 0.002 . 1 . . . . 112 THR H . 17723 1 1316 . 1 1 112 112 THR HA H 1 5.519 0.014 . 1 . . . . 112 THR HA . 17723 1 1317 . 1 1 112 112 THR HB H 1 3.984 0.005 . 1 . . . . 112 THR HB . 17723 1 1318 . 1 1 112 112 THR HG21 H 1 1.076 0.000 . 1 . . . . 112 THR QG2 . 17723 1 1319 . 1 1 112 112 THR HG22 H 1 1.076 0.000 . 1 . . . . 112 THR QG2 . 17723 1 1320 . 1 1 112 112 THR HG23 H 1 1.076 0.000 . 1 . . . . 112 THR QG2 . 17723 1 1321 . 1 1 112 112 THR C C 13 174.046 0.030 . 1 . . . . 112 THR C . 17723 1 1322 . 1 1 112 112 THR CA C 13 58.822 0.041 . 1 . . . . 112 THR CA . 17723 1 1323 . 1 1 112 112 THR CB C 13 72.132 0.114 . 1 . . . . 112 THR CB . 17723 1 1324 . 1 1 112 112 THR CG2 C 13 21.522 0.000 . 1 . . . . 112 THR CG2 . 17723 1 1325 . 1 1 112 112 THR N N 15 115.459 0.024 . 1 . . . . 112 THR N . 17723 1 1326 . 1 1 113 113 GLN H H 1 8.885 0.006 . 1 . . . . 113 GLN H . 17723 1 1327 . 1 1 113 113 GLN HA H 1 5.376 0.004 . 1 . . . . 113 GLN HA . 17723 1 1328 . 1 1 113 113 GLN HB2 H 1 1.784 0.003 . 2 . . . . 113 GLN QB . 17723 1 1329 . 1 1 113 113 GLN HB3 H 1 1.784 0.003 . 2 . . . . 113 GLN QB . 17723 1 1330 . 1 1 113 113 GLN HG2 H 1 2.324 0.008 . 2 . . . . 113 GLN HG2 . 17723 1 1331 . 1 1 113 113 GLN HG3 H 1 2.076 0.000 . 2 . . . . 113 GLN HG3 . 17723 1 1332 . 1 1 113 113 GLN HE21 H 1 7.401 0.001 . 2 . . . . 113 GLN HE21 . 17723 1 1333 . 1 1 113 113 GLN HE22 H 1 6.577 0.002 . 2 . . . . 113 GLN HE22 . 17723 1 1334 . 1 1 113 113 GLN C C 13 175.760 0.047 . 1 . . . . 113 GLN C . 17723 1 1335 . 1 1 113 113 GLN CA C 13 54.910 0.042 . 1 . . . . 113 GLN CA . 17723 1 1336 . 1 1 113 113 GLN CB C 13 32.395 0.015 . 1 . . . . 113 GLN CB . 17723 1 1337 . 1 1 113 113 GLN CG C 13 34.624 0.058 . 1 . . . . 113 GLN CG . 17723 1 1338 . 1 1 113 113 GLN N N 15 121.021 0.022 . 1 . . . . 113 GLN N . 17723 1 1339 . 1 1 113 113 GLN NE2 N 15 112.992 0.082 . 1 . . . . 113 GLN NE2 . 17723 1 1340 . 1 1 114 114 ASP H H 1 8.416 0.002 . 1 . . . . 114 ASP H . 17723 1 1341 . 1 1 114 114 ASP HA H 1 4.834 0.005 . 1 . . . . 114 ASP HA . 17723 1 1342 . 1 1 114 114 ASP HB2 H 1 3.286 0.004 . 2 . . . . 114 ASP HB2 . 17723 1 1343 . 1 1 114 114 ASP HB3 H 1 2.615 0.002 . 2 . . . . 114 ASP HB3 . 17723 1 1344 . 1 1 114 114 ASP C C 13 175.645 0.030 . 1 . . . . 114 ASP C . 17723 1 1345 . 1 1 114 114 ASP CA C 13 52.858 0.023 . 1 . . . . 114 ASP CA . 17723 1 1346 . 1 1 114 114 ASP CB C 13 42.279 0.057 . 1 . . . . 114 ASP CB . 17723 1 1347 . 1 1 114 114 ASP N N 15 130.828 0.024 . 1 . . . . 114 ASP N . 17723 1 1348 . 1 1 115 115 ASN H H 1 8.634 0.002 . 1 . . . . 115 ASN H . 17723 1 1349 . 1 1 115 115 ASN HA H 1 4.293 0.004 . 1 . . . . 115 ASN HA . 17723 1 1350 . 1 1 115 115 ASN HB2 H 1 3.310 0.004 . 2 . . . . 115 ASN HB2 . 17723 1 1351 . 1 1 115 115 ASN HB3 H 1 2.627 0.002 . 2 . . . . 115 ASN HB3 . 17723 1 1352 . 1 1 115 115 ASN HD21 H 1 7.184 0.001 . 2 . . . . 115 ASN HD21 . 17723 1 1353 . 1 1 115 115 ASN HD22 H 1 6.718 0.002 . 2 . . . . 115 ASN HD22 . 17723 1 1354 . 1 1 115 115 ASN C C 13 174.440 0.060 . 1 . . . . 115 ASN C . 17723 1 1355 . 1 1 115 115 ASN CA C 13 53.746 0.020 . 1 . . . . 115 ASN CA . 17723 1 1356 . 1 1 115 115 ASN CB C 13 37.218 0.063 . 1 . . . . 115 ASN CB . 17723 1 1357 . 1 1 115 115 ASN N N 15 111.040 0.030 . 1 . . . . 115 ASN N . 17723 1 1358 . 1 1 115 115 ASN ND2 N 15 109.255 0.001 . 1 . . . . 115 ASN ND2 . 17723 1 1359 . 1 1 116 116 ASN H H 1 8.017 0.005 . 1 . . . . 116 ASN H . 17723 1 1360 . 1 1 116 116 ASN HA H 1 5.105 0.006 . 1 . . . . 116 ASN HA . 17723 1 1361 . 1 1 116 116 ASN HB2 H 1 2.813 0.009 . 2 . . . . 116 ASN HB2 . 17723 1 1362 . 1 1 116 116 ASN HB3 H 1 2.203 0.004 . 2 . . . . 116 ASN HB3 . 17723 1 1363 . 1 1 116 116 ASN HD21 H 1 7.685 0.011 . 2 . . . . 116 ASN HD21 . 17723 1 1364 . 1 1 116 116 ASN HD22 H 1 5.841 0.003 . 2 . . . . 116 ASN HD22 . 17723 1 1365 . 1 1 116 116 ASN C C 13 175.411 0.043 . 1 . . . . 116 ASN C . 17723 1 1366 . 1 1 116 116 ASN CA C 13 52.816 0.079 . 1 . . . . 116 ASN CA . 17723 1 1367 . 1 1 116 116 ASN CB C 13 39.703 0.042 . 1 . . . . 116 ASN CB . 17723 1 1368 . 1 1 116 116 ASN N N 15 114.579 0.016 . 1 . . . . 116 ASN N . 17723 1 1369 . 1 1 116 116 ASN ND2 N 15 113.741 0.012 . 1 . . . . 116 ASN ND2 . 17723 1 1370 . 1 1 117 117 GLU H H 1 9.385 0.003 . 1 . . . . 117 GLU H . 17723 1 1371 . 1 1 117 117 GLU HA H 1 4.175 0.007 . 1 . . . . 117 GLU HA . 17723 1 1372 . 1 1 117 117 GLU HB2 H 1 2.163 0.002 . 2 . . . . 117 GLU QB . 17723 1 1373 . 1 1 117 117 GLU HB3 H 1 2.163 0.002 . 2 . . . . 117 GLU QB . 17723 1 1374 . 1 1 117 117 GLU HG2 H 1 2.384 0.000 . 2 . . . . 117 GLU QG . 17723 1 1375 . 1 1 117 117 GLU HG3 H 1 2.384 0.000 . 2 . . . . 117 GLU QG . 17723 1 1376 . 1 1 117 117 GLU C C 13 176.521 0.035 . 1 . . . . 117 GLU C . 17723 1 1377 . 1 1 117 117 GLU CA C 13 59.153 0.029 . 1 . . . . 117 GLU CA . 17723 1 1378 . 1 1 117 117 GLU CB C 13 31.370 0.039 . 1 . . . . 117 GLU CB . 17723 1 1379 . 1 1 117 117 GLU CG C 13 36.694 0.094 . 1 . . . . 117 GLU CG . 17723 1 1380 . 1 1 117 117 GLU N N 15 123.290 0.021 . 1 . . . . 117 GLU N . 17723 1 1381 . 1 1 118 118 THR H H 1 7.112 0.003 . 1 . . . . 118 THR H . 17723 1 1382 . 1 1 118 118 THR HA H 1 4.718 0.012 . 1 . . . . 118 THR HA . 17723 1 1383 . 1 1 118 118 THR HG21 H 1 1.246 0.003 . 1 . . . . 118 THR QG2 . 17723 1 1384 . 1 1 118 118 THR HG22 H 1 1.246 0.003 . 1 . . . . 118 THR QG2 . 17723 1 1385 . 1 1 118 118 THR HG23 H 1 1.246 0.003 . 1 . . . . 118 THR QG2 . 17723 1 1386 . 1 1 118 118 THR C C 13 175.154 0.042 . 1 . . . . 118 THR C . 17723 1 1387 . 1 1 118 118 THR CA C 13 58.560 0.055 . 1 . . . . 118 THR CA . 17723 1 1388 . 1 1 118 118 THR CB C 13 73.770 0.089 . 1 . . . . 118 THR CB . 17723 1 1389 . 1 1 118 118 THR CG2 C 13 21.950 0.072 . 1 . . . . 118 THR CG2 . 17723 1 1390 . 1 1 118 118 THR N N 15 103.186 0.018 . 1 . . . . 118 THR N . 17723 1 1391 . 1 1 119 119 GLU H H 1 9.312 0.002 . 1 . . . . 119 GLU H . 17723 1 1392 . 1 1 119 119 GLU HA H 1 4.051 0.008 . 1 . . . . 119 GLU HA . 17723 1 1393 . 1 1 119 119 GLU HB2 H 1 2.061 0.000 . 2 . . . . 119 GLU QB . 17723 1 1394 . 1 1 119 119 GLU HB3 H 1 2.061 0.000 . 2 . . . . 119 GLU QB . 17723 1 1395 . 1 1 119 119 GLU HG2 H 1 2.325 0.001 . 2 . . . . 119 GLU QG . 17723 1 1396 . 1 1 119 119 GLU HG3 H 1 2.325 0.001 . 2 . . . . 119 GLU QG . 17723 1 1397 . 1 1 119 119 GLU C C 13 178.392 0.007 . 1 . . . . 119 GLU C . 17723 1 1398 . 1 1 119 119 GLU CA C 13 59.562 0.049 . 1 . . . . 119 GLU CA . 17723 1 1399 . 1 1 119 119 GLU CB C 13 29.409 0.023 . 1 . . . . 119 GLU CB . 17723 1 1400 . 1 1 119 119 GLU CG C 13 37.038 0.074 . 1 . . . . 119 GLU CG . 17723 1 1401 . 1 1 119 119 GLU N N 15 123.167 0.043 . 1 . . . . 119 GLU N . 17723 1 1402 . 1 1 120 120 LYS H H 1 8.104 0.004 . 1 . . . . 120 LYS H . 17723 1 1403 . 1 1 120 120 LYS HA H 1 3.971 0.004 . 1 . . . . 120 LYS HA . 17723 1 1404 . 1 1 120 120 LYS C C 13 179.466 0.009 . 1 . . . . 120 LYS C . 17723 1 1405 . 1 1 120 120 LYS CA C 13 59.795 0.051 . 1 . . . . 120 LYS CA . 17723 1 1406 . 1 1 120 120 LYS CB C 13 32.363 0.047 . 1 . . . . 120 LYS CB . 17723 1 1407 . 1 1 120 120 LYS N N 15 119.748 0.023 . 1 . . . . 120 LYS N . 17723 1 1408 . 1 1 121 121 GLU H H 1 7.847 0.002 . 1 . . . . 121 GLU H . 17723 1 1409 . 1 1 121 121 GLU HA H 1 4.112 0.000 . 1 . . . . 121 GLU HA . 17723 1 1410 . 1 1 121 121 GLU HB2 H 1 2.202 0.001 . 2 . . . . 121 GLU QB . 17723 1 1411 . 1 1 121 121 GLU HB3 H 1 2.202 0.001 . 2 . . . . 121 GLU QB . 17723 1 1412 . 1 1 121 121 GLU C C 13 179.377 0.029 . 1 . . . . 121 GLU C . 17723 1 1413 . 1 1 121 121 GLU CA C 13 59.610 0.002 . 1 . . . . 121 GLU CA . 17723 1 1414 . 1 1 121 121 GLU CB C 13 30.269 0.030 . 1 . . . . 121 GLU CB . 17723 1 1415 . 1 1 121 121 GLU CG C 13 36.816 0.000 . 1 . . . . 121 GLU CG . 17723 1 1416 . 1 1 121 121 GLU N N 15 120.125 0.023 . 1 . . . . 121 GLU N . 17723 1 1417 . 1 1 122 122 GLN H H 1 8.314 0.002 . 1 . . . . 122 GLN H . 17723 1 1418 . 1 1 122 122 GLN HA H 1 3.651 0.003 . 1 . . . . 122 GLN HA . 17723 1 1419 . 1 1 122 122 GLN HB2 H 1 2.644 0.004 . 2 . . . . 122 GLN HB2 . 17723 1 1420 . 1 1 122 122 GLN HB3 H 1 1.703 0.000 . 2 . . . . 122 GLN HB3 . 17723 1 1421 . 1 1 122 122 GLN HG2 H 1 2.050 0.000 . 2 . . . . 122 GLN QG . 17723 1 1422 . 1 1 122 122 GLN HG3 H 1 2.050 0.000 . 2 . . . . 122 GLN QG . 17723 1 1423 . 1 1 122 122 GLN C C 13 177.676 0.015 . 1 . . . . 122 GLN C . 17723 1 1424 . 1 1 122 122 GLN CA C 13 59.794 0.049 . 1 . . . . 122 GLN CA . 17723 1 1425 . 1 1 122 122 GLN CB C 13 28.656 0.047 . 1 . . . . 122 GLN CB . 17723 1 1426 . 1 1 122 122 GLN CG C 13 32.191 0.095 . 1 . . . . 122 GLN CG . 17723 1 1427 . 1 1 122 122 GLN N N 15 121.528 0.030 . 1 . . . . 122 GLN N . 17723 1 1428 . 1 1 123 123 LYS H H 1 8.579 0.002 . 1 . . . . 123 LYS H . 17723 1 1429 . 1 1 123 123 LYS HA H 1 4.063 0.008 . 1 . . . . 123 LYS HA . 17723 1 1430 . 1 1 123 123 LYS HB2 H 1 1.923 0.008 . 2 . . . . 123 LYS QB . 17723 1 1431 . 1 1 123 123 LYS HB3 H 1 1.923 0.008 . 2 . . . . 123 LYS QB . 17723 1 1432 . 1 1 123 123 LYS HG2 H 1 1.528 0.000 . 2 . . . . 123 LYS QG . 17723 1 1433 . 1 1 123 123 LYS HG3 H 1 1.528 0.000 . 2 . . . . 123 LYS QG . 17723 1 1434 . 1 1 123 123 LYS HD2 H 1 1.657 0.000 . 2 . . . . 123 LYS QD . 17723 1 1435 . 1 1 123 123 LYS HD3 H 1 1.657 0.000 . 2 . . . . 123 LYS QD . 17723 1 1436 . 