data_16697 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16697 _Entry.Title ; RRM domain of mRNA export adaptor REF2-I backbone assignment ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-01-29 _Entry.Accession_date 2010-01-29 _Entry.Last_release_date 2011-01-25 _Entry.Original_release_date 2011-01-25 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Richard Tunnicliffe N. B. . 16697 2 Alexander Golovanov . P. . 16697 3 Stuart Wilson . A. . 16697 4 Guillaume Hautbergue . M. . 16697 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID . 'not applicable' 'not applicable' . 16697 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'REF ICP27 HSV-1' . 16697 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16697 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 325 16697 '15N chemical shifts' 113 16697 '1H chemical shifts' 113 16697 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2011-01-25 2010-01-29 original author . 16697 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 16683 'REF 54-155 with ICP27 103-138' 16697 PDB 2F3J 'REF in free form' 16697 PDB 2KT5 'BMRB Entry Tracking System' 16697 stop_ save_ ############### # Citations # ############### save_citations _Citation.Sf_category citations _Citation.Sf_framecode citations _Citation.Entry_ID 16697 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 21253573 _Citation.Full_citation . _Citation.Title 'Structural Basis for the Recognition of Cellular mRNA Export Factor REF by Herpes Viral Proteins HSV-1 ICP27 and HVS ORF57.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'PLoS Pathog.' _Citation.Journal_name_full 'PLoS pathogens' _Citation.Journal_volume 7 _Citation.Journal_issue 1 _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 e1001244 _Citation.Page_last . _Citation.Year 2011 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Richard Tunnicliffe . B. . 16697 1 2 Guillaume Hautbergue . M. . 16697 1 3 Priti Kalra . . . 16697 1 4 Brian Jackson . R. . 16697 1 5 Adrian Whitehouse . . . 16697 1 6 Stuart Wilson . A. . 16697 1 7 Alexander Golovanov . P. . 16697 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16697 _Assembly.ID 1 _Assembly.Name REF2-I _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 REF_54-155 1 $REF_54-155 A . yes native no no . . . 16697 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_REF_54-155 _Entity.Sf_category entity _Entity.Sf_framecode REF_54-155 _Entity.Entry_ID 16697 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name REF_54-155 _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 ; MASMTGGQQMGRDPDKWQHD LFDSGCGGGEGVETGAKLLV SNLDFGVSDADIQELFAEFG TLKKAAVDYDRSGRSLGTAD VHFERRADALKAMKQYKGVP LDGRPMDIQLVASQIDLEHH HHHH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 'Residues 54-155 are correctly numbered for wild type sequence' _Entity.Polymer_author_seq_details ; Construct contains the following non-REF sequences: N-terminal T7 tag: MASMTGGQQMGRDP (assigned residue numbers 40-53) C-terminal His tag: LEHHHHHH (assigned residue numbers 156-163) ; _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 124 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment 'REF fragment containing stable RRM domain' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 13596.237 _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 BMRB 16683 . REF_54-155 . . . . . 100.00 124 100.00 100.00 3.89e-84 . . . . 16697 1 2 no BMRB 17693 . RNA_AND_EXPORT_FACTOR-BINDING_PROTEIN_2 . . . . . 100.00 124 100.00 100.00 3.89e-84 . . . . 16697 1 3 no PDB 2KT5 . "Rrm Domain Of Mrna Export Adaptor Ref2-I Bound To Hsv-1 Icp27 Peptide" . . . . . 100.00 124 100.00 100.00 3.89e-84 . . . . 16697 1 4 no PDB 2YKA . "Rrm Domain Of Mrna Export Adaptor Ref2-i Bound To Hvs Orf57 Peptide" . . . . . 99.19 124 100.00 100.00 2.66e-83 . . . . 16697 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 40 MET . 16697 1 2 41 ALA . 16697 1 3 42 SER . 16697 1 4 43 MET . 16697 1 5 44 THR . 16697 1 6 45 GLY . 16697 1 7 46 GLY . 16697 1 8 47 GLN . 16697 1 9 48 GLN . 16697 1 10 49 MET . 16697 1 11 50 GLY . 16697 1 12 51 ARG . 16697 1 13 52 ASP . 16697 1 14 53 PRO . 16697 1 15 54 ASP . 16697 1 16 55 LYS . 16697 1 17 56 TRP . 16697 1 18 57 GLN . 16697 1 19 58 HIS . 16697 1 20 59 ASP . 16697 1 21 60 LEU . 16697 1 22 61 PHE . 16697 1 23 62 ASP . 16697 1 24 63 SER . 16697 1 25 64 GLY . 16697 1 26 65 CYS . 16697 1 27 66 GLY . 16697 1 28 67 GLY . 16697 1 29 68 GLY . 16697 1 30 69 GLU . 16697 1 31 70 GLY . 16697 1 32 71 VAL . 16697 1 33 72 GLU . 