1 1 123 123 LYS C C 13 179.082 0.007 . 1 . . . . 123 LYS C . 17723 1 1437 . 1 1 123 123 LYS CA C 13 58.650 0.027 . 1 . . . . 123 LYS CA . 17723 1 1438 . 1 1 123 123 LYS CB C 13 31.615 0.056 . 1 . . . . 123 LYS CB . 17723 1 1439 . 1 1 123 123 LYS CG C 13 24.846 0.042 . 1 . . . . 123 LYS CG . 17723 1 1440 . 1 1 123 123 LYS CD C 13 27.992 0.006 . 1 . . . . 123 LYS CD . 17723 1 1441 . 1 1 123 123 LYS CE C 13 42.337 0.000 . 1 . . . . 123 LYS CE . 17723 1 1442 . 1 1 123 123 LYS N N 15 118.895 0.022 . 1 . . . . 123 LYS N . 17723 1 1443 . 1 1 124 124 HIS H H 1 8.223 0.007 . 1 . . . . 124 HIS H . 17723 1 1444 . 1 1 124 124 HIS HA H 1 4.383 0.005 . 1 . . . . 124 HIS HA . 17723 1 1445 . 1 1 124 124 HIS HB2 H 1 3.204 0.004 . 2 . . . . 124 HIS QB . 17723 1 1446 . 1 1 124 124 HIS HB3 H 1 3.204 0.004 . 2 . . . . 124 HIS QB . 17723 1 1447 . 1 1 124 124 HIS HD2 H 1 7.055 0.001 . 1 . . . . 124 HIS HD2 . 17723 1 1448 . 1 1 124 124 HIS C C 13 178.144 0.004 . 1 . . . . 124 HIS C . 17723 1 1449 . 1 1 124 124 HIS CA C 13 59.244 0.045 . 1 . . . . 124 HIS CA . 17723 1 1450 . 1 1 124 124 HIS CB C 13 29.433 0.025 . 1 . . . . 124 HIS CB . 17723 1 1451 . 1 1 124 124 HIS CD2 C 13 120.640 0.044 . 1 . . . . 124 HIS CD2 . 17723 1 1452 . 1 1 124 124 HIS N N 15 119.152 0.042 . 1 . . . . 124 HIS N . 17723 1 1453 . 1 1 125 125 SER H H 1 8.354 0.002 . 1 . . . . 125 SER H . 17723 1 1454 . 1 1 125 125 SER HA H 1 4.085 0.004 . 1 . . . . 125 SER HA . 17723 1 1455 . 1 1 125 125 SER HB2 H 1 3.779 0.002 . 2 . . . . 125 SER QB . 17723 1 1456 . 1 1 125 125 SER HB3 H 1 3.779 0.002 . 2 . . . . 125 SER QB . 17723 1 1457 . 1 1 125 125 SER C C 13 176.323 0.002 . 1 . . . . 125 SER C . 17723 1 1458 . 1 1 125 125 SER CA C 13 61.914 0.000 . 1 . . . . 125 SER CA . 17723 1 1459 . 1 1 125 125 SER CB C 13 62.679 0.000 . 1 . . . . 125 SER CB . 17723 1 1460 . 1 1 125 125 SER N N 15 115.513 0.026 . 1 . . . . 125 SER N . 17723 1 1461 . 1 1 126 126 GLU H H 1 8.404 0.004 . 1 . . . . 126 GLU H . 17723 1 1462 . 1 1 126 126 GLU HA H 1 3.746 0.003 . 1 . . . . 126 GLU HA . 17723 1 1463 . 1 1 126 126 GLU HB2 H 1 2.297 0.000 . 2 . . . . 126 GLU HB2 . 17723 1 1464 . 1 1 126 126 GLU HB3 H 1 1.978 0.000 . 2 . . . . 126 GLU HB3 . 17723 1 1465 . 1 1 126 126 GLU HG2 H 1 2.697 0.000 . 2 . . . . 126 GLU HG2 . 17723 1 1466 . 1 1 126 126 GLU HG3 H 1 2.100 0.000 . 2 . . . . 126 GLU HG3 . 17723 1 1467 . 1 1 126 126 GLU C C 13 178.371 0.020 . 1 . . . . 126 GLU C . 17723 1 1468 . 1 1 126 126 GLU CA C 13 60.717 0.047 . 1 . . . . 126 GLU CA . 17723 1 1469 . 1 1 126 126 GLU CB C 13 29.190 0.014 . 1 . . . . 126 GLU CB . 17723 1 1470 . 1 1 126 126 GLU CG C 13 38.210 0.069 . 1 . . . . 126 GLU CG . 17723 1 1471 . 1 1 126 126 GLU N N 15 121.335 0.032 . 1 . . . . 126 GLU N . 17723 1 1472 . 1 1 127 127 ASP H H 1 8.343 0.001 . 1 . . . . 127 ASP H . 17723 1 1473 . 1 1 127 127 ASP HA H 1 4.420 0.002 . 1 . . . . 127 ASP HA . 17723 1 1474 . 1 1 127 127 ASP HB2 H 1 2.728 0.000 . 2 . . . . 127 ASP QB . 17723 1 1475 . 1 1 127 127 ASP HB3 H 1 2.728 0.000 . 2 . . . . 127 ASP QB . 17723 1 1476 . 1 1 127 127 ASP C C 13 179.329 0.001 . 1 . . . . 127 ASP C . 17723 1 1477 . 1 1 127 127 ASP CA C 13 57.652 0.027 . 1 . . . . 127 ASP CA . 17723 1 1478 . 1 1 127 127 ASP CB C 13 40.305 0.038 . 1 . . . . 127 ASP CB . 17723 1 1479 . 1 1 127 127 ASP N N 15 119.241 0.024 . 1 . . . . 127 ASP N . 17723 1 1480 . 1 1 128 128 ASN H H 1 7.960 0.003 . 1 . . . . 128 ASN H . 17723 1 1481 . 1 1 128 128 ASN HA H 1 4.248 0.002 . 1 . . . . 128 ASN HA . 17723 1 1482 . 1 1 128 128 ASN HB2 H 1 2.428 0.008 . 2 . . . . 128 ASN HB2 . 17723 1 1483 . 1 1 128 128 ASN HB3 H 1 2.298 0.005 . 2 . . . . 128 ASN HB3 . 17723 1 1484 . 1 1 128 128 ASN HD21 H 1 6.521 0.001 . 2 . . . . 128 ASN HD21 . 17723 1 1485 . 1 1 128 128 ASN HD22 H 1 6.041 0.000 . 2 . . . . 128 ASN HD22 . 17723 1 1486 . 1 1 128 128 ASN C C 13 178.920 0.028 . 1 . . . . 128 ASN C . 17723 1 1487 . 1 1 128 128 ASN CA C 13 56.280 0.013 . 1 . . . . 128 ASN CA . 17723 1 1488 . 1 1 128 128 ASN CB C 13 38.164 0.035 . 1 . . . . 128 ASN CB . 17723 1 1489 . 1 1 128 128 ASN N N 15 119.123 0.020 . 1 . . . . 128 ASN N . 17723 1 1490 . 1 1 128 128 ASN ND2 N 15 110.641 0.021 . 1 . . . . 128 ASN ND2 . 17723 1 1491 . 1 1 129 129 TRP H H 1 8.709 0.006 . 1 . . . . 129 TRP H . 17723 1 1492 . 1 1 129 129 TRP HA H 1 4.759 0.003 . 1 . . . . 129 TRP HA . 17723 1 1493 . 1 1 129 129 TRP HB2 H 1 3.083 0.000 . 2 . . . . 129 TRP QB . 17723 1 1494 . 1 1 129 129 TRP HB3 H 1 3.083 0.000 . 2 . . . . 129 TRP QB . 17723 1 1495 . 1 1 129 129 TRP HD1 H 1 6.670 0.005 . 1 . . . . 129 TRP HD1 . 17723 1 1496 . 1 1 129 129 TRP HE1 H 1 10.164 0.008 . 1 . . . . 129 TRP HE1 . 17723 1 1497 . 1 1 129 129 TRP HZ2 H 1 6.979 0.000 . 1 . . . . 129 TRP HZ2 . 17723 1 1498 . 1 1 129 129 TRP C C 13 179.077 0.022 . 1 . . . . 129 TRP C . 17723 1 1499 . 1 1 129 129 TRP CA C 13 59.905 0.028 . 1 . . . . 129 TRP CA . 17723 1 1500 . 1 1 129 129 TRP CB C 13 30.687 0.016 . 1 . . . . 129 TRP CB . 17723 1 1501 . 1 1 129 129 TRP CD1 C 13 127.756 0.025 . 1 . . . . 129 TRP CD1 . 17723 1 1502 . 1 1 129 129 TRP CZ2 C 13 114.693 0.044 . 1 . . . . 129 TRP CZ2 . 17723 1 1503 . 1 1 129 129 TRP N N 15 120.397 0.025 . 1 . . . . 129 TRP N . 17723 1 1504 . 1 1 129 129 TRP NE1 N 15 127.397 0.001 . 1 . . . . 129 TRP NE1 . 17723 1 1505 . 1 1 130 130 ASN H H 1 9.205 0.003 . 1 . . . . 130 ASN H . 17723 1 1506 . 1 1 130 130 ASN HA H 1 4.533 0.006 . 1 . . . . 130 ASN HA . 17723 1 1507 . 1 1 130 130 ASN HB2 H 1 3.088 0.004 . 2 . . . . 130 ASN HB2 . 17723 1 1508 . 1 1 130 130 ASN HB3 H 1 2.897 0.003 . 2 . . . . 130 ASN HB3 . 17723 1 1509 . 1 1 130 130 ASN HD21 H 1 7.697 0.001 . 2 . . . . 130 ASN HD21 . 17723 1 1510 . 1 1 130 130 ASN HD22 H 1 7.018 0.001 . 2 . . . . 130 ASN HD22 . 17723 1 1511 . 1 1 130 130 ASN C C 13 178.506 0.008 . 1 . . . . 130 ASN C . 17723 1 1512 . 1 1 130 130 ASN CA C 13 57.274 0.020 . 1 . . . . 130 ASN CA . 17723 1 1513 . 1 1 130 130 ASN CB C 13 38.826 0.036 . 1 . . . . 130 ASN CB . 17723 1 1514 . 1 1 130 130 ASN N N 15 119.917 0.043 . 1 . . . . 130 ASN N . 17723 1 1515 . 1 1 130 130 ASN ND2 N 15 114.169 0.074 . 1 . . . . 130 ASN ND2 . 17723 1 1516 . 1 1 131 131 THR H H 1 7.997 0.002 . 1 . . . . 131 THR H . 17723 1 1517 . 1 1 131 131 THR HA H 1 4.025 0.003 . 1 . . . . 131 THR HA . 17723 1 1518 . 1 1 131 131 THR HB H 1 4.407 0.005 . 1 . . . . 131 THR HB . 17723 1 1519 . 1 1 131 131 THR HG21 H 1 1.325 0.001 . 1 . . . . 131 THR QG2 . 17723 1 1520 . 1 1 131 131 THR HG22 H 1 1.325 0.001 . 1 . . . . 131 THR QG2 . 17723 1 1521 . 1 1 131 131 THR HG23 H 1 1.325 0.001 . 1 . . . . 131 THR QG2 . 17723 1 1522 . 1 1 131 131 THR C C 13 177.544 0.020 . 1 . . . . 131 THR C . 17723 1 1523 . 1 1 131 131 THR CA C 13 67.032 0.092 . 1 . . . . 131 THR CA . 17723 1 1524 . 1 1 131 131 THR CB C 13 68.736 0.124 . 1 . . . . 131 THR CB . 17723 1 1525 . 1 1 131 131 THR CG2 C 13 22.211 0.000 . 1 . . . . 131 THR CG2 . 17723 1 1526 . 1 1 131 131 THR N N 15 116.580 0.015 . 1 . . . . 131 THR N . 17723 1 1527 . 1 1 132 132 MET H H 1 7.757 0.007 . 1 . . . . 132 MET H . 17723 1 1528 . 1 1 132 132 MET HA H 1 4.316 0.008 . 1 . . . . 132 MET HA . 17723 1 1529 . 1 1 132 132 MET HB2 H 1 2.395 0.006 . 2 . . . . 132 MET QB . 17723 1 1530 . 1 1 132 132 MET HB3 H 1 2.395 0.006 . 2 . . . . 132 MET QB . 17723 1 1531 . 1 1 132 132 MET HG2 H 1 2.878 0.001 . 2 . . . . 132 MET HG2 . 17723 1 1532 . 1 1 132 132 MET HG3 H 1 2.623 0.005 . 2 . . . . 132 MET HG3 . 17723 1 1533 . 1 1 132 132 MET C C 13 178.442 0.054 . 1 . . . . 132 MET C . 17723 1 1534 . 1 1 132 132 MET CA C 13 60.044 0.027 . 1 . . . . 132 MET CA . 17723 1 1535 . 1 1 132 132 MET CB C 13 33.126 0.067 . 1 . . . . 132 MET CB . 17723 1 1536 . 1 1 132 132 MET N N 15 123.080 0.035 . 1 . . . . 132 MET N . 17723 1 1537 . 1 1 133 133 LEU H H 1 8.766 0.005 . 1 . . . . 133 LEU H . 17723 1 1538 . 1 1 133 133 LEU HA H 1 4.003 0.009 . 1 . . . . 133 LEU HA . 17723 1 1539 . 1 1 133 133 LEU HB2 H 1 1.367 0.002 . 2 . . . . 133 LEU HB2 . 17723 1 1540 . 1 1 133 133 LEU HB3 H 1 2.086 0.001 . 2 . . . . 133 LEU HB3 . 17723 1 1541 . 1 1 133 133 LEU HG H 1 0.745 0.008 . 1 . . . . 133 LEU HG . 17723 1 1542 . 1 1 133 133 LEU HD21 H 1 0.698 0.003 . 2 . . . . 133 LEU QD2 . 17723 1 1543 . 1 1 133 133 LEU HD22 H 1 0.698 0.003 . 2 . . . . 133 LEU QD2 . 17723 1 1544 . 1 1 133 133 LEU HD23 H 1 0.698 0.003 . 2 . . . . 133 LEU QD2 . 17723 1 1545 . 1 1 133 133 LEU C C 13 179.501 0.012 . 1 . . . . 133 LEU C . 17723 1 1546 . 1 1 133 133 LEU CA C 13 58.046 0.028 . 1 . . . . 133 LEU CA . 17723 1 1547 . 1 1 133 133 LEU CB C 13 41.064 0.025 . 1 . . . . 133 LEU CB . 17723 1 1548 . 1 1 133 133 LEU CG C 13 25.595 0.089 . 1 . . . . 133 LEU CG . 17723 1 1549 . 1 1 133 133 LEU CD2 C 13 22.529 0.080 . 2 . . . . 133 LEU CD2 . 17723 1 1550 . 1 1 133 133 LEU N N 15 119.024 0.032 . 1 . . . . 133 LEU N . 17723 1 1551 . 1 1 134 134 GLU H H 1 8.543 0.006 . 1 . . . . 134 GLU H . 17723 1 1552 . 1 1 134 134 GLU HA H 1 4.130 0.000 . 1 . . . . 134 GLU HA . 17723 1 1553 . 1 1 134 134 GLU HB2 H 1 2.145 0.000 . 2 . . . . 134 GLU QB . 17723 1 1554 . 1 1 134 134 GLU HB3 H 1 2.145 0.000 . 2 . . . . 134 GLU QB . 17723 1 1555 . 1 1 134 134 GLU HG2 H 1 2.370 0.000 . 2 . . . . 134 GLU QG . 17723 1 1556 . 1 1 134 134 GLU HG3 H 1 2.370 0.000 . 