16697 1 34 73 THR . 16697 1 35 74 GLY . 16697 1 36 75 ALA . 16697 1 37 76 LYS . 16697 1 38 77 LEU . 16697 1 39 78 LEU . 16697 1 40 79 VAL . 16697 1 41 80 SER . 16697 1 42 81 ASN . 16697 1 43 82 LEU . 16697 1 44 83 ASP . 16697 1 45 84 PHE . 16697 1 46 85 GLY . 16697 1 47 86 VAL . 16697 1 48 87 SER . 16697 1 49 88 ASP . 16697 1 50 89 ALA . 16697 1 51 90 ASP . 16697 1 52 91 ILE . 16697 1 53 92 GLN . 16697 1 54 93 GLU . 16697 1 55 94 LEU . 16697 1 56 95 PHE . 16697 1 57 96 ALA . 16697 1 58 97 GLU . 16697 1 59 98 PHE . 16697 1 60 99 GLY . 16697 1 61 100 THR . 16697 1 62 101 LEU . 16697 1 63 102 LYS . 16697 1 64 103 LYS . 16697 1 65 104 ALA . 16697 1 66 105 ALA . 16697 1 67 106 VAL . 16697 1 68 107 ASP . 16697 1 69 108 TYR . 16697 1 70 109 ASP . 16697 1 71 110 ARG . 16697 1 72 111 SER . 16697 1 73 112 GLY . 16697 1 74 113 ARG . 16697 1 75 114 SER . 16697 1 76 115 LEU . 16697 1 77 116 GLY . 16697 1 78 117 THR . 16697 1 79 118 ALA . 16697 1 80 119 ASP . 16697 1 81 120 VAL . 16697 1 82 121 HIS . 16697 1 83 122 PHE . 16697 1 84 123 GLU . 16697 1 85 124 ARG . 16697 1 86 125 ARG . 16697 1 87 126 ALA . 16697 1 88 127 ASP . 16697 1 89 128 ALA . 16697 1 90 129 LEU . 16697 1 91 130 LYS . 16697 1 92 131 ALA . 16697 1 93 132 MET . 16697 1 94 133 LYS . 16697 1 95 134 GLN . 16697 1 96 135 TYR . 16697 1 97 136 LYS . 16697 1 98 137 GLY . 16697 1 99 138 VAL . 16697 1 100 139 PRO . 16697 1 101 140 LEU . 16697 1 102 141 ASP . 16697 1 103 142 GLY . 16697 1 104 143 ARG . 16697 1 105 144 PRO . 16697 1 106 145 MET . 16697 1 107 146 ASP . 16697 1 108 147 ILE . 16697 1 109 148 GLN . 16697 1 110 149 LEU . 16697 1 111 150 VAL . 16697 1 112 151 ALA . 16697 1 113 152 SER . 16697 1 114 153 GLN . 16697 1 115 154 ILE . 16697 1 116 155 ASP . 16697 1 117 156 LEU . 16697 1 118 157 GLU . 16697 1 119 158 HIS . 16697 1 120 159 HIS . 16697 1 121 160 HIS . 16697 1 122 161 HIS . 16697 1 123 162 HIS . 16697 1 124 163 HIS . 16697 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 16697 1 . ALA 2 2 16697 1 . SER 3 3 16697 1 . MET 4 4 16697 1 . THR 5 5 16697 1 . GLY 6 6 16697 1 . GLY 7 7 16697 1 . GLN 8 8 16697 1 . GLN 9 9 16697 1 . MET 10 10 16697 1 . GLY 11 11 16697 1 . ARG 12 12 16697 1 . ASP 13 13 16697 1 . PRO 14 14 16697 1 . ASP 15 15 16697 1 . LYS 16 16 16697 1 . TRP 17 17 16697 1 . GLN 18 18 16697 1 . HIS 19 19 16697 1 . ASP 20 20 16697 1 . LEU 21 21 16697 1 . PHE 22 22 16697 1 . ASP 23 23 16697 1 . SER 24 24 16697 1 . GLY 25 25 16697 1 . CYS 26 26 16697 1 . GLY 27 27 16697 1 . GLY 28 28 16697 1 . GLY 29 29 16697 1 . GLU 30 30 16697 1 . GLY 31 31 16697 1 . VAL 32 32 16697 1 . GLU 33 33 16697 1 . THR 34 34 16697 1 . GLY 35 35 16697 1 . ALA 36 36 16697 1 . LYS 37 37 16697 1 . LEU 38 38 16697 1 . LEU 39 39 16697 1 . VAL 40 40 16697 1 . SER 41 41 16697 1 . ASN 42 42 16697 1 . LEU 43 43 16697 1 . ASP 44 44 16697 1 . PHE 45 45 16697 1 . GLY 46 46 16697 1 . VAL 47 47 16697 1 . SER 48 48 16697 1 . ASP 49 49 16697 1 . ALA 50 50 16697 1 . ASP 51 51 16697 1 . ILE 52 52 16697 1 . GLN 53 53 16697 1 . GLU 54 54 16697 1 . LEU 55 55 16697 1 . PHE 56 56 16697 1 . ALA 57 57 16697 1 . GLU 58 58 16697 1 . PHE 59 59 16697 1 . GLY 60 60 16697 1 . THR 61 61 16697 1 . LEU 62 62 16697 1 . LYS 63 63 16697 1 . LYS 64 64 16697 1 . ALA 65 65 16697 1 . ALA 66 66 16697 1 . VAL 67 67 16697 1 . ASP 68 68 16697 1 . TYR 69 69 16697 1 . ASP 70 70 16697 1 . ARG 71 71 16697 1 . SER 72 72 16697 1 . GLY 73 73 16697 1 . ARG 74 74 16697 1 . SER 75 75 16697 1 . LEU 76 76 16697 1 . GLY 77 77 16697 1 . THR 78 78 16697 1 . ALA 79 79 16697 1 . ASP 80 80 16697 1 . VAL 81 81 16697 1 . HIS 82 82 16697 1 . PHE 83 83 16697 1 . GLU 84 84 16697 1 . ARG 85 85 16697 1 . ARG 86 86 16697 1 . ALA 87 87 16697 1 . ASP 88 88 16697 1 . ALA 89 89 16697 1 . LEU 90 90 16697 1 . LYS 91 91 16697 1 . ALA 92 92 16697 1 . MET 93 93 16697 1 . LYS 94 94 16697 1 . GLN 95 95 16697 1 . TYR 96 96 16697 1 . LYS 97 97 16697 1 . GLY 98 98 16697 1 . VAL 99 99 16697 1 . PRO 100 100 16697 1 . LEU 101 101 16697 1 . ASP 102 102 16697 1 . GLY 103 103 16697 1 . ARG 104 104 16697 1 . PRO 105 105 16697 1 . MET 106 106 16697 1 . ASP 107 107 16697 1 . ILE 108 108 16697 1 . GLN 109 109 16697 1 . LEU 110 110 16697 1 . VAL 111 111 16697 1 . ALA 112 112 16697 1 . SER 113 113 16697 1 . GLN 114 114 16697 1 . ILE 115 115 16697 1 . ASP 116 116 16697 1 . LEU 117 117 16697 1 . GLU 118 118 16697 1 . HIS 119 119 16697 1 . HIS 120 120 16697 1 . HIS 121 121 16697 1 . HIS 122 122 16697 1 . HIS 123 123 16697 1 . HIS 124 124 16697 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 16697 _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 $REF_54-155 . 10090 organism . 'Mus musculus' Mouse . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . . . . . . . . . . . 16697 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 16697 _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 $REF_54-155 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'BL21 (DE3) RP' . . . . . . . . . . . . . . . pET24b . . . . . . 16697 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 16697 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '13C/15N-REF 54-155' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'REF 54-155' '[U-99% 13C; U-99% 15N]' . . 1 $REF_54-155 . . 1 . . mM 0.05 . . . 16697 1 2 'phosphate buffer' 'natural abundance' . . . . . . 20 . . mM . . . . 16697 1 3 NaCl 'natural abundance' . . . . . . 50 . . mM . . . . 16697 1 4 L-Arg 'natural abundance' . . . . . . 50 . . mM . . . . 16697 1 5 L-Glu 'natural abundance' . . . . . . 50 . . mM . . . . 16697 1 6 2-mercaptoethanol 'natural abundance' . . . . . . 50 . . mM . . . . 16697 1 7 DTT 'natural abundance' . . . . . . 10 . . mM . . . . 16697 1 8 EDTA 'natural abundance' . . . . . . 10 . . mM . . . . 16697 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions _Sample_condition_list.Entry_ID 16697 _Sample_condition_list.ID 1 _Sample_condition_list.Details '20 mM Na phosphate buffer, pH 6.2, 50 mM NaCl, 50 mM L-Arg, 50 mM L-Glu, 50 mM 2-mercaptoethanol, 10 mM DTT, 10 mM EDTA' 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' 50 0.5 mM 16697 1 pH 6.2 0.05 pH 16697 1 pressure 1 . atm 16697 1 temperature 303 0.1 K 16697 1 stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 16697 _Software.ID 1 _Software.Name SPARKY _Software.Version 3.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 16697 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 16697 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_600 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 600 _NMR_spectrometer.Entry_ID 16697 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _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 16697 _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 1 600 Bruker DRX . 600 . . . 16697 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 16697 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions . . . 1 $600 . . . . . . . . . . . . . . . . 16697 1 2 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions . . . 1 $600 . . . . . . . . . . . . . . . . 16697 1 3 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions . . . 1 $600 . . . . . . . . . . . . . . . . 16697 1 4 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions . . . 1 $600 . . . . . . . . . . . . . . . . 16697 1 5 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions . . . 1 $600 . . . . . . . . . . . . . . . . 16697 1 6 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions . . . 1 $600 . . . . . . . . . . . . . . . . 16697 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_shift_ref _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode shift_ref _Chem_shift_reference.Entry_ID 16697 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.251449530 . . . . . . . . . 16697 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 16697 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 16697 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 16697 _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 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $shift_ref _Assigned_chem_shift_list.Chem_shift_1H_err 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err 0.10 _Assigned_chem_shift_list.Chem_shift_15N_err 0.10 _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 'The file contains assignments for REF(54-155) in free form' _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' . . . 16697 1 2 '3D HNCO' . . . 16697 1 3 '3D HN(CA)CO' . . . 16697 1 4 '3D HNCA' . . . 16697 1 5 '3D CBCA(CO)NH' . . . 16697 1 6 '3D HNCACB' . . . 16697 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $SPARKY . . 16697 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 4 4 MET H H 1 8.681 0.020 . 1 . . . . 43 MET H . 16697 1 2 . 1 1 4 4 MET C C 13 176.431 0.100 . 1 . . . . 43 MET C . 16697 1 3 . 1 1 4 4 MET CA C 13 55.646 0.100 . 1 . . . . 43 MET CA . 16697 1 4 . 1 1 4 4 MET CB C 13 32.863 0.100 . 1 . . . . 43 MET CB . 16697 1 5 . 1 1 4 4 MET N N 15 122.765 0.100 . 1 . . . . 43 MET N . 16697 1 6 . 1 1 5 5 THR H H 1 8.252 0.020 . 1 . . . . 44 THR H . 16697 1 7 . 