2 . . . . 134 GLU QG . 17723 1 1557 . 1 1 134 134 GLU C C 13 179.956 0.046 . 1 . . . . 134 GLU C . 17723 1 1558 . 1 1 134 134 GLU CA C 13 59.458 0.022 . 1 . . . . 134 GLU CA . 17723 1 1559 . 1 1 134 134 GLU CB C 13 29.365 0.018 . 1 . . . . 134 GLU CB . 17723 1 1560 . 1 1 134 134 GLU CG C 13 36.519 0.000 . 1 . . . . 134 GLU CG . 17723 1 1561 . 1 1 134 134 GLU N N 15 119.901 0.033 . 1 . . . . 134 GLU N . 17723 1 1562 . 1 1 135 135 GLY H H 1 7.978 0.002 . 1 . . . . 135 GLY H . 17723 1 1563 . 1 1 135 135 GLY HA2 H 1 4.200 0.002 . 2 . . . . 135 GLY HA2 . 17723 1 1564 . 1 1 135 135 GLY HA3 H 1 4.039 0.000 . 2 . . . . 135 GLY HA3 . 17723 1 1565 . 1 1 135 135 GLY C C 13 177.073 0.000 . 1 . . . . 135 GLY C . 17723 1 1566 . 1 1 135 135 GLY CA C 13 47.349 0.027 . 1 . . . . 135 GLY CA . 17723 1 1567 . 1 1 135 135 GLY N N 15 108.276 0.021 . 1 . . . . 135 GLY N . 17723 1 1568 . 1 1 136 136 LEU H H 1 8.305 0.003 . 1 . . . . 136 LEU H . 17723 1 1569 . 1 1 136 136 LEU HA H 1 3.347 0.004 . 1 . . . . 136 LEU HA . 17723 1 1570 . 1 1 136 136 LEU HB2 H 1 1.855 0.004 . 2 . . . . 136 LEU HB2 . 17723 1 1571 . 1 1 136 136 LEU HB3 H 1 0.807 0.008 . 2 . . . . 136 LEU HB3 . 17723 1 1572 . 1 1 136 136 LEU HG H 1 0.558 0.011 . 1 . . . . 136 LEU HG . 17723 1 1573 . 1 1 136 136 LEU HD11 H 1 0.317 0.004 . 1 . . . . 136 LEU QD1 . 17723 1 1574 . 1 1 136 136 LEU HD12 H 1 0.317 0.004 . 1 . . . . 136 LEU QD1 . 17723 1 1575 . 1 1 136 136 LEU HD13 H 1 0.317 0.004 . 1 . . . . 136 LEU QD1 . 17723 1 1576 . 1 1 136 136 LEU C C 13 177.493 0.008 . 1 . . . . 136 LEU C . 17723 1 1577 . 1 1 136 136 LEU CA C 13 58.441 0.046 . 1 . . . . 136 LEU CA . 17723 1 1578 . 1 1 136 136 LEU CB C 13 41.492 0.028 . 1 . . . . 136 LEU CB . 17723 1 1579 . 1 1 136 136 LEU CG C 13 25.576 0.014 . 1 . . . . 136 LEU CG . 17723 1 1580 . 1 1 136 136 LEU CD1 C 13 23.294 0.011 . 2 . . . . 136 LEU CD1 . 17723 1 1581 . 1 1 136 136 LEU N N 15 126.714 0.030 . 1 . . . . 136 LEU N . 17723 1 1582 . 1 1 137 137 LYS H H 1 8.401 0.002 . 1 . . . . 137 LYS H . 17723 1 1583 . 1 1 137 137 LYS HA H 1 3.644 0.001 . 1 . . . . 137 LYS HA . 17723 1 1584 . 1 1 137 137 LYS HB2 H 1 2.048 0.012 . 2 . . . . 137 LYS HB2 . 17723 1 1585 . 1 1 137 137 LYS HB3 H 1 1.635 0.009 . 2 . . . . 137 LYS HB3 . 17723 1 1586 . 1 1 137 137 LYS C C 13 177.718 0.000 . 1 . . . . 137 LYS C . 17723 1 1587 . 1 1 137 137 LYS CA C 13 60.289 0.029 . 1 . . . . 137 LYS CA . 17723 1 1588 . 1 1 137 137 LYS CB C 13 33.498 0.024 . 1 . . . . 137 LYS CB . 17723 1 1589 . 1 1 137 137 LYS CG C 13 24.473 0.000 . 1 . . . . 137 LYS CG . 17723 1 1590 . 1 1 137 137 LYS N N 15 119.497 0.036 . 1 . . . . 137 LYS N . 17723 1 1591 . 1 1 138 138 LYS H H 1 8.256 0.002 . 1 . . . . 138 LYS H . 17723 1 1592 . 1 1 138 138 LYS HA H 1 4.041 0.003 . 1 . . . . 138 LYS HA . 17723 1 1593 . 1 1 138 138 LYS HB2 H 1 1.943 0.000 . 2 . . . . 138 LYS QB . 17723 1 1594 . 1 1 138 138 LYS HB3 H 1 1.943 0.000 . 2 . . . . 138 LYS QB . 17723 1 1595 . 1 1 138 138 LYS HG2 H 1 1.640 0.000 . 2 . . . . 138 LYS QG . 17723 1 1596 . 1 1 138 138 LYS HG3 H 1 1.640 0.000 . 2 . . . . 138 LYS QG . 17723 1 1597 . 1 1 138 138 LYS HD2 H 1 1.764 0.000 . 2 . . . . 138 LYS QD . 17723 1 1598 . 1 1 138 138 LYS HD3 H 1 1.764 0.000 . 2 . . . . 138 LYS QD . 17723 1 1599 . 1 1 138 138 LYS HE2 H 1 3.032 0.000 . 2 . . . . 138 LYS QE . 17723 1 1600 . 1 1 138 138 LYS HE3 H 1 3.032 0.000 . 2 . . . . 138 LYS QE . 17723 1 1601 . 1 1 138 138 LYS C C 13 179.581 0.018 . 1 . . . . 138 LYS C . 17723 1 1602 . 1 1 138 138 LYS CA C 13 59.501 0.030 . 1 . . . . 138 LYS CA . 17723 1 1603 . 1 1 138 138 LYS CB C 13 32.755 0.045 . 1 . . . . 138 LYS CB . 17723 1 1604 . 1 1 138 138 LYS CG C 13 25.301 0.013 . 1 . . . . 138 LYS CG . 17723 1 1605 . 1 1 138 138 LYS CD C 13 29.366 0.033 . 1 . . . . 138 LYS CD . 17723 1 1606 . 1 1 138 138 LYS CE C 13 42.190 0.074 . 1 . . . . 138 LYS CE . 17723 1 1607 . 1 1 138 138 LYS N N 15 117.010 0.042 . 1 . . . . 138 LYS N . 17723 1 1608 . 1 1 139 139 PHE H H 1 8.086 0.003 . 1 . . . . 139 PHE H . 17723 1 1609 . 1 1 139 139 PHE HA H 1 4.223 0.002 . 1 . . . . 139 PHE HA . 17723 1 1610 . 1 1 139 139 PHE HB2 H 1 3.341 0.003 . 2 . . . . 139 PHE HB2 . 17723 1 1611 . 1 1 139 139 PHE HB3 H 1 3.077 0.001 . 2 . . . . 139 PHE HB3 . 17723 1 1612 . 1 1 139 139 PHE HD1 H 1 7.115 0.004 . 3 . . . . 139 PHE QD . 17723 1 1613 . 1 1 139 139 PHE HD2 H 1 7.115 0.004 . 3 . . . . 139 PHE QD . 17723 1 1614 . 1 1 139 139 PHE C C 13 178.339 0.069 . 1 . . . . 139 PHE C . 17723 1 1615 . 1 1 139 139 PHE CA C 13 61.492 0.012 . 1 . . . . 139 PHE CA . 17723 1 1616 . 1 1 139 139 PHE CB C 13 39.389 0.037 . 1 . . . . 139 PHE CB . 17723 1 1617 . 1 1 139 139 PHE CD1 C 13 131.425 0.066 . 3 . . . . 139 PHE CD1 . 17723 1 1618 . 1 1 139 139 PHE N N 15 118.693 0.039 . 1 . . . . 139 PHE N . 17723 1 1619 . 1 1 140 140 LEU H H 1 8.229 0.003 . 1 . . . . 140 LEU H . 17723 1 1620 . 1 1 140 140 LEU HA H 1 3.806 0.004 . 1 . . . . 140 LEU HA . 17723 1 1621 . 1 1 140 140 LEU HB2 H 1 1.754 0.007 . 2 . . . . 140 LEU HB2 . 17723 1 1622 . 1 1 140 140 LEU HB3 H 1 1.041 0.006 . 2 . . . . 140 LEU HB3 . 17723 1 1623 . 1 1 140 140 LEU HG H 1 0.779 0.000 . 1 . . . . 140 LEU HG . 17723 1 1624 . 1 1 140 140 LEU HD11 H 1 0.824 0.000 . 2 . . . . 140 LEU QD1 . 17723 1 1625 . 1 1 140 140 LEU HD12 H 1 0.824 0.000 . 2 . . . . 140 LEU QD1 . 17723 1 1626 . 1 1 140 140 LEU HD13 H 1 0.824 0.000 . 2 . . . . 140 LEU QD1 . 17723 1 1627 . 1 1 140 140 LEU C C 13 179.616 0.012 . 1 . . . . 140 LEU C . 17723 1 1628 . 1 1 140 140 LEU CA C 13 56.947 0.061 . 1 . . . . 140 LEU CA . 17723 1 1629 . 1 1 140 140 LEU CB C 13 42.925 0.034 . 1 . . . . 140 LEU CB . 17723 1 1630 . 1 1 140 140 LEU CG C 13 28.098 0.080 . 1 . . . . 140 LEU CG . 17723 1 1631 . 1 1 140 140 LEU CD1 C 13 23.200 0.014 . 2 . . . . 140 LEU CD1 . 17723 1 1632 . 1 1 140 140 LEU N N 15 117.523 0.045 . 1 . . . . 140 LEU N . 17723 1 1633 . 1 1 141 141 GLU H H 1 8.463 0.003 . 1 . . . . 141 GLU H . 17723 1 1634 . 1 1 141 141 GLU HA H 1 4.058 0.007 . 1 . . . . 141 GLU HA . 17723 1 1635 . 1 1 141 141 GLU HB2 H 1 2.017 0.003 . 2 . . . . 141 GLU QB . 17723 1 1636 . 1 1 141 141 GLU HB3 H 1 2.017 0.003 . 2 . . . . 141 GLU QB . 17723 1 1637 . 1 1 141 141 GLU HG2 H 1 2.661 0.003 . 2 . . . . 141 GLU HG2 . 17723 1 1638 . 1 1 141 141 GLU HG3 H 1 2.138 0.000 . 2 . . . . 141 GLU HG3 . 17723 1 1639 . 1 1 141 141 GLU C C 13 178.217 0.060 . 1 . . . . 141 GLU C . 17723 1 1640 . 1 1 141 141 GLU CA C 13 58.483 0.040 . 1 . . . . 141 GLU CA . 17723 1 1641 . 1 1 141 141 GLU CB C 13 29.153 0.036 . 1 . . . . 141 GLU CB . 17723 1 1642 . 1 1 141 141 GLU CG C 13 37.835 0.047 . 1 . . . . 141 GLU CG . 17723 1 1643 . 1 1 141 141 GLU N N 15 116.565 0.025 . 1 . . . . 141 GLU N . 17723 1 1644 . 1 1 142 142 ASN H H 1 7.694 0.005 . 1 . . . . 142 ASN H . 17723 1 1645 . 1 1 142 142 ASN HA H 1 4.627 0.005 . 1 . . . . 142 ASN HA . 17723 1 1646 . 1 1 142 142 ASN HB2 H 1 2.824 0.004 . 2 . . . . 142 ASN QB . 17723 1 1647 . 1 1 142 142 ASN HB3 H 1 2.824 0.004 . 2 . . . . 142 ASN QB . 17723 1 1648 . 1 1 142 142 ASN C C 13 176.157 0.016 . 1 . . . . 142 ASN C . 17723 1 1649 . 1 1 142 142 ASN CA C 13 54.536 0.031 . 1 . . . . 142 ASN CA . 17723 1 1650 . 1 1 142 142 ASN CB C 13 38.909 0.032 . 1 . . . . 142 ASN CB . 17723 1 1651 . 1 1 142 142 ASN N N 15 117.126 0.025 . 1 . . . . 142 ASN N . 17723 1 1652 . 1 1 143 143 LYS H H 1 7.804 0.001 . 1 . . . . 143 LYS H . 17723 1 1653 . 1 1 143 143 LYS HA H 1 4.154 0.002 . 1 . . . . 143 LYS HA . 17723 1 1654 . 1 1 143 143 LYS HB2 H 1 1.733 0.002 . 2 . . . . 143 LYS QB . 17723 1 1655 . 1 1 143 143 LYS HB3 H 1 1.733 0.002 . 2 . . . . 143 LYS QB . 17723 1 1656 . 1 1 143 143 LYS HG2 H 1 1.282 0.006 . 2 . . . . 143 LYS QG . 17723 1 1657 . 1 1 143 143 LYS HG3 H 1 1.282 0.006 . 2 . . . . 143 LYS QG . 17723 1 1658 . 1 1 143 143 LYS HD2 H 1 1.539 0.002 . 2 . . . . 143 LYS QD . 17723 1 1659 . 1 1 143 143 LYS HD3 H 1 1.539 0.002 . 2 . . . . 143 LYS QD . 17723 1 1660 . 1 1 143 143 LYS HE2 H 1 2.847 0.004 . 2 . . . . 143 LYS QE . 17723 1 1661 . 1 1 143 143 LYS HE3 H 1 2.847 0.004 . 2 . . . . 143 LYS QE . 17723 1 1662 . 1 1 143 143 LYS C C 13 177.668 0.019 . 1 . . . . 143 LYS C . 17723 1 1663 . 1 1 143 143 LYS CA C 13 57.009 0.022 . 1 . . . . 143 LYS CA . 17723 1 1664 . 1 1 143 143 LYS CB C 13 32.234 0.091 . 1 . . . . 143 LYS CB . 17723 1 1665 . 1 1 143 143 LYS CG C 13 24.373 0.066 . 1 . . . . 143 LYS CG . 17723 1 1666 . 1 1 143 143 LYS CD C 13 28.698 0.052 . 1 . . . . 143 LYS CD . 17723 1 1667 . 1 1 143 143 LYS CE C 13 42.243 0.033 . 1 . . . . 143 LYS CE . 17723 1 1668 . 1 1 143 143 LYS N N 15 120.331 0.025 . 1 . . . . 143 LYS N . 17723 1 1669 . 1 1 144 144 VAL H H 1 7.850 0.001 . 1 . . . . 144 VAL H . 17723 1 1670 . 1 1 144 144 VAL HA H 1 4.016 0.003 . 1 . . . . 144 VAL HA . 17723 1 1671 . 1 1 144 144 VAL HB H 1 2.109 0.004 . 1 . . . . 144 VAL HB . 17723 1 1672 . 1 1 144 144 VAL HG11 H 1 0.982 0.000 . 2 . . . . 144 VAL QG1 . 17723 1 1673 . 1 1 144 144 VAL HG12 H 1 0.982 0.000 . 2 . . . . 144 VAL QG1 . 17723 1 1674 . 1 1 144 144 VAL HG13 H 1 0.982 0.000 . 2 . . . . 144 VAL QG1 . 17723 1 1675 . 1 1 144 144 VAL HG21 H 1 0.929 0.004 . 2 . . . . 144 VAL QG2 . 17723 1 1676 . 1 1 144 144 VAL HG22 H 1 0.929 0.004 . 2 . . . . 144 VAL QG2 . 17723 1 1677 . 1 1 144 144 VAL HG23 H 1 0.929 0.004 . 