1 1 5 5 THR C C 13 175.099 0.100 . 1 . . . . 44 THR C . 16697 1 8 . 1 1 5 5 THR CA C 13 62.089 0.100 . 1 . . . . 44 THR CA . 16697 1 9 . 1 1 5 5 THR CB C 13 69.869 0.100 . 1 . . . . 44 THR CB . 16697 1 10 . 1 1 5 5 THR N N 15 114.608 0.100 . 1 . . . . 44 THR N . 16697 1 11 . 1 1 6 6 GLY H H 1 8.468 0.020 . 1 . . . . 45 GLY H . 16697 1 12 . 1 1 6 6 GLY C C 13 174.708 0.100 . 1 . . . . 45 GLY C . 16697 1 13 . 1 1 6 6 GLY CA C 13 45.477 0.100 . 1 . . . . 45 GLY CA . 16697 1 14 . 1 1 6 6 GLY N N 15 111.220 0.100 . 1 . . . . 45 GLY N . 16697 1 15 . 1 1 8 8 GLN H H 1 8.328 0.020 . 1 . . . . 47 GLN H . 16697 1 16 . 1 1 8 8 GLN C C 13 176.053 0.100 . 1 . . . . 47 GLN C . 16697 1 17 . 1 1 8 8 GLN CA C 13 56.054 0.100 . 1 . . . . 47 GLN CA . 16697 1 18 . 1 1 8 8 GLN CB C 13 29.354 0.100 . 1 . . . . 47 GLN CB . 16697 1 19 . 1 1 8 8 GLN N N 15 119.735 0.100 . 1 . . . . 47 GLN N . 16697 1 20 . 1 1 9 9 GLN H H 1 8.511 0.020 . 1 . . . . 48 GLN H . 16697 1 21 . 1 1 9 9 GLN C C 13 175.993 0.100 . 1 . . . . 48 GLN C . 16697 1 22 . 1 1 9 9 GLN CA C 13 55.983 0.100 . 1 . . . . 48 GLN CA . 16697 1 23 . 1 1 9 9 GLN CB C 13 29.190 0.100 . 1 . . . . 48 GLN CB . 16697 1 24 . 1 1 9 9 GLN N N 15 121.328 0.100 . 1 . . . . 48 GLN N . 16697 1 25 . 1 1 10 10 MET H H 1 8.432 0.020 . 1 . . . . 49 MET H . 16697 1 26 . 1 1 10 10 MET C C 13 176.643 0.100 . 1 . . . . 49 MET C . 16697 1 27 . 1 1 10 10 MET CA C 13 55.693 0.100 . 1 . . . . 49 MET CA . 16697 1 28 . 1 1 10 10 MET CB C 13 32.752 0.100 . 1 . . . . 49 MET CB . 16697 1 29 . 1 1 10 10 MET N N 15 121.491 0.100 . 1 . . . . 49 MET N . 16697 1 30 . 1 1 11 11 GLY H H 1 8.449 0.020 . 1 . . . . 50 GLY H . 16697 1 31 . 1 1 11 11 GLY C C 13 173.773 0.100 . 1 . . . . 50 GLY C . 16697 1 32 . 1 1 11 11 GLY CA C 13 45.338 0.100 . 1 . . . . 50 GLY CA . 16697 1 33 . 1 1 11 11 GLY N N 15 109.919 0.100 . 1 . . . . 50 GLY N . 16697 1 34 . 1 1 12 12 ARG H H 1 8.134 0.020 . 1 . . . . 51 ARG H . 16697 1 35 . 1 1 12 12 ARG C C 13 175.680 0.100 . 1 . . . . 51 ARG C . 16697 1 36 . 1 1 12 12 ARG CA C 13 55.671 0.100 . 1 . . . . 51 ARG CA . 16697 1 37 . 1 1 12 12 ARG CB C 13 31.084 0.100 . 1 . . . . 51 ARG CB . 16697 1 38 . 1 1 12 12 ARG N N 15 120.024 0.100 . 1 . . . . 51 ARG N . 16697 1 39 . 1 1 13 13 ASP H H 1 8.456 0.020 . 1 . . . . 52 ASP H . 16697 1 40 . 1 1 13 13 ASP C C 13 174.760 0.100 . 1 . . . . 52 ASP C . 16697 1 41 . 1 1 13 13 ASP CA C 13 52.381 0.100 . 1 . . . . 52 ASP CA . 16697 1 42 . 1 1 13 13 ASP CB C 13 41.127 0.100 . 1 . . . . 52 ASP CB . 16697 1 43 . 1 1 13 13 ASP N N 15 123.041 0.100 . 1 . . . . 52 ASP N . 16697 1 44 . 1 1 15 15 ASP H H 1 8.363 0.020 . 1 . . . . 54 ASP H . 16697 1 45 . 1 1 15 15 ASP C C 13 176.710 0.100 . 1 . . . . 54 ASP C . 16697 1 46 . 1 1 15 15 ASP CA C 13 54.955 0.100 . 1 . . . . 54 ASP CA . 16697 1 47 . 1 1 15 15 ASP CB C 13 41.069 0.100 . 1 . . . . 54 ASP CB . 16697 1 48 . 1 1 15 15 ASP N N 15 118.760 0.100 . 1 . . . . 54 ASP N . 16697 1 49 . 1 1 16 16 LYS H H 1 7.905 0.020 . 1 . . . . 55 LYS H . 16697 1 50 . 1 1 16 16 LYS C C 13 176.448 0.100 . 1 . . . . 55 LYS C . 16697 1 51 . 1 1 16 16 LYS CA C 13 56.774 0.100 . 1 . . . . 55 LYS CA . 16697 1 52 . 1 1 16 16 LYS CB C 13 32.747 0.100 . 1 . . . . 55 LYS CB . 16697 1 53 . 1 1 16 16 LYS N N 15 120.169 0.100 . 1 . . . . 55 LYS N . 16697 1 54 . 1 1 17 17 TRP H H 1 7.960 0.020 . 1 . . . . 56 TRP H . 16697 1 55 . 1 1 17 17 TRP C C 13 176.254 0.100 . 1 . . . . 56 TRP C . 16697 1 56 . 1 1 17 17 TRP CA C 13 57.394 0.100 . 1 . . . . 56 TRP CA . 16697 1 57 . 1 1 17 17 TRP CB C 13 29.228 0.100 . 1 . . . . 56 TRP CB . 16697 1 58 . 1 1 17 17 TRP N N 15 120.492 0.100 . 1 . . . . 56 TRP N . 16697 1 59 . 1 1 18 18 GLN H H 1 8.016 0.020 . 1 . . . . 57 GLN H . 16697 1 60 . 1 1 18 18 GLN C C 13 175.738 0.100 . 1 . . . . 57 GLN C . 16697 1 61 . 1 1 18 18 GLN CA C 13 56.224 0.100 . 1 . . . . 57 GLN CA . 16697 1 62 . 1 1 18 18 GLN CB C 13 29.065 0.100 . 1 . . . . 57 GLN CB . 16697 1 63 . 1 1 18 18 GLN N N 15 120.903 0.100 . 1 . . . . 57 GLN N . 16697 1 64 . 1 1 19 19 HIS H H 1 8.172 0.020 . 1 . . . . 58 HIS H . 16697 1 65 . 1 1 19 19 HIS C C 13 174.673 0.100 . 1 . . . . 58 HIS C . 16697 1 66 . 1 1 19 19 HIS CA C 13 56.173 0.100 . 1 . . . . 58 HIS CA . 16697 1 67 . 1 1 19 19 HIS CB C 13 29.579 0.100 . 1 . . . . 58 HIS CB . 16697 1 68 . 1 1 19 19 HIS N N 15 119.280 0.100 . 1 . . . . 58 HIS N . 16697 1 69 . 1 1 20 20 ASP H H 1 8.385 0.020 . 1 . . . . 59 ASP H . 16697 1 70 . 1 1 20 20 ASP C C 13 176.164 0.100 . 1 . . . . 59 ASP C . 16697 1 71 . 1 1 20 20 ASP CA C 13 54.659 0.100 . 