2 . . . . 144 VAL QG2 . 17723 1 1678 . 1 1 144 144 VAL C C 13 177.202 0.029 . 1 . . . . 144 VAL C . 17723 1 1679 . 1 1 144 144 VAL CA C 13 63.345 0.068 . 1 . . . . 144 VAL CA . 17723 1 1680 . 1 1 144 144 VAL CB C 13 32.464 0.071 . 1 . . . . 144 VAL CB . 17723 1 1681 . 1 1 144 144 VAL CG2 C 13 21.256 0.000 . 2 . . . . 144 VAL CG2 . 17723 1 1682 . 1 1 144 144 VAL N N 15 119.324 0.039 . 1 . . . . 144 VAL N . 17723 1 1683 . 1 1 145 145 SER H H 1 8.211 0.002 . 1 . . . . 145 SER H . 17723 1 1684 . 1 1 145 145 SER HA H 1 4.403 0.001 . 1 . . . . 145 SER HA . 17723 1 1685 . 1 1 145 145 SER HB2 H 1 3.893 0.003 . 2 . . . . 145 SER QB . 17723 1 1686 . 1 1 145 145 SER HB3 H 1 3.893 0.003 . 2 . . . . 145 SER QB . 17723 1 1687 . 1 1 145 145 SER C C 13 175.185 0.021 . 1 . . . . 145 SER C . 17723 1 1688 . 1 1 145 145 SER CA C 13 59.016 0.038 . 1 . . . . 145 SER CA . 17723 1 1689 . 1 1 145 145 SER CB C 13 63.743 0.046 . 1 . . . . 145 SER CB . 17723 1 1690 . 1 1 145 145 SER N N 15 118.568 0.025 . 1 . . . . 145 SER N . 17723 1 1691 . 1 1 146 146 ALA H H 1 8.219 0.002 . 1 . . . . 146 ALA H . 17723 1 1692 . 1 1 146 146 ALA HA H 1 4.264 0.004 . 1 . . . . 146 ALA HA . 17723 1 1693 . 1 1 146 146 ALA HB1 H 1 1.394 0.003 . 1 . . . . 146 ALA QB . 17723 1 1694 . 1 1 146 146 ALA HB2 H 1 1.394 0.003 . 1 . . . . 146 ALA QB . 17723 1 1695 . 1 1 146 146 ALA HB3 H 1 1.394 0.003 . 1 . . . . 146 ALA QB . 17723 1 1696 . 1 1 146 146 ALA C C 13 178.369 0.024 . 1 . . . . 146 ALA C . 17723 1 1697 . 1 1 146 146 ALA CA C 13 53.120 0.058 . 1 . . . . 146 ALA CA . 17723 1 1698 . 1 1 146 146 ALA CB C 13 19.059 0.046 . 1 . . . . 146 ALA CB . 17723 1 1699 . 1 1 146 146 ALA N N 15 125.450 0.014 . 1 . . . . 146 ALA N . 17723 1 stop_ save_ ################################ # Residual dipolar couplings # ################################ save_NH_Phage _RDC_list.Sf_category RDCs _RDC_list.Sf_framecode NH_Phage _RDC_list.Entry_ID 17723 _RDC_list.ID 1 _RDC_list.Sample_condition_list_ID 1 _RDC_list.Sample_condition_list_label $sample_conditions_1 _RDC_list.Spectrometer_frequency_1H 600 _RDC_list.Bond_length_usage_flag . _RDC_list.Dipolar_constraint_calib_method . _RDC_list.Mol_align_tensor_axial_sym_mol . _RDC_list.Mol_align_tensor_rhombic_mol . _RDC_list.General_order_param_int_motions . _RDC_list.Assumed_H_N_bond_length . _RDC_list.Assumed_H_C_bond_length . _RDC_list.Assumed_C_N_bond_length . _RDC_list.Details . _RDC_list.Text_data_format . _RDC_list.Text_data . loop_ _RDC_experiment.Experiment_ID _RDC_experiment.Experiment_name _RDC_experiment.Sample_ID _RDC_experiment.Sample_label _RDC_experiment.Sample_state _RDC_experiment.Entry_ID _RDC_experiment.RDC_list_ID 13 'NH J-Modulation' . . . 17723 1 stop_ loop_ _RDC.ID _RDC.RDC_code _RDC.Assembly_atom_ID_1 _RDC.Entity_assembly_ID_1 _RDC.Entity_ID_1 _RDC.Comp_index_ID_1 _RDC.Seq_ID_1 _RDC.Comp_ID_1 _RDC.Atom_ID_1 _RDC.Atom_type_1 _RDC.Atom_isotope_number_1 _RDC.Ambiguity_code_1 _RDC.Assembly_atom_ID_2 _RDC.Entity_assembly_ID_2 _RDC.Entity_ID_2 _RDC.Comp_index_ID_2 _RDC.Seq_ID_2 _RDC.Comp_ID_2 _RDC.Atom_ID_2 _RDC.Atom_type_2 _RDC.Atom_isotope_number_2 _RDC.Ambiguity_code_2 _RDC.Val _RDC.Val_min _RDC.Val_max _RDC.Val_err _RDC.Val_bond_length _RDC.Resonance_ID_1 _RDC.Resonance_ID_2 _RDC.Auth_entity_assembly_ID_1 _RDC.Auth_seq_ID_1 _RDC.Auth_comp_ID_1 _RDC.Auth_atom_ID_1 _RDC.Auth_entity_assembly_ID_2 _RDC.Auth_seq_ID_2 _RDC.Auth_comp_ID_2 _RDC.Auth_atom_ID_2 _RDC.Entry_ID _RDC.RDC_list_ID 1 DNH . 1 1 5 5 LEU N N 15 . . 1 1 5 5 LEU H H 1 . -10.5334 . . 1.5 . . . 1 5 L N 1 5 L H 17723 1 2 DNH . 1 1 6 6 ILE N N 15 . . 1 1 6 6 ILE H H 1 . 4.5578 . . 1.5 . . . 1 6 I N 1 6 I H 17723 1 3 DNH . 1 1 7 7 ALA N N 15 . . 1 1 7 7 ALA H H 1 . -10.679 . . 1.5 . . . 1 7 A N 1 7 A H 17723 1 4 DNH . 1 1 8 8 GLN N N 15 . . 1 1 8 8 GLN H H 1 . -3.3186 . . 1.5 . . . 1 8 Q N 1 8 Q H 17723 1 5 DNH . 1 1 10 10 LYS N N 15 . . 1 1 10 10 LYS H H 1 . -5.66590000000001 . . 1.5 . . . 1 10 K N 1 10 K H 17723 1 6 DNH . 1 1 12 12 VAL N N 15 . . 1 1 12 12 VAL H H 1 . -4.3754 . . 1.5 . . . 1 12 V N 1 12 V H 17723 1 7 DNH . 1 1 13 13 ILE N N 15 . . 1 1 13 13 ILE H H 1 . 2.1729 . . 1.5 . . . 1 13 I N 1 13 I H 17723 1 8 DNH . 1 1 14 14 ASN N N 15 . . 1 1 14 14 ASN H H 1 . -4.6276 . . 1.5 . . . 1 14 N N 1 14 N H 17723 1 9 DNH . 1 1 17 17 ILE N N 15 . . 1 1 17 17 ILE H H 1 . -12.968 . . 1.5 . . . 1 17 I N 1 17 I H 17723 1 10 DNH . 1 1 18 18 GLU N N 15 . . 1 1 18 18 GLU H H 1 . -18.22 . . 1.5 . . . 1 18 E N 1 18 E H 17723 1 11 DNH . 1 1 20 20 VAL N N 15 . . 1 1 20 20 VAL H H 1 . -15.6028 . . 1.5 . . . 1 20 V N 1 20 V H 17723 1 12 DNH . 1 1 21 21 TRP N N 15 . . 1 1 21 21 TRP H H 1 . -18.9441 . . 1.5 . . . 1 21 W N 1 21 W H 17723 1 13 DNH . 1 1 22 22 GLU N N 15 . . 1 1 22 22 GLU H H 1 . -20.9008 . . 1.5 . . . 1 22 E N 1 22 E H 17723 1 14 DNH . 1 1 23 23 ALA N N 15 . . 1 1 23 23 ALA H H 1 . -17.9732 . . 1.5 . . . 1 23 A N 1 23 A H 17723 1 15 DNH . 1 1 24 24 LEU N N 15 . . 1 1 24 24 LEU H H 1 . -14.2926 . . 1.5 . . . 1 24 L N 1 24 L H 17723 1 16 DNH . 1 1 25 25 VAL N N 15 . . 1 1 25 25 VAL H H 1 . -16.0537 . . 1.5 . . . 1 25 V N 1 25 V H 17723 1 17 DNH . 1 1 29 29 ILE N N 15 . . 1 1 29 29 ILE H H 1 . 2.5526 . . 1.5 . . . 1 29 I N 1 29 I H 17723 1 18 DNH . 1 1 37 37 THR N N 15 . . 1 1 37 37 THR H H 1 . -13.7724 . . 1.5 . . . 1 37 T N 1 37 T H 17723 1 19 DNH . 1 1 38 38 THR N N 15 . . 1 1 38 38 THR H H 1 . -11.3447 . . 1.5 . . . 1 38 T N 1 38 T H 17723 1 20 DNH . 1 1 40 40 VAL N N 15 . . 1 1 40 40 VAL H H 1 . 10.0095 . . 1.5 . . . 1 40 V N 1 40 V H 17723 1 21 DNH . 1 1 41 41 SER N N 15 . . 1 1 41 41 SER H H 1 . 15.3477 . . 1.5 . . . 1 41 S N 1 41 S H 17723 1 22 DNH . 1 1 43 43 TRP N N 15 . . 1 1 43 43 TRP H H 1 . -12.758 . . 1.5 . . . 1 43 W N 1 43 W H 17723 1 23 DNH . 1 1 44 44 LYS N N 15 . . 1 1 44 44 LYS H H 1 . -13.6726 . . 1.5 . . . 1 44 K N 1 44 K H 17723 1 24 DNH . 1 1 45 45 GLU N N 15 . . 1 1 45 45 GLU H H 1 . -12.4965 . . 1.5 . . . 1 45 E N 1 45 E H 17723 1 25 DNH . 1 1 47 47 SER N N 15 . . 1 1 47 47 SER H H 1 . -20.678 . . 1.5 . . . 1 47 S N 1 47 S H 17723 1 26 DNH . 1 1 49 49 ILE N N 15 . . 1 1 49 49 ILE H H 1 . 14.5135 . . 1.5 . . . 1 49 I N 1 49 I H 17723 1 27 DNH . 1 1 50 50 VAL N N 15 . . 1 1 50 50 VAL H H 1 . 9.79170000000001 . . 1.5 . . . 1 50 V N 1 50 V H 17723 1 28 DNH . 1 1 51 51 TRP N N 15 . . 1 1 51 51 TRP H H 1 . 4.2149 . . 1.5 . . . 1 51 W N 1 51 W H 17723 1 29 DNH . 1 1 52 52 LYS N N 15 . . 1 1 52 52 LYS H H 1 . -3.4432 . . 1.5 . . . 1 52 K N 1 52 K H 17723 1 30 DNH . 1 1 54 54 GLU N N 15 . . 1 1 54 54 GLU H H 1 . -16.9453 . . 1.5 . . . 1 54 E N 1 54 E H 17723 1 31 DNH . 1 1 55 55 TRP N N 15 . . 1 1 55 55 TRP H H 1 . -15.2455 . . 1.5 . . . 1 55 W N 1 55 W H 17723 1 32 DNH . 1 1 56 56 LYS N N 15 . . 1 1 56 56 LYS H H 1 . -16.9028 . . 1.5 . . . 1 56 K N 1 56 K H 17723 1 33 DNH . 1 1 57 57 GLY N N 15 . . 1 1 57 57 GLY H H 1 . -15.8691 . . 1.5 . . . 1 57 G N 1 57 G H 17723 1 34 DNH . 1 1 58 58 LYS N N 15 . . 1 1 58 58 LYS H H 1 . 0.356300000000005 . . 1.5 . . . 1 58 K N 1 58 K H 17723 1 35 DNH . 1 1 59 59 ALA N N 15 . . 1 1 59 59 ALA H H 1 . -6.2624 . . 1.5 . . . 1 59 A N 1 59 A H 17723 1 36 DNH . 1 1 60 60 TYR N N 15 . . 1 1 60 60 TYR H H 1 . -4.7834 . . 1.5 . . . 1 60 Y N 1 60 Y H 17723 1 37 DNH . 1 1 61 61 GLU N N 15 . . 1 1 61 61 GLU H H 1 . -0.512600000000006 . . 1.5 . . . 1 61 E N 1 61 E H 17723 1 38 DNH . 1 1 62 62 ASP N N 15 . . 1 1 62 62 ASP H H 1 . 11.5205 . . 1.5 . . . 1 62 D N 1 62 D H 17723 1 39 DNH . 1 1 64 64 GLY N N 15 . . 1 1 64 64 GLY H H 1 . 18.8093 . . 1.5 . . . 1 64 G N 1 64 G H 17723 1 40 DNH . 1 1 65 65 THR N N 15 . . 1 1 65 65 THR H H 1 . 9.17930000000001 . . 1.5 . . . 1 65 T N 1 65 T H 17723 1 41 DNH . 1 1 66 66 ILE N N 15 . . 1 1 66 66 ILE H H 1 . 1.0414 . . 1.5 . . . 1 66 I N 1 66 I H 17723 1 42 DNH . 1 1 71 71 GLU N N 15 . . 1 1 71 71 GLU H H 1 . -11.8804 . . 1.5 . . . 1 71 E N 1 71 E H 17723 1 43 DNH . 1 1 75 75 LEU N N 15 . . 1 1 75 75 LEU H H 1 . -5.28930000000001 . . 1.5 . . . 1 75 L N 1 75 L H 17723 1 44 DNH . 1 1 76 76 GLN N N 15 . . 1 1 76 76 GLN H H 1 . -4.57990000000001 . . 1.5 . . . 1 76 Q N 1 76 Q H 17723 1 45 DNH . 1 1 77 77 TYR N N 15 . . 1 1 77 77 TYR H H 1 . -5.2633 . . 1.5 . . . 1 77 Y N 1 77 Y H 17723 1 46 DNH . 1 1 78 78 SER N N 15 . . 1 1 78 78 SER H H 1 . 0.24560000000001 . . 1.5 . . . 1 78 S N 1 78 S H 17723 1 47 DNH . 1 1 79 79 HIS N N 15 . . 1 1 79 79 HIS H H 1 . 21.8214 . . 1.5 . . . 1 79 H N 1 79 H H 17723 1 48 DNH . 1 1 80 80 PHE N N 15 . . 1 1 80 80 PHE H H 1 . 19.1012 . . 1.5 . . . 1 80 F N 1 80 F H 17723 1 49 DNH . 1 1 81 81 SER N N 15 . . 1 1 81 81 SER H H 1 . 21.7036 . . 1.5 . . . 1 81 S N 1 81 S H 17723 1 50 DNH . 1 1 94 94 HIS N N 15 . . 1 1 94 94 HIS H H 1 . 23.9145 . . 1.5 . . . 1 94 H N 1 94 H H 17723 1 51 DNH . 1 1 95 95 VAL N N 15 . . 1 1 95 95 VAL H H 1 . 18.1806 . . 1.5 . . . 1 95 V N 1 95 V H 17723 1 52 DNH . 1 1 96 96 VAL N N 15 . . 1 1 96 96 VAL H H 1 . -2.6178 . . 1.5 . . . 1 96 V N 1 96 V H 17723 1 53 DNH . 1 1 98 98 ILE N N 15 . . 1 1 98 98 ILE H H 1 . -7.50450000000001 . . 1.5 . . . 1 98 I N 1 98 I H 17723 1 54 DNH . 1 1 99 99 THR N N 15 . . 1 1 99 99 THR H H 1 . -4.19330000000001 . . 1.5 . . . 1 99 T N 1 99 T H 17723 1 55 DNH . 1 1 100 100 LEU N N 15 . . 1 1 100 100 LEU H H 1 . -7.1878 . . 1.5 . . . 1 100 L N 1 100 L H 17723 1 56 DNH . 1 1 105 105 LYS N N 15 . . 1 1 105 105 LYS H H 1 . 16.294 . . 1.5 . . . 1 105 K N 1 105 K H 17723 1 57 DNH . 1 1 108 108 GLU N N 15 . . 1 1 108 108 GLU H H 1 . -4.0153 . . 1.5 . . . 1 108 E N 1 108 E H 17723 1 58 DNH . 1 1 109 109 VAL N N 15 . . 1 1 109 109 VAL H H 1 . -7.2278 . . 1.5 . . . 1 109 V N 1 109 V H 17723 1 59 DNH . 1 1 112 112 THR N N 15 . . 1 1 112 112 THR H H 1 . -2.8661 . . 1.5 . . . 1 112 T N 1 112 T H 17723 1 60 DNH . 1 1 113 113 GLN N N 15 . . 1 1 113 113 GLN H H 1 . -2.652 . . 1.5 . . . 1 113 Q N 1 113 Q H 17723 1 61 DNH . 1 1 114 114 ASP N N 15 . . 1 1 114 114 ASP H H 1 . 1.905 . . 1.5 . . . 1 114 D N 1 114 D H 17723 1 62 DNH . 1 1 115 115 ASN N N 15 . . 1 1 115 115 ASN H H 1 . 12.4441 . . 1.5 . . . 1 115 N N 1 115 N H 17723 1 63 DNH . 1 1 118 118 THR N N 15 . . 1 1 118 118 THR H H 1 . 22.8971 . . 1.5 . . . 1 118 T N 1 118 T H 17723 1 64 DNH . 1 1 119 119 GLU N N 15 . . 1 1 119 119 GLU H H 1 . 16.5119 . . 1.5 . . . 1 119 E N 1 119 E H 17723 1 65 DNH . 1 1 120 120 LYS N N 15 . . 1 1 120 120 LYS H H 1 . 5.1777 . . 1.5 . . . 1 120 K N 1 120 K H 17723 1 66 DNH . 1 1 121 121 GLU N N 15 . . 1 1 121 121 GLU H H 1 . 18.0907 . . 1.5 . . . 1 121 E N 1 121 E H 17723 1 67 DNH . 1 1 122 122 GLN N N 15 . . 1 1 122 122 GLN H H 1 . 20.9075 . . 1.5 . . . 1 122 Q N 1 122 Q H 17723 1 68 DNH . 1 1 124 124 HIS N N 15 . . 1 1 124 124 HIS H H 1 . 7.9871 . . 1.5 . . . 1 124 H N 1 124 H H 17723 1 69 DNH . 1 1 125 125 SER N N 15 . . 1 1 125 125 SER H H 1 . 23.4081 . . 1.5 . . . 1 125 S N 1 125 S H 17723 1 70 DNH . 1 1 126 126 GLU N N 15 . . 1 1 126 126 GLU H H 1 . 17.1609 . . 1.5 . . . 1 126 E N 1 126 E H 17723 1 71 DNH . 1 1 128 128 ASN N N 15 . . 1 1 128 128 ASN H H 1 . 13.4698 . . 1.5 . . . 1 128 N N 1 128 N H 17723 1 72 DNH . 1 1 129 129 TRP N N 15 . . 1 1 129 129 TRP H H 1 . 22.5885 . . 1.5 . . . 1 129 W N 1 129 W H 17723 1 73 DNH . 1 1 130 130 ASN N N 15 . . 1 1 130 130 ASN H H 1 . 6.1108 . . 1.5 . . . 1 130 N N 1 130 N H 17723 1 74 DNH . 1 1 132 132 MET N N 15 . . 1 1 132 132 MET H H 1 . 16.2908 . . 1.5 . . . 1 132 M N 1 132 M H 17723 1 75 DNH . 1 1 133 133 LEU N N 15 . . 1 1 133 133 LEU H H 1 . 15.2569 . . 1.5 . . . 1 133 L N 1 133 L H 17723 1 76 DNH . 1 1 134 134 GLU N N 15 . . 1 1 134 134 GLU H H 1 . -2.6705 . . 1.5 . . . 1 134 E N 1 134 E H 17723 1 77 DNH . 1 1 136 136 LEU N N 15 . . 1 1 136 136 LEU H H 1 . 16.461 . . 1.5 . . . 1 136 L N 1 136 L H 17723 1 78 DNH . 1 1 137 137 LYS N N 15 . . 1 1 137 137 LYS H H 1 . 9.7872 . . 1.5 . . . 1 137 K N 1 137 K H 17723 1 79 DNH . 1 1 139 139 PHE N N 15 . . 1 1 139 139 PHE H H 1 . 8.6268 . . 1.5 . . . 1 139 F N 1 139 F H 17723 1 80 DNH . 1 1 142 142 ASN N N 15 . . 1 1 142 142 ASN H H 1 . -12.19 . . 1.5 . . . 1 142 N N 1 142 N H 17723 1 81 DNH . 1 1 143 143 LYS N N 15 . . 1 1 143 143 LYS H H 1 . 6.91290000000001 . . 1.5 . . . 1 143 K N 1 143 K H 17723 1 82 DNH . 1 1 144 144 VAL N N 15 . . 1 1 144 144 VAL H H 1 . 5.35 . . 1.5 . . . 1 144 V N 1 144 V H 17723 1 stop_ save_ save_NC_Phage _RDC_list.Sf_category RDCs _RDC_list.Sf_framecode NC_Phage _RDC_list.Entry_ID 17723 _RDC_list.ID 2 _RDC_list.Sample_condition_list_ID 1 _RDC_list.Sample_condition_list_label $sample_conditions_1 _RDC_list.Spectrometer_frequency_1H 600 _RDC_list.Bond_length_usage_flag . _RDC_list.Dipolar_constraint_calib_method . _RDC_list.Mol_align_tensor_axial_sym_mol . _RDC_list.Mol_align_tensor_rhombic_mol . _RDC_list.General_order_param_int_motions . _RDC_list.Assumed_H_N_bond_length . _RDC_list.Assumed_H_C_bond_length . _RDC_list.Assumed_C_N_bond_length . _RDC_list.Details . _RDC_list.Text_data_format . _RDC_list.Text_data . loop_ _RDC_experiment.Experiment_ID _RDC_experiment.Experiment_name _RDC_experiment.Sample_ID _RDC_experiment.Sample_label _RDC_experiment.Sample_state _RDC_experiment.Entry_ID _RDC_experiment.RDC_list_ID 16 'NC J-Modulation' . . . 17723 2 stop_ loop_ _RDC.ID _RDC.RDC_code _RDC.Assembly_atom_ID_1 _RDC.Entity_assembly_ID_1 _RDC.Entity_ID_1 _RDC.Comp_index_ID_1 _RDC.Seq_ID_1 _RDC.Comp_ID_1 _RDC.Atom_ID_1 _RDC.Atom_type_1 _RDC.Atom_isotope_number_1 _RDC.Ambiguity_code_1 _RDC.Assembly_atom_ID_2 _RDC.Entity_assembly_ID_2 _RDC.Entity_ID_2 _RDC.Comp_index_ID_2 _RDC.Seq_ID_2 _RDC.Comp_ID_2 _RDC.Atom_ID_2 _RDC.Atom_type_2 _RDC.Atom_isotope_number_2 _RDC.Ambiguity_code_2 _RDC.Val _RDC.Val_min _RDC.Val_max _RDC.Val_err _RDC.Val_bond_length _RDC.Resonance_ID_1 _RDC.Resonance_ID_2 _RDC.Auth_entity_assembly_ID_1 _RDC.Auth_seq_ID_1 _RDC.Auth_comp_ID_1 _RDC.Auth_atom_ID_1 _RDC.Auth_entity_assembly_ID_2 _RDC.Auth_seq_ID_2 _RDC.Auth_comp_ID_2 _RDC.Auth_atom_ID_2 _RDC.Entry_ID _RDC.RDC_list_ID 1 DNC(i-1) . 1 1 7 7 ALA N N 15 . . 1 1 6 6 ILE C C 13 . 2.5565 . . 1.5 . . . 1 7 A N 1 6 I C 17723 2 2 DNC(i-1) . 1 1 11 11 THR N N 15 . . 1 1 10 10 LYS C C 13 . 1.2436 . . 1.5 . . . 1 11 T N 1 10 K C 17723 2 3 DNC(i-1) . 1 1 13 13 ILE N N 15 . . 1 1 12 12 VAL C C 13 . 0.4709 . . 1.5 . . . 1 13 I N 1 12 V C 17723 2 4 DNC(i-1) . 1 1 14 14 ASN N N 15 . . 1 1 13 13 ILE C C 13 . 0.7598 . . 1.5 . . . 1 14 N N 1 13 I C 17723 2 5 DNC(i-1) . 1 1 15 15 ALA N N 15 . . 1 1 14 14 ASN C C 13 . -0.945200000000002 . . 1.5 . . . 1 15 A N 1 14 N C 17723 2 6 DNC(i-1) . 1 1 18 18 GLU N N 15 . . 1 1 17 17 ILE C C 13 . 1.4223 . . 1.5 . . . 1 18 E N 1 17 I C 17723 2 7 DNC(i-1) . 1 1 20 20 VAL N N 15 . . 1 1 19 19 LYS C C 13 . 2.3381 . . 1.5 . . . 1 20 V N 1 19 K C 17723 2 8 DNC(i-1) . 1 1 21 21 TRP N N 15 . . 1 1 20 20 VAL C C 13 . -0.5763 . . 1.5 . . . 1 21 W N 1 20 V C 17723 2 9 DNC(i-1) . 1 1 22 22 GLU N N 15 . . 1 1 21 21 TRP C C 13 . 2.3476 . . 1.5 . . . 1 22 E N 1 21 W C 17723 2 10 DNC(i-1) . 1 1 24 24 LEU N N 15 . . 1 1 23 23 ALA C C 13 . 2.1025 . . 1.5 . . . 1 24 L N 1 23 A C 17723 2 11 DNC(i-1) . 1 1 30 30 ILE N N 15 . . 1 1 29 29 ILE C C 13 . 0.1289 . . 1.5 . . . 1 30 I N 1 29 I C 17723 2 12 DNC(i-1) . 1 1 31 31 LYS N N 15 . . 1 1 30 30 ILE C C 13 . 1.6919 . . 1.5 . . . 1 31 K N 1 30 I C 17723 2 13 DNC(i-1) . 1 1 32 32 GLU N N 15 . . 1 1 31 31 LYS C C 13 . -2.5433 . . 1.5 . . . 1 32 E N 1 31 K C 17723 2 14 DNC(i-1) . 1 1 34 34 MET N N 15 . . 1 1 33 33 TYR C C 13 . -2.0216 . . 1.5 . . . 1 34 M N 1 33 Y C 17723 2 15 DNC(i-1) . 1 1 37 37 THR N N 15 . . 1 1 36 36 GLY C C 13 . 1.2853 . . 1.5 . . . 1 37 T N 1 36 G C 17723 2 16 DNC(i-1) . 1 1 38 38 THR N N 15 . . 1 1 37 37 THR C C 13 . -1.9184 . . 1.5 . . . 1 38 T N 1 37 T C 17723 2 17 DNC(i-1) . 1 1 39 39 VAL N N 15 . . 1 1 38 38 THR C C 13 . -1.3057 . . 1.5 . . . 1 39 V N 1 38 T C 17723 2 18 DNC(i-1) . 1 1 41 41 SER N N 15 . . 1 1 40 40 VAL C C 13 . -1.0956 . . 1.5 . . . 1 41 S N 1 40 V C 17723 2 19 DNC(i-1) . 1 1 43 43 TRP N N 15 . . 1 1 42 42 ASP C C 13 . 1.1701 . . 1.5 . . . 1 43 W N 1 42 D C 17723 2 20 DNC(i-1) . 1 1 45 45 GLU N N 15 . . 1 1 44 44 LYS C C 13 . 1.3173 . . 1.5 . . . 1 45 E N 1 44 K C 17723 2 21 DNC(i-1) . 1 1 48 48 GLN N N 15 . . 1 1 47 47 SER C C 13 . -0.827900000000001 . . 1.5 . . . 1 48 Q N 1 47 S C 17723 2 22 DNC(i-1) . 1 1 50 50 VAL N N 15 . . 1 1 49 49 ILE C C 13 . 2.696 . . 1.5 . . . 1 50 V N 1 49 I C 17723 2 23 DNC(i-1) . 1 1 51 51 TRP N N 15 . . 1 1 50 50 VAL C C 13 . -0.619400000000001 . . 1.5 . . . 1 51 W N 1 50 V C 17723 2 24 DNC(i-1) . 1 1 52 52 LYS N N 15 . . 1 1 51 51 TRP C C 13 . 3.067 . . 1.5 . . . 1 52 K N 1 51 W C 17723 2 25 DNC(i-1) . 1 1 54 54 GLU N N 15 . . 1 1 53 53 GLY C C 13 . -0.894000000000002 . . 1.5 . . . 1 54 E N 1 53 G C 17723 2 26 DNC(i-1) . 1 1 56 56 LYS N N 15 . . 1 1 55 55 TRP C C 13 . -0.4848 . . 1.5 . . . 1 56 K N 1 55 W C 17723 2 27 DNC(i-1) . 1 1 57 57 GLY N N 15 . . 1 1 56 56 LYS C C 13 . 0.9651 . . 1.5 . . . 1 57 G N 1 56 K C 17723 2 28 DNC(i-1) . 1 1 61 61 GLU N N 15 . . 1 1 60 60 TYR C C 13 . 1.4291 . . 1.5 . . . 1 61 E N 1 60 Y C 17723 2 29 DNC(i-1) . 1 1 63 63 LYS N N 15 . . 1 1 62 62 ASP C C 13 . 2.0277 . . 1.5 . . . 1 63 K N 1 62 D C 17723 2 30 DNC(i-1) . 1 1 64 64 GLY N N 15 . . 1 1 63 63 LYS C C 13 . -1.0602 . . 1.5 . . . 1 64 G N 1 63 K C 17723 2 31 DNC(i-1) . 1 1 65 65 THR N N 15 . . 1 1 64 64 GLY C C 13 . 0.2193 . . 1.5 . . . 1 65 T N 1 64 G C 17723 2 32 DNC(i-1) . 1 1 66 66 ILE N N 15 . . 1 1 65 65 THR C C 13 . 0.271000000000001 . . 1.5 . . . 1 66 I N 1 65 T C 17723 2 33 DNC(i-1) . 1 1 67 67 LEU N N 15 . . 1 1 66 66 ILE C C 13 . 0.3454 . . 1.5 . . . 1 67 L N 1 66 I C 17723 2 34 DNC(i-1) . 1 1 69 69 PHE N N 15 . . 1 1 68 68 GLN C C 13 . -0.1066 . . 1.5 . . . 1 69 F N 1 68 Q C 17723 2 35 DNC(i-1) . 1 1 70 70 ASN N N 15 . . 1 1 69 69 PHE C C 13 . -1.7129 . . 1.5 . . . 1 70 N N 1 69 F C 17723 2 36 DNC(i-1) . 1 1 71 71 GLU N N 15 . . 1 1 70 70 ASN C C 13 . 1.5544 . . 1.5 . . . 1 71 E N 1 70 N C 17723 2 37 DNC(i-1) . 1 1 74 74 ILE N N 15 . . 1 1 73 73 SER C C 13 . -2.4684 . . 1.5 . . . 1 74 I N 1 73 S C 17723 2 38 DNC(i-1) . 1 1 75 75 LEU N N 15 . . 1 1 74 74 ILE C C 13 . -0.957800000000001 . . 1.5 . . . 1 75 L N 1 74 I C 17723 2 39 DNC(i-1) . 1 1 76 76 GLN N N 15 . . 1 1 75 75 LEU C C 13 . -1.4925 . . 1.5 . . . 1 76 Q N 1 75 L C 17723 2 40 DNC(i-1) . 1 1 77 77 TYR N N 15 . . 1 1 76 76 GLN C C 13 . -1.0799 . . 1.5 . . . 1 77 Y N 1 76 Q C 17723 2 41 DNC(i-1) . 1 1 78 78 SER N N 15 . . 1 1 77 77 TYR C C 13 . -2.4597 . . 1.5 . . . 1 78 S N 1 77 Y C 17723 2 42 DNC(i-1) . 