1 . . . . 59 ASP CA . 16697 1 72 . 1 1 20 20 ASP CB C 13 41.078 0.100 . 1 . . . . 59 ASP CB . 16697 1 73 . 1 1 20 20 ASP N N 15 120.646 0.100 . 1 . . . . 59 ASP N . 16697 1 74 . 1 1 21 21 LEU H H 1 8.076 0.020 . 1 . . . . 60 LEU H . 16697 1 75 . 1 1 21 21 LEU C C 13 177.220 0.100 . 1 . . . . 60 LEU C . 16697 1 76 . 1 1 21 21 LEU CA C 13 55.581 0.100 . 1 . . . . 60 LEU CA . 16697 1 77 . 1 1 21 21 LEU CB C 13 42.228 0.100 . 1 . . . . 60 LEU CB . 16697 1 78 . 1 1 21 21 LEU N N 15 121.505 0.100 . 1 . . . . 60 LEU N . 16697 1 79 . 1 1 22 22 PHE H H 1 8.122 0.020 . 1 . . . . 61 PHE H . 16697 1 80 . 1 1 22 22 PHE C C 13 175.520 0.100 . 1 . . . . 61 PHE C . 16697 1 81 . 1 1 22 22 PHE CA C 13 57.792 0.100 . 1 . . . . 61 PHE CA . 16697 1 82 . 1 1 22 22 PHE CB C 13 39.437 0.100 . 1 . . . . 61 PHE CB . 16697 1 83 . 1 1 22 22 PHE N N 15 119.521 0.100 . 1 . . . . 61 PHE N . 16697 1 84 . 1 1 23 23 ASP H H 1 8.211 0.020 . 1 . . . . 62 ASP H . 16697 1 85 . 1 1 23 23 ASP C C 13 176.291 0.100 . 1 . . . . 62 ASP C . 16697 1 86 . 1 1 23 23 ASP CA C 13 54.206 0.100 . 1 . . . . 62 ASP CA . 16697 1 87 . 1 1 23 23 ASP CB C 13 41.444 0.100 . 1 . . . . 62 ASP CB . 16697 1 88 . 1 1 23 23 ASP N N 15 121.789 0.100 . 1 . . . . 62 ASP N . 16697 1 89 . 1 1 24 24 SER H H 1 8.338 0.020 . 1 . . . . 63 SER H . 16697 1 90 . 1 1 24 24 SER C C 13 175.360 0.100 . 1 . . . . 63 SER C . 16697 1 91 . 1 1 24 24 SER CA C 13 59.004 0.100 . 1 . . . . 63 SER CA . 16697 1 92 . 1 1 24 24 SER CB C 13 63.934 0.100 . 1 . . . . 63 SER CB . 16697 1 93 . 1 1 24 24 SER N N 15 116.885 0.100 . 1 . . . . 63 SER N . 16697 1 94 . 1 1 25 25 GLY H H 1 8.552 0.020 . 1 . . . . 64 GLY H . 16697 1 95 . 1 1 25 25 GLY C C 13 174.459 0.100 . 1 . . . . 64 GLY C . 16697 1 96 . 1 1 25 25 GLY CA C 13 45.575 0.100 . 1 . . . . 64 GLY CA . 16697 1 97 . 1 1 25 25 GLY N N 15 110.610 0.100 . 1 . . . . 64 GLY N . 16697 1 98 . 1 1 26 26 CYS H H 1 8.215 0.020 . 1 . . . . 65 CYS H . 16697 1 99 . 1 1 26 26 CYS C C 13 175.164 0.100 . 1 . . . . 65 CYS C . 16697 1 100 . 1 1 26 26 CYS CA C 13 58.609 0.100 . 1 . . . . 65 CYS CA . 16697 1 101 . 1 1 26 26 CYS CB C 13 28.061 0.100 . 1 . . . . 65 CYS CB . 16697 1 102 . 1 1 26 26 CYS N N 15 118.188 0.100 . 1 . . . . 65 CYS N . 16697 1 103 . 1 1 27 27 GLY H H 1 8.581 0.020 . 1 . . . . 66 GLY H . 16697 1 104 . 1 1 27 27 GLY C C 13 174.597 0.100 . 1 . . . . 66 GLY C . 16697 1 105 . 1 1 27 27 GLY CA C 13 45.472 0.100 . 1 . . . . 66 GLY CA . 16697 1 106 . 1 1 27 27 GLY N N 15 111.125 0.100 . 1 . . . . 66 GLY N . 16697 1 107 . 1 1 28 28 GLY H H 1 8.366 0.020 . 1 . . . . 67 GLY H . 16697 1 108 . 1 1 28 28 GLY C C 13 174.662 0.100 . 1 . . . . 67 GLY C . 16697 1 109 . 1 1 28 28 GLY CA C 13 45.390 0.100 . 1 . . . . 67 GLY CA . 16697 1 110 . 1 1 28 28 GLY N N 15 108.910 0.100 . 1 . . . . 67 GLY N . 16697 1 111 . 1 1 29 29 GLY H H 1 8.360 0.020 . 1 . . . . 68 GLY H . 16697 1 112 . 1 1 29 29 GLY C C 13 174.249 0.100 . 1 . . . . 68 GLY C . 16697 1 113 . 1 1 29 29 GLY CA C 13 45.269 0.100 . 1 . . . . 68 GLY CA . 16697 1 114 . 1 1 29 29 GLY N N 15 108.868 0.100 . 1 . . . . 68 GLY N . 16697 1 115 . 1 1 30 30 GLU H H 1 8.489 0.020 . 1 . . . . 69 GLU H . 16697 1 116 . 1 1 30 30 GLU C C 13 177.116 0.100 . 1 . . . . 69 GLU C . 16697 1 117 . 1 1 30 30 GLU CA C 13 56.858 0.100 . 1 . . . . 69 GLU CA . 16697 1 118 . 1 1 30 30 GLU CB C 13 29.687 0.100 . 1 . . . . 69 GLU CB . 16697 1 119 . 1 1 30 30 GLU N N 15 120.494 0.100 . 1 . . . . 69 GLU N . 16697 1 120 . 1 1 31 31 GLY H H 1 8.523 0.020 . 1 . . . . 70 GLY H . 16697 1 121 . 1 1 31 31 GLY C C 13 173.991 0.100 . 1 . . . . 70 GLY C . 16697 1 122 . 1 1 31 31 GLY CA C 13 45.408 0.100 . 1 . . . . 70 GLY CA . 16697 1 123 . 1 1 31 31 GLY N N 15 109.863 0.100 . 1 . . . . 70 GLY N . 16697 1 124 . 1 1 32 32 VAL H H 1 7.898 0.020 . 1 . . . . 71 VAL H . 16697 1 125 . 1 1 32 32 VAL C C 13 175.967 0.100 . 1 . . . . 71 VAL C . 16697 1 126 . 1 1 32 32 VAL CA C 13 62.056 0.100 . 1 . . . . 71 VAL CA . 16697 1 127 . 1 1 32 32 VAL CB C 13 32.876 0.100 . 1 . . . . 71 VAL CB . 16697 1 128 . 1 1 32 32 VAL N N 15 118.629 0.100 . 1 . . . . 71 VAL N . 16697 1 129 . 1 1 33 33 GLU H H 1 8.579 0.020 . 1 . . . . 72 GLU H . 16697 1 130 . 1 1 33 33 GLU C C 13 176.504 0.100 . 1 . . . . 72 GLU C . 16697 1 131 . 1 1 33 33 GLU CA C 13 56.426 0.100 . 1 . . . . 72 GLU CA . 16697 1 132 . 1 1 33 33 GLU CB C 13 30.427 0.100 . 1 . . . . 72 GLU CB . 16697 1 133 . 1 1 33 33 GLU N N 15 124.946 0.100 . 1 . . . . 72 GLU N . 16697 1 134 . 1 1 34 34 THR H H 1 8.297 0.020 . 1 . . . . 73 THR H . 16697 1 135 . 