1 1 79 79 HIS N N 15 . . 1 1 78 78 SER C C 13 . -0.5929 . . 1.5 . . . 1 79 H N 1 78 S C 17723 2 43 DNC(i-1) . 1 1 94 94 HIS N N 15 . . 1 1 93 93 TYR C C 13 . -0.3222 . . 1.5 . . . 1 94 H N 1 93 Y C 17723 2 44 DNC(i-1) . 1 1 95 95 VAL N N 15 . . 1 1 94 94 HIS C C 13 . -0.574400000000001 . . 1.5 . . . 1 95 V N 1 94 H C 17723 2 45 DNC(i-1) . 1 1 96 96 VAL N N 15 . . 1 1 95 95 VAL C C 13 . 2.5259 . . 1.5 . . . 1 96 V N 1 95 V C 17723 2 46 DNC(i-1) . 1 1 98 98 ILE N N 15 . . 1 1 97 97 THR C C 13 . 1.5283 . . 1.5 . . . 1 98 I N 1 97 T C 17723 2 47 DNC(i-1) . 1 1 101 101 THR N N 15 . . 1 1 100 100 LEU C C 13 . -2.0824 . . 1.5 . . . 1 101 T N 1 100 L C 17723 2 48 DNC(i-1) . 1 1 102 102 ALA N N 15 . . 1 1 101 101 THR C C 13 . -0.6746 . . 1.5 . . . 1 102 A N 1 101 T C 17723 2 49 DNC(i-1) . 1 1 105 105 LYS N N 15 . . 1 1 104 104 LYS C C 13 . -0.633300000000002 . . 1.5 . . . 1 105 K N 1 104 K C 17723 2 50 DNC(i-1) . 1 1 107 107 VAL N N 15 . . 1 1 106 106 GLY C C 13 . -2.4914 . . 1.5 . . . 1 107 V N 1 106 G C 17723 2 51 DNC(i-1) . 1 1 109 109 VAL N N 15 . . 1 1 108 108 GLU C C 13 . -1.3194 . . 1.5 . . . 1 109 V N 1 108 E C 17723 2 52 DNC(i-1) . 1 1 111 111 LEU N N 15 . . 1 1 110 110 GLU C C 13 . -1.1562 . . 1.5 . . . 1 111 L N 1 110 E C 17723 2 53 DNC(i-1) . 1 1 113 113 GLN N N 15 . . 1 1 112 112 THR C C 13 . -0.1861 . . 1.5 . . . 1 113 Q N 1 112 T C 17723 2 54 DNC(i-1) . 1 1 118 118 THR N N 15 . . 1 1 117 117 GLU C C 13 . 0.2882 . . 1.5 . . . 1 118 T N 1 117 E C 17723 2 55 DNC(i-1) . 1 1 119 119 GLU N N 15 . . 1 1 118 118 THR C C 13 . -0.8795 . . 1.5 . . . 1 119 E N 1 118 T C 17723 2 56 DNC(i-1) . 1 1 120 120 LYS N N 15 . . 1 1 119 119 GLU C C 13 . -1.4054 . . 1.5 . . . 1 120 K N 1 119 E C 17723 2 57 DNC(i-1) . 1 1 123 123 LYS N N 15 . . 1 1 122 122 GLN C C 13 . -0.787000000000001 . . 1.5 . . . 1 123 K N 1 122 Q C 17723 2 58 DNC(i-1) . 1 1 124 124 HIS N N 15 . . 1 1 123 123 LYS C C 13 . -2.2257 . . 1.5 . . . 1 124 H N 1 123 K C 17723 2 59 DNC(i-1) . 1 1 125 125 SER N N 15 . . 1 1 124 124 HIS C C 13 . 0.318000000000001 . . 1.5 . . . 1 125 S N 1 124 H C 17723 2 60 DNC(i-1) . 1 1 127 127 ASP N N 15 . . 1 1 126 126 GLU C C 13 . -1.0303 . . 1.5 . . . 1 127 D N 1 126 E C 17723 2 61 DNC(i-1) . 1 1 128 128 ASN N N 15 . . 1 1 127 127 ASP C C 13 . -1.918 . . 1.5 . . . 1 128 N N 1 127 D C 17723 2 62 DNC(i-1) . 1 1 129 129 TRP N N 15 . . 1 1 128 128 ASN C C 13 . 1.3376 . . 1.5 . . . 1 129 W N 1 128 N C 17723 2 63 DNC(i-1) . 1 1 130 130 ASN N N 15 . . 1 1 129 129 TRP C C 13 . -0.5068 . . 1.5 . . . 1 130 N N 1 129 W C 17723 2 64 DNC(i-1) . 1 1 131 131 THR N N 15 . . 1 1 130 130 ASN C C 13 . -1.4828 . . 1.5 . . . 1 131 T N 1 130 N C 17723 2 65 DNC(i-1) . 1 1 132 132 MET N N 15 . . 1 1 131 131 THR C C 13 . -0.9255 . . 1.5 . . . 1 132 M N 1 131 T C 17723 2 66 DNC(i-1) . 1 1 133 133 LEU N N 15 . . 1 1 132 132 MET C C 13 . 1.9733 . . 1.5 . . . 1 133 L N 1 132 M C 17723 2 67 DNC(i-1) . 1 1 135 135 GLY N N 15 . . 1 1 134 134 GLU C C 13 . -2.2607 . . 1.5 . . . 1 135 G N 1 134 E C 17723 2 68 DNC(i-1) . 1 1 136 136 LEU N N 15 . . 1 1 135 135 GLY C C 13 . 1.1638 . . 1.5 . . . 1 136 L N 1 135 G C 17723 2 69 DNC(i-1) . 1 1 138 138 LYS N N 15 . . 1 1 137 137 LYS C C 13 . -0.7887 . . 1.5 . . . 1 138 K N 1 137 K C 17723 2 70 DNC(i-1) . 1 1 139 139 PHE N N 15 . . 1 1 138 138 LYS C C 13 . -2.0928 . . 1.5 . . . 1 139 F N 1 138 K C 17723 2 71 DNC(i-1) . 1 1 140 140 LEU N N 15 . . 1 1 139 139 PHE C C 13 . 1.89 . . 1.5 . . . 1 140 L N 1 139 F C 17723 2 72 DNC(i-1) . 1 1 143 143 LYS N N 15 . . 1 1 142 142 ASN C C 13 . -0.790900000000001 . . 1.5 . . . 1 143 K N 1 142 N C 17723 2 stop_ save_ save_NH_Peg _RDC_list.Sf_category RDCs _RDC_list.Sf_framecode NH_Peg _RDC_list.Entry_ID 17723 _RDC_list.ID 3 _RDC_list.Sample_condition_list_ID 1 _RDC_list.Sample_condition_list_label $sample_conditions_1 _RDC_list.Spectrometer_frequency_1H 600 _RDC_list.Bond_length_usage_flag . _RDC_list.Dipolar_constraint_calib_method . _RDC_list.Mol_align_tensor_axial_sym_mol . _RDC_list.Mol_align_tensor_rhombic_mol . _RDC_list.General_order_param_int_motions . _RDC_list.Assumed_H_N_bond_length . _RDC_list.Assumed_H_C_bond_length . _RDC_list.Assumed_C_N_bond_length . _RDC_list.Details . _RDC_list.Text_data_format . _RDC_list.Text_data . loop_ _RDC_experiment.Experiment_ID _RDC_experiment.Experiment_name _RDC_experiment.Sample_ID _RDC_experiment.Sample_label _RDC_experiment.Sample_state _RDC_experiment.Entry_ID _RDC_experiment.RDC_list_ID 14 'NH J-Modulation' . . . 17723 3 stop_ loop_ _RDC.ID _RDC.RDC_code _RDC.Assembly_atom_ID_1 _RDC.Entity_assembly_ID_1 _RDC.Entity_ID_1 _RDC.Comp_index_ID_1 _RDC.Seq_ID_1 _RDC.Comp_ID_1 _RDC.Atom_ID_1 _RDC.Atom_type_1 _RDC.Atom_isotope_number_1 _RDC.Ambiguity_code_1 _RDC.Assembly_atom_ID_2 _RDC.Entity_assembly_ID_2 _RDC.Entity_ID_2 _RDC.Comp_index_ID_2 _RDC.Seq_ID_2 _RDC.Comp_ID_2 _RDC.Atom_ID_2 _RDC.Atom_type_2 _RDC.Atom_isotope_number_2 _RDC.Ambiguity_code_2 _RDC.Val _RDC.Val_min _RDC.Val_max _RDC.Val_err _RDC.Val_bond_length _RDC.Resonance_ID_1 _RDC.Resonance_ID_2 _RDC.Auth_entity_assembly_ID_1 _RDC.Auth_seq_ID_1 _RDC.Auth_comp_ID_1 _RDC.Auth_atom_ID_1 _RDC.Auth_entity_assembly_ID_2 _RDC.Auth_seq_ID_2 _RDC.Auth_comp_ID_2 _RDC.Auth_atom_ID_2 _RDC.Entry_ID _RDC.RDC_list_ID 1 DNH . 1 1 5 5 LEU N N 15 . . 1 1 5 5 LEU H H 1 . -3.86980000000001 . . 1.5 . . . 1 5 LEU N 1 5 LEU H 17723 3 2 DNH . 1 1 6 6 ILE N N 15 . . 1 1 6 6 ILE H H 1 . -6.3877 . . 1.5 . . . 1 6 ILE N 1 6 ILE H 17723 3 3 DNH . 1 1 7 7 ALA N N 15 . . 1 1 7 7 ALA H H 1 . -9.884 . . 1.5 . . . 1 7 ALA N 1 7 ALA H 17723 3 4 DNH . 1 1 8 8 GLN N N 15 . . 1 1 8 8 GLN H H 1 . -10.1677 . . 1.5 . . . 1 8 GLN N 1 8 GLN H 17723 3 5 DNH . 1 1 12 12 VAL N N 15 . . 1 1 12 12 VAL H H 1 . -11.8528 . . 1.5 . . . 1 12 VAL N 1 12 VAL H 17723 3 6 DNH . 1 1 14 14 ASN N N 15 . . 1 1 14 14 ASN H H 1 . -11.4763 . . 1.5 . . . 1 14 ASN N 1 14 ASN H 17723 3 7 DNH . 1 1 17 17 ILE N N 15 . . 1 1 17 17 ILE H H 1 . -3.7867 . . 1.5 . . . 1 17 ILE N 1 17 ILE H 17723 3 8 DNH . 1 1 18 18 GLU N N 15 . . 1 1 18 18 GLU H H 1 . 7.7383 . . 1.5 . . . 1 18 GLU N 1 18 GLU H 17723 3 9 DNH . 1 1 20 20 VAL N N 15 . . 1 1 20 20 VAL H H 1 . -3.5744 . . 1.5 . . . 1 20 VAL N 1 20 VAL H 17723 3 10 DNH . 1 1 21 21 TRP N N 15 . . 1 1 21 21 TRP H H 1 . 1.0933 . . 1.5 . . . 1 21 TRP N 1 21 TRP H 17723 3 11 DNH . 1 1 22 22 GLU N N 15 . . 1 1 22 22 GLU H H 1 . 7.4362 . . 1.5 . . . 1 22 GLU N 1 22 GLU H 17723 3 12 DNH . 1 1 28 28 GLU N N 15 . . 1 1 28 28 GLU H H 1 . -11.0181 . . 1.5 . . . 1 28 GLU N 1 28 GLU H 17723 3 13 DNH . 1 1 29 29 ILE N N 15 . . 1 1 29 29 ILE H H 1 . -4.3629 . . 1.5 . . . 1 29 ILE N 1 29 ILE H 17723 3 14 DNH . 1 1 32 32 GLU N N 15 . . 1 1 32 32 GLU H H 1 . -11.226 . . 1.5 . . . 1 32 GLU N 1 32 GLU H 17723 3 15 DNH . 1 1 39 39 VAL N N 15 . . 1 1 39 39 VAL H H 1 . 16.4324 . . 1.5 . . . 1 39 VAL N 1 39 VAL H 17723 3 16 DNH . 1 1 41 41 SER N N 15 . . 1 1 41 41 SER H H 1 . 16.2562 . . 1.5 . . . 1 41 SER N 1 41 SER H 17723 3 17 DNH . 1 1 46 46 GLY N N 15 . . 1 1 46 46 GLY H H 1 . -11.0105 . . 1.5 . . . 1 46 GLY N 1 46 GLY H 17723 3 18 DNH . 1 1 49 49 ILE N N 15 . . 1 1 49 49 ILE H H 1 . 14.3674 . . 1.5 . . . 1 49 ILE N 1 49 ILE H 17723 3 19 DNH . 1 1 50 50 VAL N N 15 . . 1 1 50 50 VAL H H 1 . 13.703 . . 1.5 . . . 1 50 VAL N 1 50 VAL H 17723 3 20 DNH . 1 1 56 56 LYS N N 15 . . 1 1 56 56 LYS H H 1 . 9.32260000000001 . . 1.5 . . . 1 56 LYS N 1 56 LYS H 17723 3 21 DNH . 1 1 59 59 ALA N N 15 . . 1 1 59 59 ALA H H 1 . -2.5878 . . 1.5 . . . 1 59 ALA N 1 59 ALA H 17723 3 22 DNH . 1 1 60 60 TYR N N 15 . . 1 1 60 60 TYR H H 1 . 17.0851 . . 1.5 . . . 1 60 TYR N 1 60 TYR H 17723 3 23 DNH . 1 1 64 64 GLY N N 15 . . 1 1 64 64 GLY H H 1 . 3.7371 . . 1.5 . . . 1 64 GLY N 1 64 GLY H 17723 3 24 DNH . 1 1 66 66 ILE N N 15 . . 1 1 66 66 ILE H H 1 . -7.67540000000001 . . 1.5 . . . 1 66 ILE N 1 66 ILE H 17723 3 25 DNH . 1 1 67 67 LEU N N 15 . . 1 1 67 67 LEU H H 1 . -8.5842 . . 1.5 . . . 1 67 LEU N 1 67 LEU H 17723 3 26 DNH . 1 1 69 69 PHE N N 15 . . 1 1 69 69 PHE H H 1 . -8.416 . . 1.5 . . . 1 69 PHE N 1 69 PHE H 17723 3 27 DNH . 1 1 70 70 ASN N N 15 . . 1 1 70 70 ASN H H 1 . -10.7131 . . 1.5 . . . 1 70 ASN N 1 70 ASN H 17723 3 28 DNH . 1 1 71 71 GLU N N 15 . . 1 1 71 71 GLU H H 1 . -11.0624 . . 1.5 . . . 1 71 GLU N 1 71 GLU H 17723 3 29 DNH . 1 1 72 72 ARG N N 15 . . 1 1 72 72 ARG H H 1 . -8.33750000000001 . . 1.5 . . . 1 72 ARG N 1 72 ARG H 17723 3 30 DNH . 1 1 74 74 ILE N N 15 . . 1 1 74 74 ILE H H 1 . -8.0466 . . 1.5 . . . 1 74 ILE N 1 74 ILE H 17723 3 31 DNH . 1 1 75 75 LEU N N 15 . . 1 1 75 75 LEU H H 1 . -10.6219 . . 1.5 . . . 1 75 LEU N 1 75 LEU H 17723 3 32 DNH . 1 1 76 76 GLN N N 15 . . 1 1 76 76 GLN H H 1 . -8.79260000000001 . . 1.5 . . . 1 76 GLN N 1 76 GLN H 17723 3 33 DNH . 1 1 77 77 TYR N N 15 . . 1 1 77 77 TYR H H 1 . -10.7483 . . 1.5 . . . 1 77 TYR N 1 77 TYR H 17723 3 34 DNH . 1 1 78 78 SER N N 15 . . 1 1 78 78 SER H H 1 . -8.3857 . . 1.5 . . . 1 78 SER N 1 78 SER H 17723 3 35 DNH . 1 1 80 80 PHE N N 15 . . 1 1 80 80 PHE H H 1 . 2.5051 . . 1.5 . . . 1 80 PHE N 1 80 PHE H 17723 3 36 DNH . 1 1 94 94 HIS N N 15 . . 1 1 94 94 HIS H H 1 . 2.8387 . . 1.5 . . . 1 94 HIS N 1 94 HIS H 17723 3 37 DNH . 1 1 95 95 VAL N N 15 . . 1 1 95 95 VAL H H 1 . 1.9104 . . 1.5 . . . 