1 1 34 34 THR C C 13 175.587 0.100 . 1 . . . . 73 THR C . 16697 1 136 . 1 1 34 34 THR CA C 13 62.008 0.100 . 1 . . . . 73 THR CA . 16697 1 137 . 1 1 34 34 THR CB C 13 70.266 0.100 . 1 . . . . 73 THR CB . 16697 1 138 . 1 1 34 34 THR N N 15 115.517 0.100 . 1 . . . . 73 THR N . 16697 1 139 . 1 1 35 35 GLY H H 1 8.887 0.020 . 1 . . . . 74 GLY H . 16697 1 140 . 1 1 35 35 GLY C C 13 173.214 0.100 . 1 . . . . 74 GLY C . 16697 1 141 . 1 1 35 35 GLY CA C 13 45.624 0.100 . 1 . . . . 74 GLY CA . 16697 1 142 . 1 1 35 35 GLY N N 15 112.089 0.100 . 1 . . . . 74 GLY N . 16697 1 143 . 1 1 36 36 ALA H H 1 8.109 0.020 . 1 . . . . 75 ALA H . 16697 1 144 . 1 1 36 36 ALA C C 13 174.329 0.100 . 1 . . . . 75 ALA C . 16697 1 145 . 1 1 36 36 ALA CA C 13 51.770 0.100 . 1 . . . . 75 ALA CA . 16697 1 146 . 1 1 36 36 ALA CB C 13 22.624 0.100 . 1 . . . . 75 ALA CB . 16697 1 147 . 1 1 36 36 ALA N N 15 118.627 0.100 . 1 . . . . 75 ALA N . 16697 1 148 . 1 1 37 37 LYS H H 1 8.589 0.020 . 1 . . . . 76 LYS H . 16697 1 149 . 1 1 37 37 LYS C C 13 174.296 0.100 . 1 . . . . 76 LYS C . 16697 1 150 . 1 1 37 37 LYS CA C 13 55.128 0.100 . 1 . . . . 76 LYS CA . 16697 1 151 . 1 1 37 37 LYS CB C 13 34.823 0.100 . 1 . . . . 76 LYS CB . 16697 1 152 . 1 1 37 37 LYS N N 15 121.302 0.100 . 1 . . . . 76 LYS N . 16697 1 153 . 1 1 38 38 LEU H H 1 9.417 0.020 . 1 . . . . 77 LEU H . 16697 1 154 . 1 1 38 38 LEU C C 13 175.944 0.100 . 1 . . . . 77 LEU C . 16697 1 155 . 1 1 38 38 LEU CA C 13 52.593 0.100 . 1 . . . . 77 LEU CA . 16697 1 156 . 1 1 38 38 LEU CB C 13 43.764 0.100 . 1 . . . . 77 LEU CB . 16697 1 157 . 1 1 38 38 LEU N N 15 120.908 0.100 . 1 . . . . 77 LEU N . 16697 1 158 . 1 1 39 39 LEU H H 1 9.057 0.020 . 1 . . . . 78 LEU H . 16697 1 159 . 1 1 39 39 LEU C C 13 176.437 0.100 . 1 . . . . 78 LEU C . 16697 1 160 . 1 1 39 39 LEU CA C 13 54.016 0.100 . 1 . . . . 78 LEU CA . 16697 1 161 . 1 1 39 39 LEU CB C 13 43.333 0.100 . 1 . . . . 78 LEU CB . 16697 1 162 . 1 1 39 39 LEU N N 15 124.378 0.100 . 1 . . . . 78 LEU N . 16697 1 163 . 1 1 40 40 VAL H H 1 8.994 0.020 . 1 . . . . 79 VAL H . 16697 1 164 . 1 1 40 40 VAL C C 13 174.626 0.100 . 1 . . . . 79 VAL C . 16697 1 165 . 1 1 40 40 VAL CA C 13 60.849 0.100 . 1 . . . . 79 VAL CA . 16697 1 166 . 1 1 40 40 VAL CB C 13 32.986 0.100 . 1 . . . . 79 VAL CB . 16697 1 167 . 1 1 40 40 VAL N N 15 108.479 0.100 . 1 . . . . 79 VAL N . 16697 1 168 . 1 1 41 41 SER H H 1 9.564 0.020 . 1 . . . . 80 SER H . 16697 1 169 . 1 1 41 41 SER C C 13 173.107 0.100 . 1 . . . . 80 SER C . 16697 1 170 . 1 1 41 41 SER CA C 13 57.318 0.100 . 1 . . . . 80 SER CA . 16697 1 171 . 1 1 41 41 SER CB C 13 65.516 0.100 . 1 . . . . 80 SER CB . 16697 1 172 . 1 1 41 41 SER N N 15 121.116 0.100 . 1 . . . . 80 SER N . 16697 1 173 . 1 1 42 42 ASN H H 1 8.779 0.020 . 1 . . . . 81 ASN H . 16697 1 174 . 1 1 42 42 ASN C C 13 176.631 0.100 . 1 . . . . 81 ASN C . 16697 1 175 . 1 1 42 42 ASN CA C 13 53.971 0.100 . 1 . . . . 81 ASN CA . 16697 1 176 . 1 1 42 42 ASN CB C 13 39.349 0.100 . 1 . . . . 81 ASN CB . 16697 1 177 . 1 1 42 42 ASN N N 15 115.878 0.100 . 1 . . . . 81 ASN N . 16697 1 178 . 1 1 43 43 LEU H H 1 8.214 0.020 . 1 . . . . 82 LEU H . 16697 1 179 . 1 1 43 43 LEU C C 13 177.732 0.100 . 1 . . . . 82 LEU C . 16697 1 180 . 1 1 43 43 LEU CA C 13 53.869 0.100 . 1 . . . . 82 LEU CA . 16697 1 181 . 1 1 43 43 LEU CB C 13 42.902 0.100 . 1 . . . . 82 LEU CB . 16697 1 182 . 1 1 43 43 LEU N N 15 117.033 0.100 . 1 . . . . 82 LEU N . 16697 1 183 . 1 1 44 44 ASP H H 1 9.382 0.020 . 1 . . . . 83 ASP H . 16697 1 184 . 1 1 44 44 ASP C C 13 177.874 0.100 . 1 . . . . 83 ASP C . 16697 1 185 . 1 1 44 44 ASP CA C 13 54.615 0.100 . 1 . . . . 83 ASP CA . 16697 1 186 . 1 1 44 44 ASP CB C 13 43.349 0.100 . 1 . . . . 83 ASP CB . 16697 1 187 . 1 1 44 44 ASP N N 15 121.914 0.100 . 1 . . . . 83 ASP N . 16697 1 188 . 1 1 45 45 PHE H H 1 8.218 0.020 . 1 . . . . 84 PHE H . 16697 1 189 . 1 1 45 45 PHE C C 13 175.638 0.100 . 1 . . . . 84 PHE C . 16697 1 190 . 1 1 45 45 PHE CA C 13 59.414 0.100 . 1 . . . . 84 PHE CA . 16697 1 191 . 1 1 45 45 PHE CB C 13 38.010 0.100 . 1 . . . . 84 PHE CB . 16697 1 192 . 1 1 45 45 PHE N N 15 123.825 0.100 . 1 . . . . 84 PHE N . 16697 1 193 . 1 1 46 46 GLY H H 1 8.969 0.020 . 1 . . . . 85 GLY H . 16697 1 194 . 1 1 46 46 GLY C C 13 174.780 0.100 . 1 . . . . 85 GLY C . 16697 1 195 . 1 1 46 46 GLY CA C 13 44.928 0.100 . 1 . . . . 85 GLY CA . 16697 1 196 . 1 1 46 46 GLY N N 15 107.374 0.100 . 1 . . . . 85 GLY N . 16697 1 197 . 1 1 47 47 VAL H H 1 7.273 0.020 . 1 . . . . 86 VAL H . 16697 1 198 . 