1 95 VAL N 1 95 VAL H 17723 3 38 DNH . 1 1 97 97 THR N N 15 . . 1 1 97 97 THR H H 1 . -9.9772 . . 1.5 . . . 1 97 THR N 1 97 THR H 17723 3 39 DNH . 1 1 98 98 ILE N N 15 . . 1 1 98 98 ILE H H 1 . -10.3875 . . 1.5 . . . 1 98 ILE N 1 98 ILE H 17723 3 40 DNH . 1 1 99 99 THR N N 15 . . 1 1 99 99 THR H H 1 . -10.9401 . . 1.5 . . . 1 99 THR N 1 99 THR H 17723 3 41 DNH . 1 1 101 101 THR N N 15 . . 1 1 101 101 THR H H 1 . -12.2112 . . 1.5 . . . 1 101 THR N 1 101 THR H 17723 3 42 DNH . 1 1 104 104 LYS N N 15 . . 1 1 104 104 LYS H H 1 . 2.62910000000001 . . 1.5 . . . 1 104 LYS N 1 104 LYS H 17723 3 43 DNH . 1 1 105 105 LYS N N 15 . . 1 1 105 105 LYS H H 1 . 8.8586 . . 1.5 . . . 1 105 LYS N 1 105 LYS H 17723 3 44 DNH . 1 1 108 108 GLU N N 15 . . 1 1 108 108 GLU H H 1 . -12.1526 . . 1.5 . . . 1 108 GLU N 1 108 GLU H 17723 3 45 DNH . 1 1 109 109 VAL N N 15 . . 1 1 109 109 VAL H H 1 . -10.3638 . . 1.5 . . . 1 109 VAL N 1 109 VAL H 17723 3 46 DNH . 1 1 110 110 GLU N N 15 . . 1 1 110 110 GLU H H 1 . -11.7157 . . 1.5 . . . 1 110 GLU N 1 110 GLU H 17723 3 47 DNH . 1 1 111 111 LEU N N 15 . . 1 1 111 111 LEU H H 1 . -10.9879 . . 1.5 . . . 1 111 LEU N 1 111 LEU H 17723 3 48 DNH . 1 1 112 112 THR N N 15 . . 1 1 112 112 THR H H 1 . -9.4816 . . 1.5 . . . 1 112 THR N 1 112 THR H 17723 3 49 DNH . 1 1 113 113 GLN N N 15 . . 1 1 113 113 GLN H H 1 . -9.68690000000001 . . 1.5 . . . 1 113 GLN N 1 113 GLN H 17723 3 50 DNH . 1 1 114 114 ASP N N 15 . . 1 1 114 114 ASP H H 1 . -7.249 . . 1.5 . . . 1 114 ASP N 1 114 ASP H 17723 3 51 DNH . 1 1 115 115 ASN N N 15 . . 1 1 115 115 ASN H H 1 . -6.1644 . . 1.5 . . . 1 115 ASN N 1 115 ASN H 17723 3 52 DNH . 1 1 118 118 THR N N 15 . . 1 1 118 118 THR H H 1 . 10.4025 . . 1.5 . . . 1 118 THR N 1 118 THR H 17723 3 53 DNH . 1 1 119 119 GLU N N 15 . . 1 1 119 119 GLU H H 1 . 11.8617 . . 1.5 . . . 1 119 GLU N 1 119 GLU H 17723 3 54 DNH . 1 1 120 120 LYS N N 15 . . 1 1 120 120 LYS H H 1 . 17.0794 . . 1.5 . . . 1 120 LYS N 1 120 LYS H 17723 3 55 DNH . 1 1 121 121 GLU N N 15 . . 1 1 121 121 GLU H H 1 . 15.6462 . . 1.5 . . . 1 121 GLU N 1 121 GLU H 17723 3 56 DNH . 1 1 123 123 LYS N N 15 . . 1 1 123 123 LYS H H 1 . 14.864 . . 1.5 . . . 1 123 LYS N 1 123 LYS H 17723 3 57 DNH . 1 1 126 126 GLU N N 15 . . 1 1 126 126 GLU H H 1 . 12.4183 . . 1.5 . . . 1 126 GLU N 1 126 GLU H 17723 3 58 DNH . 1 1 128 128 ASN N N 15 . . 1 1 128 128 ASN H H 1 . 16.4379 . . 1.5 . . . 1 128 ASN N 1 128 ASN H 17723 3 59 DNH . 1 1 130 130 ASN N N 15 . . 1 1 130 130 ASN H H 1 . 11.1759 . . 1.5 . . . 1 130 ASN N 1 130 ASN H 17723 3 60 DNH . 1 1 131 131 THR N N 15 . . 1 1 131 131 THR H H 1 . 17.0681 . . 1.5 . . . 1 131 THR N 1 131 THR H 17723 3 61 DNH . 1 1 135 135 GLY N N 15 . . 1 1 135 135 GLY H H 1 . 18.8223 . . 1.5 . . . 1 135 GLY N 1 135 GLY H 17723 3 62 DNH . 1 1 138 138 LYS N N 15 . . 1 1 138 138 LYS H H 1 . 12.3899 . . 1.5 . . . 1 138 LYS N 1 138 LYS H 17723 3 63 DNH . 1 1 139 139 PHE N N 15 . . 1 1 139 139 PHE H H 1 . 19.9818 . . 1.5 . . . 1 139 PHE N 1 139 PHE H 17723 3 64 DNH . 1 1 140 140 LEU N N 15 . . 1 1 140 140 LEU H H 1 . 15.8991 . . 1.5 . . . 1 140 LEU N 1 140 LEU H 17723 3 stop_ save_ save_NC_Peg _RDC_list.Sf_category RDCs _RDC_list.Sf_framecode NC_Peg _RDC_list.Entry_ID 17723 _RDC_list.ID 4 _RDC_list.Sample_condition_list_ID 1 _RDC_list.Sample_condition_list_label $sample_conditions_1 _RDC_list.Spectrometer_frequency_1H 600 _RDC_list.Bond_length_usage_flag . _RDC_list.Dipolar_constraint_calib_method . _RDC_list.Mol_align_tensor_axial_sym_mol . _RDC_list.Mol_align_tensor_rhombic_mol . _RDC_list.General_order_param_int_motions . _RDC_list.Assumed_H_N_bond_length . _RDC_list.Assumed_H_C_bond_length . _RDC_list.Assumed_C_N_bond_length . _RDC_list.Details . _RDC_list.Text_data_format . _RDC_list.Text_data . loop_ _RDC_experiment.Experiment_ID _RDC_experiment.Experiment_name _RDC_experiment.Sample_ID _RDC_experiment.Sample_label _RDC_experiment.Sample_state _RDC_experiment.Entry_ID _RDC_experiment.RDC_list_ID 17 'NC J-Modulation' . . . 17723 4 stop_ loop_ _RDC.ID _RDC.RDC_code _RDC.Assembly_atom_ID_1 _RDC.Entity_assembly_ID_1 _RDC.Entity_ID_1 _RDC.Comp_index_ID_1 _RDC.Seq_ID_1 _RDC.Comp_ID_1 _RDC.Atom_ID_1 _RDC.Atom_type_1 _RDC.Atom_isotope_number_1 _RDC.Ambiguity_code_1 _RDC.Assembly_atom_ID_2 _RDC.Entity_assembly_ID_2 _RDC.Entity_ID_2 _RDC.Comp_index_ID_2 _RDC.Seq_ID_2 _RDC.Comp_ID_2 _RDC.Atom_ID_2 _RDC.Atom_type_2 _RDC.Atom_isotope_number_2 _RDC.Ambiguity_code_2 _RDC.Val _RDC.Val_min _RDC.Val_max _RDC.Val_err _RDC.Val_bond_length _RDC.Resonance_ID_1 _RDC.Resonance_ID_2 _RDC.Auth_entity_assembly_ID_1 _RDC.Auth_seq_ID_1 _RDC.Auth_comp_ID_1 _RDC.Auth_atom_ID_1 _RDC.Auth_entity_assembly_ID_2 _RDC.Auth_seq_ID_2 _RDC.Auth_comp_ID_2 _RDC.Auth_atom_ID_2 _RDC.Entry_ID _RDC.RDC_list_ID 1 DNC(i-1) . 1 1 6 6 ILE N N 15 . . 1 1 5 5 LEU C C 13 . 0.816700000000001 . . 1.5 . . . 1 6 I N 1 5 L C 17723 4 2 DNC(i-1) . 1 1 7 7 ALA N N 15 . . 1 1 6 6 ILE C C 13 . 0.2866 . . 1.5 . . . 1 7 A N 1 6 I C 17723 4 3 DNC(i-1) . 1 1 8 8 GLN N N 15 . . 1 1 7 7 ALA C C 13 . 0.1821 . . 1.5 . . . 1 8 Q N 1 7 A C 17723 4 4 DNC(i-1) . 1 1 15 15 ALA N N 15 . . 1 1 14 14 ASN C C 13 . -0.986500000000001 . . 1.5 . . . 1 15 A N 1 14 N C 17723 4 5 DNC(i-1) . 1 1 17 17 ILE N N 15 . . 1 1 16 16 PRO C C 13 . -0.2378 . . 1.5 . . . 1 17 I N 1 16 P C 17723 4 6 DNC(i-1) . 1 1 20 20 VAL N N 15 . . 1 1 19 19 LYS C C 13 . -0.0787000000000013 . . 1.5 . . . 1 20 V N 1 19 K C 17723 4 7 DNC(i-1) . 1 1 21 21 TRP N N 15 . . 1 1 20 20 VAL C C 13 . -1.1004 . . 1.5 . . . 1 21 W N 1 20 V C 17723 4 8 DNC(i-1) . 1 1 22 22 GLU N N 15 . . 1 1 21 21 TRP C C 13 . 1.7878 . . 1.5 . . . 1 22 E N 1 21 W C 17723 4 9 DNC(i-1) . 1 1 28 28 GLU N N 15 . . 1 1 27 27 PRO C C 13 . 1.8184 . . 1.5 . . . 1 28 E N 1 27 P C 17723 4 10 DNC(i-1) . 1 1 29 29 ILE N N 15 . . 1 1 28 28 GLU C C 13 . -0.4476 . . 1.5 . . . 1 29 I N 1 28 E C 17723 4 11 DNC(i-1) . 1 1 34 34 MET N N 15 . . 1 1 33 33 TYR C C 13 . -0.2744 . . 1.5 . . . 1 34 M N 1 33 Y C 17723 4 12 DNC(i-1) . 1 1 40 40 VAL N N 15 . . 1 1 39 39 VAL C C 13 . 1.0368 . . 1.5 . . . 1 40 V N 1 39 V C 17723 4 13 DNC(i-1) . 1 1 45 45 GLU N N 15 . . 1 1 44 44 LYS C C 13 . -0.6313 . . 1.5 . . . 1 45 E N 1 44 K C 17723 4 14 DNC(i-1) . 1 1 49 49 ILE N N 15 . . 1 1 48 48 GLN C C 13 . -1.3321 . . 1.5 . . . 1 49 I N 1 48 Q C 17723 4 15 DNC(i-1) . 1 1 58 58 LYS N N 15 . . 1 1 57 57 GLY C C 13 . -0.212700000000002 . . 1.5 . . . 1 58 K N 1 57 G C 17723 4 16 DNC(i-1) . 1 1 60 60 TYR N N 15 . . 1 1 59 59 ALA C C 13 . -0.6355 . . 1.5 . . . 1 60 Y N 1 59 A C 17723 4 17 DNC(i-1) . 1 1 66 66 ILE N N 15 . . 1 1 65 65 THR C C 13 . 0.5703 . . 1.5 . . . 1 66 I N 1 65 T C 17723 4 18 DNC(i-1) . 1 1 70 70 ASN N N 15 . . 1 1 69 69 PHE C C 13 . -0.3734 . . 1.5 . . . 1 70 N N 1 69 F C 17723 4 19 DNC(i-1) . 1 1 74 74 ILE N N 15 . . 1 1 73 73 SER C C 13 . -0.041500000000001 . . 1.5 . . . 1 74 I N 1 73 S C 17723 4 20 DNC(i-1) . 1 1 75 75 LEU N N 15 . . 1 1 74 74 ILE C C 13 . -1.1578 . . 1.5 . . . 1 75 L N 1 74 I C 17723 4 21 DNC(i-1) . 1 1 77 77 TYR N N 15 . . 1 1 76 76 GLN C C 13 . -0.6248 . . 1.5 . . . 1 77 Y N 1 76 Q C 17723 4 22 DNC(i-1) . 1 1 78 78 SER N N 15 . . 1 1 77 77 TYR C C 13 . 0.5806 . . 1.5 . . . 1 78 S N 1 77 Y C 17723 4 23 DNC(i-1) . 1 1 79 79 HIS N N 15 . . 1 1 78 78 SER C C 13 . -0.871 . . 1.5 . . . 1 79 H N 1 78 S C 17723 4 24 DNC(i-1) . 1 1 94 94 HIS N N 15 . . 1 1 93 93 TYR C C 13 . 1.686 . . 1.5 . . . 1 94 H N 1 93 Y C 17723 4 25 DNC(i-1) . 1 1 96 96 VAL N N 15 . . 1 1 95 95 VAL C C 13 . 1.8712 . . 1.5 . . . 1 96 V N 1 95 V C 17723 4 26 DNC(i-1) . 1 1 98 98 ILE N N 15 . . 1 1 97 97 THR C C 13 . 1.2517 . . 1.5 . . . 1 98 I N 1 97 T C 17723 4 27 DNC(i-1) . 1 1 99 99 THR N N 15 . . 1 1 98 98 ILE C C 13 . -0.6273 . . 1.5 . . . 1 99 T N 1 98 I C 17723 4 28 DNC(i-1) . 1 1 101 101 THR N N 15 . . 1 1 100 100 LEU C C 13 . -0.3216 . . 1.5 . . . 1 101 T N 1 100 L C 17723 4 29 DNC(i-1) . 1 1 102 102 ALA N N 15 . . 1 1 101 101 THR C C 13 . 0.1845 . . 1.5 . . . 1 102 A N 1 101 T C 17723 4 30 DNC(i-1) . 1 1 104 104 LYS N N 15 . . 1 1 103 103 LEU C C 13 . -0.1729 . . 1.5 . . . 1 104 K N 1 103 L C 17723 4 31 DNC(i-1) . 1 1 105 105 LYS N N 15 . . 1 1 104 104 LYS C C 13 . -0.706700000000001 . . 1.5 . . . 1 105 K N 1 104 K C 17723 4 32 DNC(i-1) . 1 1 108 108 GLU N N 15 . . 1 1 107 107 VAL C C 13 . 1.0553 . . 1.5 . . . 1 108 E N 1 107 V C 17723 4 33 DNC(i-1) . 1 1 109 109 VAL N N 15 . . 1 1 108 108 GLU C C 13 . -0.7095 . . 1.5 . . . 1 109 V N 1 108 E C 17723 4 34 DNC(i-1) . 1 1 116 116 ASN N N 15 . . 1 1 115 115 ASN C C 13 . -0.7864 . . 1.5 . . . 1 116 N N 1 115 N C 17723 4 35 DNC(i-1) . 1 1 119 119 GLU N N 15 . . 1 1 118 118 THR C C 13 . -1.0421 . . 1.5 . . . 1 119 E N 1 118 T C 17723 4 36 DNC(i-1) . 1 1 120 120 LYS N N 15 . . 1 1 119 119 GLU C C 13 . -0.4671 . . 1.5 . . . 1 120 K N 1 119 E C 17723 4 37 DNC(i-1) . 1 1 123 123 LYS N N 15 . . 1 1 122 122 GLN C C 13 . -1.414 . . 1.5 . . . 1 123 K N 1 122 Q C 17723 4 38 DNC(i-1) . 1 1 126 126 GLU N N 15 . . 1 1 125 125 SER C C 13 . -0.955 . . 1.5 . . . 1 126 E N 1 125 S C 17723 4 39 DNC(i-1) . 1 1 130 130 ASN N N 15 . . 1 1 129 129 TRP C C 13 . -1.1048 . . 1.5 . . . 1 130 N N 1 129 W C 17723 4 40 DNC(i-1) . 1 1 131 131 THR N N 15 . . 1 1 130 130 ASN C C 13 . -0.621900000000002 . . 