1 1 47 47 VAL C C 13 175.992 0.100 . 1 . . . . 86 VAL C . 16697 1 199 . 1 1 47 47 VAL CA C 13 64.112 0.100 . 1 . . . . 86 VAL CA . 16697 1 200 . 1 1 47 47 VAL CB C 13 31.293 0.100 . 1 . . . . 86 VAL CB . 16697 1 201 . 1 1 47 47 VAL N N 15 122.399 0.100 . 1 . . . . 86 VAL N . 16697 1 202 . 1 1 48 48 SER H H 1 9.468 0.020 . 1 . . . . 87 SER H . 16697 1 203 . 1 1 48 48 SER C C 13 175.111 0.100 . 1 . . . . 87 SER C . 16697 1 204 . 1 1 48 48 SER CA C 13 56.783 0.100 . 1 . . . . 87 SER CA . 16697 1 205 . 1 1 48 48 SER CB C 13 67.922 0.100 . 1 . . . . 87 SER CB . 16697 1 206 . 1 1 48 48 SER N N 15 126.228 0.100 . 1 . . . . 87 SER N . 16697 1 207 . 1 1 49 49 ASP H H 1 8.742 0.020 . 1 . . . . 88 ASP H . 16697 1 208 . 1 1 49 49 ASP C C 13 177.965 0.100 . 1 . . . . 88 ASP C . 16697 1 209 . 1 1 49 49 ASP CA C 13 58.221 0.100 . 1 . . . . 88 ASP CA . 16697 1 210 . 1 1 49 49 ASP CB C 13 40.332 0.100 . 1 . . . . 88 ASP CB . 16697 1 211 . 1 1 49 49 ASP N N 15 120.347 0.100 . 1 . . . . 88 ASP N . 16697 1 212 . 1 1 50 50 ALA H H 1 8.246 0.020 . 1 . . . . 89 ALA H . 16697 1 213 . 1 1 50 50 ALA C C 13 180.207 0.100 . 1 . . . . 89 ALA C . 16697 1 214 . 1 1 50 50 ALA CA C 13 55.075 0.100 . 1 . . . . 89 ALA CA . 16697 1 215 . 1 1 50 50 ALA CB C 13 18.231 0.100 . 1 . . . . 89 ALA CB . 16697 1 216 . 1 1 50 50 ALA N N 15 119.983 0.100 . 1 . . . . 89 ALA N . 16697 1 217 . 1 1 51 51 ASP H H 1 7.586 0.020 . 1 . . . . 90 ASP H . 16697 1 218 . 1 1 51 51 ASP C C 13 178.654 0.100 . 1 . . . . 90 ASP C . 16697 1 219 . 1 1 51 51 ASP CA C 13 57.276 0.100 . 1 . . . . 90 ASP CA . 16697 1 220 . 1 1 51 51 ASP CB C 13 41.498 0.100 . 1 . . . . 90 ASP CB . 16697 1 221 . 1 1 51 51 ASP N N 15 117.717 0.100 . 1 . . . . 90 ASP N . 16697 1 222 . 1 1 52 52 ILE H H 1 7.608 0.020 . 1 . . . . 91 ILE H . 16697 1 223 . 1 1 52 52 ILE C C 13 177.721 0.100 . 1 . . . . 91 ILE C . 16697 1 224 . 1 1 52 52 ILE CA C 13 61.742 0.100 . 1 . . . . 91 ILE CA . 16697 1 225 . 1 1 52 52 ILE CB C 13 36.154 0.100 . 1 . . . . 91 ILE CB . 16697 1 226 . 1 1 52 52 ILE N N 15 117.722 0.100 . 1 . . . . 91 ILE N . 16697 1 227 . 1 1 53 53 GLN H H 1 8.661 0.020 . 1 . . . . 92 GLN H . 16697 1 228 . 1 1 53 53 GLN C C 13 177.319 0.100 . 1 . . . . 92 GLN C . 16697 1 229 . 1 1 53 53 GLN CA C 13 59.870 0.100 . 1 . . . . 92 GLN CA . 16697 1 230 . 1 1 53 53 GLN CB C 13 27.675 0.100 . 1 . . . . 92 GLN CB . 16697 1 231 . 1 1 53 53 GLN N N 15 121.058 0.100 . 1 . . . . 92 GLN N . 16697 1 232 . 1 1 54 54 GLU H H 1 7.920 0.020 . 1 . . . . 93 GLU H . 16697 1 233 . 1 1 54 54 GLU C C 13 179.005 0.100 . 1 . . . . 93 GLU C . 16697 1 234 . 1 1 54 54 GLU CA C 13 59.004 0.100 . 1 . . . . 93 GLU CA . 16697 1 235 . 1 1 54 54 GLU CB C 13 29.415 0.100 . 1 . . . . 93 GLU CB . 16697 1 236 . 1 1 54 54 GLU N N 15 116.293 0.100 . 1 . . . . 93 GLU N . 16697 1 237 . 1 1 55 55 LEU H H 1 7.546 0.020 . 1 . . . . 94 LEU H . 16697 1 238 . 1 1 55 55 LEU C C 13 179.565 0.100 . 1 . . . . 94 LEU C . 16697 1 239 . 1 1 55 55 LEU CA C 13 57.444 0.100 . 1 . . . . 94 LEU CA . 16697 1 240 . 1 1 55 55 LEU CB C 13 43.059 0.100 . 1 . . . . 94 LEU CB . 16697 1 241 . 1 1 55 55 LEU N N 15 117.657 0.100 . 1 . . . . 94 LEU N . 16697 1 242 . 1 1 56 56 PHE H H 1 7.919 0.020 . 1 . . . . 95 PHE H . 16697 1 243 . 1 1 56 56 PHE C C 13 176.828 0.100 . 1 . . . . 95 PHE C . 16697 1 244 . 1 1 56 56 PHE CA C 13 61.514 0.100 . 1 . . . . 95 PHE CA . 16697 1 245 . 1 1 56 56 PHE CB C 13 39.798 0.100 . 1 . . . . 95 PHE CB . 16697 1 246 . 1 1 56 56 PHE N N 15 113.117 0.100 . 1 . . . . 95 PHE N . 16697 1 247 . 1 1 57 57 ALA H H 1 8.538 0.020 . 1 . . . . 96 ALA H . 16697 1 248 . 1 1 57 57 ALA C C 13 179.065 0.100 . 1 . . . . 96 ALA C . 16697 1 249 . 1 1 57 57 ALA CA C 13 54.824 0.100 . 1 . . . . 96 ALA CA . 16697 1 250 . 1 1 57 57 ALA CB C 13 18.112 0.100 . 1 . . . . 96 ALA CB . 16697 1 251 . 1 1 57 57 ALA N N 15 122.218 0.100 . 1 . . . . 96 ALA N . 16697 1 252 . 1 1 58 58 GLU H H 1 7.416 0.020 . 1 . . . . 97 GLU H . 16697 1 253 . 1 1 58 58 GLU C C 13 177.048 0.100 . 1 . . . . 97 GLU C . 16697 1 254 . 1 1 58 58 GLU CA C 13 57.749 0.100 . 1 . . . . 97 GLU CA . 16697 1 255 . 1 1 58 58 GLU CB C 13 29.584 0.100 . 1 . . . . 97 GLU CB . 16697 1 256 . 1 1 58 58 GLU N N 15 113.488 0.100 . 1 . . . . 97 GLU N . 16697 1 257 . 1 1 59 59 PHE H H 1 7.774 0.020 . 1 . . . . 98 PHE H . 16697 1 258 . 1 1 59 59 PHE C C 13 174.768 0.100 . 1 . . . . 98 PHE C . 16697 1 259 . 1 1 59 59 PHE CA C 13 59.865 0.100 . 1 . . . . 98 PHE CA . 16697 1 260 . 1 1 59 59 PHE CB C 13 39.995 0.100 . 1 . . . . 98 PHE CB . 