1.5 . . . 1 131 T N 1 130 N C 17723 4 41 DNC(i-1) . 1 1 135 135 GLY N N 15 . . 1 1 134 134 GLU C C 13 . -0.3523 . . 1.5 . . . 1 135 G N 1 134 E C 17723 4 42 DNC(i-1) . 1 1 139 139 PHE N N 15 . . 1 1 138 138 LYS C C 13 . -0.2996 . . 1.5 . . . 1 139 F N 1 138 K C 17723 4 43 DNC(i-1) . 1 1 144 144 VAL N N 15 . . 1 1 143 143 LYS C C 13 . -0.2728 . . 1.5 . . . 1 144 V N 1 143 K C 17723 4 stop_ save_ save_NH_GEL _RDC_list.Sf_category RDCs _RDC_list.Sf_framecode NH_GEL _RDC_list.Entry_ID 17723 _RDC_list.ID 5 _RDC_list.Sample_condition_list_ID 1 _RDC_list.Sample_condition_list_label $sample_conditions_1 _RDC_list.Spectrometer_frequency_1H 600 _RDC_list.Bond_length_usage_flag . _RDC_list.Dipolar_constraint_calib_method . _RDC_list.Mol_align_tensor_axial_sym_mol . _RDC_list.Mol_align_tensor_rhombic_mol . _RDC_list.General_order_param_int_motions . _RDC_list.Assumed_H_N_bond_length . _RDC_list.Assumed_H_C_bond_length . _RDC_list.Assumed_C_N_bond_length . _RDC_list.Details 'NH RDC of neutral stretch gel' _RDC_list.Text_data_format . _RDC_list.Text_data . loop_ _RDC_experiment.Experiment_ID _RDC_experiment.Experiment_name _RDC_experiment.Sample_ID _RDC_experiment.Sample_label _RDC_experiment.Sample_state _RDC_experiment.Entry_ID _RDC_experiment.RDC_list_ID 15 'NH J-Modulation' . . . 17723 5 stop_ loop_ _RDC.ID _RDC.RDC_code _RDC.Assembly_atom_ID_1 _RDC.Entity_assembly_ID_1 _RDC.Entity_ID_1 _RDC.Comp_index_ID_1 _RDC.Seq_ID_1 _RDC.Comp_ID_1 _RDC.Atom_ID_1 _RDC.Atom_type_1 _RDC.Atom_isotope_number_1 _RDC.Ambiguity_code_1 _RDC.Assembly_atom_ID_2 _RDC.Entity_assembly_ID_2 _RDC.Entity_ID_2 _RDC.Comp_index_ID_2 _RDC.Seq_ID_2 _RDC.Comp_ID_2 _RDC.Atom_ID_2 _RDC.Atom_type_2 _RDC.Atom_isotope_number_2 _RDC.Ambiguity_code_2 _RDC.Val _RDC.Val_min _RDC.Val_max _RDC.Val_err _RDC.Val_bond_length _RDC.Resonance_ID_1 _RDC.Resonance_ID_2 _RDC.Auth_entity_assembly_ID_1 _RDC.Auth_seq_ID_1 _RDC.Auth_comp_ID_1 _RDC.Auth_atom_ID_1 _RDC.Auth_entity_assembly_ID_2 _RDC.Auth_seq_ID_2 _RDC.Auth_comp_ID_2 _RDC.Auth_atom_ID_2 _RDC.Entry_ID _RDC.RDC_list_ID 1 DNH . 1 1 4 4 LYS N N 15 . . 1 1 4 4 LYS H H 1 . -11.6813 . . 1.5 . . . 1 4 K N 1 4 K H 17723 5 2 DNH . 1 1 5 5 LEU N N 15 . . 1 1 5 5 LEU H H 1 . -2.14150000000001 . . 1.5 . . . 1 5 L N 1 5 L H 17723 5 3 DNH . 1 1 6 6 ILE N N 15 . . 1 1 6 6 ILE H H 1 . -4.66 . . 1.5 . . . 1 6 I N 1 6 I H 17723 5 4 DNH . 1 1 8 8 GLN N N 15 . . 1 1 8 8 GLN H H 1 . -12.1507 . . 1.5 . . . 1 8 Q N 1 8 Q H 17723 5 5 DNH . 1 1 9 9 VAL N N 15 . . 1 1 9 9 VAL H H 1 . -13.8839 . . 1.5 . . . 1 9 V N 1 9 V H 17723 5 6 DNH . 1 1 14 14 ASN N N 15 . . 1 1 14 14 ASN H H 1 . -9.00830000000001 . . 1.5 . . . 1 14 N N 1 14 N H 17723 5 7 DNH . 1 1 20 20 VAL N N 15 . . 1 1 20 20 VAL H H 1 . 2.69970000000001 . . 1.5 . . . 1 20 V N 1 20 V H 17723 5 8 DNH . 1 1 22 22 GLU N N 15 . . 1 1 22 22 GLU H H 1 . 17.8346 . . 1.5 . . . 1 22 E N 1 22 E H 17723 5 9 DNH . 1 1 23 23 ALA N N 15 . . 1 1 23 23 ALA H H 1 . 3.452 . . 1.5 . . . 1 23 A N 1 23 A H 17723 5 10 DNH . 1 1 24 24 LEU N N 15 . . 1 1 24 24 LEU H H 1 . -0.491900000000001 . . 1.5 . . . 1 24 L N 1 24 L H 17723 5 11 DNH . 1 1 28 28 GLU N N 15 . . 1 1 28 28 GLU H H 1 . -11.1031 . . 1.5 . . . 1 28 E N 1 28 E H 17723 5 12 DNH . 1 1 29 29 ILE N N 15 . . 1 1 29 29 ILE H H 1 . -11.97 . . 1.5 . . . 1 29 I N 1 29 I H 17723 5 13 DNH . 1 1 30 30 ILE N N 15 . . 1 1 30 30 ILE H H 1 . -16.0993 . . 1.5 . . . 1 30 I N 1 30 I H 17723 5 14 DNH . 1 1 39 39 VAL N N 15 . . 1 1 39 39 VAL H H 1 . 17.403 . . 1.5 . . . 1 39 V N 1 39 V H 17723 5 15 DNH . 1 1 40 40 VAL N N 15 . . 1 1 40 40 VAL H H 1 . 18.7223 . . 1.5 . . . 1 40 V N 1 40 V H 17723 5 16 DNH . 1 1 41 41 SER N N 15 . . 1 1 41 41 SER H H 1 . 9.6087 . . 1.5 . . . 1 41 S N 1 41 S H 17723 5 17 DNH . 1 1 43 43 TRP N N 15 . . 1 1 43 43 TRP H H 1 . 3.3207 . . 1.5 . . . 1 43 W N 1 43 W H 17723 5 18 DNH . 1 1 44 44 LYS N N 15 . . 1 1 44 44 LYS H H 1 . 4.9901 . . 1.5 . . . 1 44 K N 1 44 K H 17723 5 19 DNH . 1 1 45 45 GLU N N 15 . . 1 1 45 45 GLU H H 1 . 6.8815 . . 1.5 . . . 1 45 E N 1 45 E H 17723 5 20 DNH . 1 1 48 48 GLN N N 15 . . 1 1 48 48 GLN H H 1 . -8.8526 . . 1.5 . . . 1 48 Q N 1 48 Q H 17723 5 21 DNH . 1 1 49 49 ILE N N 15 . . 1 1 49 49 ILE H H 1 . 16.5121 . . 1.5 . . . 1 49 I N 1 49 I H 17723 5 22 DNH . 1 1 54 54 GLU N N 15 . . 1 1 54 54 GLU H H 1 . 9.9496 . . 1.5 . . . 1 54 E N 1 54 E H 17723 5 23 DNH . 1 1 56 56 LYS N N 15 . . 1 1 56 56 LYS H H 1 . 14.0702 . . 1.5 . . . 1 56 K N 1 56 K H 17723 5 24 DNH . 1 1 57 57 GLY N N 15 . . 1 1 57 57 GLY H H 1 . 21.1643 . . 1.5 . . . 1 57 G N 1 57 G H 17723 5 25 DNH . 1 1 58 58 LYS N N 15 . . 1 1 58 58 LYS H H 1 . -4.2056 . . 1.5 . . . 1 58 K N 1 58 K H 17723 5 26 DNH . 1 1 59 59 ALA N N 15 . . 1 1 59 59 ALA H H 1 . -0.418500000000009 . . 1.5 . . . 1 59 A N 1 59 A H 17723 5 27 DNH . 1 1 60 60 TYR N N 15 . . 1 1 60 60 TYR H H 1 . 15.5312 . . 1.5 . . . 1 60 Y N 1 60 Y H 17723 5 28 DNH . 1 1 64 64 GLY N N 15 . . 1 1 64 64 GLY H H 1 . 6.68380000000001 . . 1.5 . . . 1 64 G N 1 64 G H 17723 5 29 DNH . 1 1 66 66 ILE N N 15 . . 1 1 66 66 ILE H H 1 . -6.3814 . . 1.5 . . . 1 66 I N 1 66 I H 17723 5 30 DNH . 1 1 67 67 LEU N N 15 . . 1 1 67 67 LEU H H 1 . -11.7752 . . 1.5 . . . 1 67 L N 1 67 L H 17723 5 31 DNH . 1 1 70 70 ASN N N 15 . . 1 1 70 70 ASN H H 1 . -19.6911 . . 1.5 . . . 1 70 N N 1 70 N H 17723 5 32 DNH . 1 1 72 72 ARG N N 15 . . 1 1 72 72 ARG H H 1 . -8.53150000000001 . . 1.5 . . . 1 72 R N 1 72 R H 17723 5 33 DNH . 1 1 74 74 ILE N N 15 . . 1 1 74 74 ILE H H 1 . -10.0286 . . 1.5 . . . 1 74 I N 1 74 I H 17723 5 34 DNH . 1 1 75 75 LEU N N 15 . . 1 1 75 75 LEU H H 1 . -15.8899 . . 1.5 . . . 1 75 L N 1 75 L H 17723 5 35 DNH . 1 1 76 76 GLN N N 15 . . 1 1 76 76 GLN H H 1 . -10.9596 . . 1.5 . . . 1 76 Q N 1 76 Q H 17723 5 36 DNH . 1 1 77 77 TYR N N 15 . . 1 1 77 77 TYR H H 1 . -14.6823 . . 1.5 . . . 1 77 Y N 1 77 Y H 17723 5 37 DNH . 1 1 79 79 HIS N N 15 . . 1 1 79 79 HIS H H 1 . 4.3245 . . 1.5 . . . 1 79 H N 1 79 H H 17723 5 38 DNH . 1 1 80 80 PHE N N 15 . . 1 1 80 80 PHE H H 1 . 5.9836 . . 1.5 . . . 1 80 F N 1 80 F H 17723 5 39 DNH . 1 1 94 94 HIS N N 15 . . 1 1 94 94 HIS H H 1 . 3.295 . . 1.5 . . . 1 94 H N 1 94 H H 17723 5 40 DNH . 1 1 95 95 VAL N N 15 . . 1 1 95 95 VAL H H 1 . 4.2829 . . 1.5 . . . 1 95 V N 1 95 V H 17723 5 41 DNH . 1 1 96 96 VAL N N 15 . . 1 1 96 96 VAL H H 1 . -5.5506 . . 1.5 . . . 1 96 V N 1 96 V H 17723 5 42 DNH . 1 1 97 97 THR N N 15 . . 1 1 97 97 THR H H 1 . -15.4712 . . 1.5 . . . 1 97 T N 1 97 T H 17723 5 43 DNH . 1 1 98 98 ILE N N 15 . . 1 1 98 98 ILE H H 1 . -9.25750000000001 . . 1.5 . . . 1 98 I N 1 98 I H 17723 5 44 DNH . 1 1 99 99 THR N N 15 . . 1 1 99 99 THR H H 1 . -21.3861 . . 1.5 . . . 1 99 T N 1 99 T H 17723 5 45 DNH . 1 1 100 100 LEU N N 15 . . 1 1 100 100 LEU H H 1 . -9.8848 . . 1.5 . . . 1 100 L N 1 100 L H 17723 5 46 DNH . 1 1 103 103 LEU N N 15 . . 1 1 103 103 LEU H H 1 . -12.8299 . . 1.5 . . . 1 103 L N 1 103 L H 17723 5 47 DNH . 1 1 107 107 VAL N N 15 . . 1 1 107 107 VAL H H 1 . -14.9569 . . 1.5 . . . 1 107 V N 1 107 V H 17723 5 48 DNH . 1 1 108 108 GLU N N 15 . . 1 1 108 108 GLU H H 1 . -14.5536 . . 1.5 . . . 1 108 E N 1 108 E H 17723 5 49 DNH . 1 1 110 110 GLU N N 15 . . 1 1 110 110 GLU H H 1 . -13.4587 . . 1.5 . . . 1 110 E N 1 110 E H 17723 5 50 DNH . 1 1 111 111 LEU N N 15 . . 1 1 111 111 LEU H H 1 . -15.5679 . . 1.5 . . . 1 111 L N 1 111 L H 17723 5 51 DNH . 1 1 112 112 THR N N 15 . . 1 1 112 112 THR H H 1 . -11.5656 . . 1.5 . . . 1 112 T N 1 112 T H 17723 5 52 DNH . 1 1 113 113 GLN N N 15 . . 1 1 113 113 GLN H H 1 . -11.3479 . . 1.5 . . . 1 113 Q N 1 113 Q H 17723 5 53 DNH . 1 1 114 114 ASP N N 15 . . 1 1 114 114 ASP H H 1 . -10.371 . . 1.5 . . . 1 114 D N 1 114 D H 17723 5 54 DNH . 1 1 115 115 ASN N N 15 . . 1 1 115 115 ASN H H 1 . -12.2849 . . 1.5 . . . 1 115 N N 1 115 N H 17723 5 55 DNH . 1 1 117 117 GLU N N 15 . . 1 1 117 117 GLU H H 1 . -3.9303 . . 1.5 . . . 1 117 E N 1 117 E H 17723 5 56 DNH . 1 1 118 118 THR N N 15 . . 1 1 118 118 THR H H 1 . 13.6846 . . 1.5 . . . 1 118 T N 1 118 T H 17723 5 57 DNH . 1 1 120 120 LYS N N 15 . . 1 1 120 120 LYS H H 1 . 14.0696 . . 1.5 . . . 1 120 K N 1 120 K H 17723 5 58 DNH . 1 1 123 123 LYS N N 15 . . 1 1 123 123 LYS H H 1 . 12.6587 . . 1.5 . . . 1 123 K N 1 123 K H 17723 5 59 DNH . 1 1 125 125 SER N N 15 . . 1 1 125 125 SER H H 1 . 9.1472 . . 1.5 . . . 1 125 S N 1 125 S H 17723 5 60 DNH . 1 1 126 126 GLU N N 15 . . 1 1 126 126 GLU H H 1 . 13.5757 . . 1.5 . . . 1 126 E N 1 126 E H 17723 5 61 DNH . 1 1 128 128 ASN N N 15 . . 1 1 128 128 ASN H H 1 . 15.6616 . . 1.5 . . . 1 128 N N 1 128 N H 17723 5 62 DNH . 1 1 129 129 TRP N N 15 . . 1 1 129 129 TRP H H 1 . 20.7463 . . 1.5 . . . 1 129 W N 1 129 W H 17723 5 63 DNH . 1 1 134 134 GLU N N 15 . . 1 1 134 134 GLU H H 1 . 12.3033 . . 1.5 . . . 1 134 E N 1 134 E H 17723 5 64 DNH . 1 1 136 136 LEU N N 15 . . 1 1 136 136 LEU H H 1 . 8.7244 . . 1.5 . . . 1 136 L N 1 136 L H 17723 5 65 DNH . 1 1 139 139 PHE N N 15 . . 1 1 139 139 PHE H H 1 . 15.541 . . 1.5 . . . 1 139 F N 1 139 F H 17723 5 66 DNH . 1 1 140 140 LEU N N 15 . . 1 1 140 140 LEU H H 1 . 21.4031 . . 1.5 . . . 1 140 L N 1 140 L H 17723 5 67 DNH . 1 1 143 143 LYS N N 15 . . 1 1 143 143 LYS H H 1 . 8.1777 . . 1.5 . . . 1 143 K N 1 143 K H 17723 5 stop_ save_