16697 1 261 . 1 1 59 59 PHE N N 15 115.460 0.100 . 1 . . . . 98 PHE N . 16697 1 262 . 1 1 60 60 GLY H H 1 7.554 0.020 . 1 . . . . 99 GLY H . 16697 1 263 . 1 1 60 60 GLY C C 13 171.974 0.100 . 1 . . . . 99 GLY C . 16697 1 264 . 1 1 60 60 GLY CA C 13 44.862 0.100 . 1 . . . . 99 GLY CA . 16697 1 265 . 1 1 60 60 GLY N N 15 105.117 0.100 . 1 . . . . 99 GLY N . 16697 1 266 . 1 1 61 61 THR H H 1 8.223 0.020 . 1 . . . . 100 THR H . 16697 1 267 . 1 1 61 61 THR C C 13 175.071 0.100 . 1 . . . . 100 THR C . 16697 1 268 . 1 1 61 61 THR CA C 13 64.218 0.100 . 1 . . . . 100 THR CA . 16697 1 269 . 1 1 61 61 THR CB C 13 69.372 0.100 . 1 . . . . 100 THR CB . 16697 1 270 . 1 1 61 61 THR N N 15 112.861 0.100 . 1 . . . . 100 THR N . 16697 1 271 . 1 1 62 62 LEU H H 1 8.887 0.020 . 1 . . . . 101 LEU H . 16697 1 272 . 1 1 62 62 LEU C C 13 177.314 0.100 . 1 . . . . 101 LEU C . 16697 1 273 . 1 1 62 62 LEU CA C 13 53.780 0.100 . 1 . . . . 101 LEU CA . 16697 1 274 . 1 1 62 62 LEU CB C 13 42.958 0.100 . 1 . . . . 101 LEU CB . 16697 1 275 . 1 1 62 62 LEU N N 15 127.997 0.100 . 1 . . . . 101 LEU N . 16697 1 276 . 1 1 63 63 LYS H H 1 8.911 0.020 . 1 . . . . 102 LYS H . 16697 1 277 . 1 1 63 63 LYS C C 13 176.362 0.100 . 1 . . . . 102 LYS C . 16697 1 278 . 1 1 63 63 LYS CA C 13 56.523 0.100 . 1 . . . . 102 LYS CA . 16697 1 279 . 1 1 63 63 LYS CB C 13 32.943 0.100 . 1 . . . . 102 LYS CB . 16697 1 280 . 1 1 63 63 LYS N N 15 122.182 0.100 . 1 . . . . 102 LYS N . 16697 1 281 . 1 1 64 64 LYS H H 1 7.463 0.020 . 1 . . . . 103 LYS H . 16697 1 282 . 1 1 64 64 LYS C C 13 174.013 0.100 . 1 . . . . 103 LYS C . 16697 1 283 . 1 1 64 64 LYS CA C 13 56.679 0.100 . 1 . . . . 103 LYS CA . 16697 1 284 . 1 1 64 64 LYS CB C 13 35.560 0.100 . 1 . . . . 103 LYS CB . 16697 1 285 . 1 1 64 64 LYS N N 15 117.299 0.100 . 1 . . . . 103 LYS N . 16697 1 286 . 1 1 65 65 ALA H H 1 8.730 0.020 . 1 . . . . 104 ALA H . 16697 1 287 . 1 1 65 65 ALA C C 13 173.742 0.100 . 1 . . . . 104 ALA C . 16697 1 288 . 1 1 65 65 ALA CA C 13 52.118 0.100 . 1 . . . . 104 ALA CA . 16697 1 289 . 1 1 65 65 ALA CB C 13 19.980 0.100 . 1 . . . . 104 ALA CB . 16697 1 290 . 1 1 65 65 ALA N N 15 128.251 0.100 . 1 . . . . 104 ALA N . 16697 1 291 . 1 1 66 66 ALA H H 1 8.196 0.020 . 1 . . . . 105 ALA H . 16697 1 292 . 1 1 66 66 ALA C C 13 176.385 0.100 . 1 . . . . 105 ALA C . 16697 1 293 . 1 1 66 66 ALA CA C 13 51.296 0.100 . 1 . . . . 105 ALA CA . 16697 1 294 . 1 1 66 66 ALA CB C 13 22.356 0.100 . 1 . . . . 105 ALA CB . 16697 1 295 . 1 1 66 66 ALA N N 15 123.790 0.100 . 1 . . . . 105 ALA N . 16697 1 296 . 1 1 67 67 VAL H H 1 9.295 0.020 . 1 . . . . 106 VAL H . 16697 1 297 . 1 1 67 67 VAL C C 13 175.005 0.100 . 1 . . . . 106 VAL C . 16697 1 298 . 1 1 67 67 VAL CA C 13 62.673 0.100 . 1 . . . . 106 VAL CA . 16697 1 299 . 1 1 67 67 VAL CB C 13 32.835 0.100 . 1 . . . . 106 VAL CB . 16697 1 300 . 1 1 67 67 VAL N N 15 128.131 0.100 . 1 . . . . 106 VAL N . 16697 1 301 . 1 1 68 68 ASP H H 1 8.500 0.020 . 1 . . . . 107 ASP H . 16697 1 302 . 1 1 68 68 ASP C C 13 173.283 0.100 . 1 . . . . 107 ASP C . 16697 1 303 . 1 1 68 68 ASP CA C 13 54.321 0.100 . 1 . . . . 107 ASP CA . 16697 1 304 . 1 1 68 68 ASP CB C 13 41.807 0.100 . 1 . . . . 107 ASP CB . 16697 1 305 . 1 1 68 68 ASP N N 15 125.417 0.100 . 1 . . . . 107 ASP N . 16697 1 306 . 1 1 69 69 TYR H H 1 8.428 0.020 . 1 . . . . 108 TYR H . 16697 1 307 . 1 1 69 69 TYR C C 13 176.832 0.100 . 1 . . . . 108 TYR C . 16697 1 308 . 1 1 69 69 TYR CA C 13 57.132 0.100 . 1 . . . . 108 TYR CA . 16697 1 309 . 1 1 69 69 TYR CB C 13 42.516 0.100 . 1 . . . . 108 TYR CB . 16697 1 310 . 1 1 69 69 TYR N N 15 120.382 0.100 . 1 . . . . 108 TYR N . 16697 1 311 . 1 1 70 70 ASP H H 1 9.047 0.020 . 1 . . . . 109 ASP H . 16697 1 312 . 1 1 70 70 ASP C C 13 178.362 0.100 . 1 . . . . 109 ASP C . 16697 1 313 . 1 1 70 70 ASP CA C 13 52.313 0.100 . 1 . . . . 109 ASP CA . 16697 1 314 . 1 1 70 70 ASP CB C 13 42.516 0.100 . 1 . . . . 109 ASP CB . 16697 1 315 . 1 1 70 70 ASP N N 15 121.165 0.100 . 1 . . . . 109 ASP N . 16697 1 316 . 1 1 71 71 ARG H H 1 8.508 0.020 . 1 . . . . 110 ARG H . 16697 1 317 . 1 1 71 71 ARG C C 13 177.343 0.100 . 1 . . . . 110 ARG C . 16697 1 318 . 1 1 71 71 ARG CA C 13 58.475 0.100 . 1 . . . . 110 ARG CA . 16697 1 319 . 1 1 71 71 ARG CB C 13 29.579 0.100 . 1 . . . . 110 ARG CB . 16697 1 320 . 1 1 71 71 ARG N N 15 117.605 0.100 . 1 . . . . 110 ARG N . 16697 1 321 . 1 1 72 72 SER H H 1 8.450 0.020 . 1 . . . . 111 SER H . 16697 1 322 . 1 1 72 72 SER C C 13 174.513 0.100 . 1 . . . . 111 SER C . 16697 1 323 . 1 1 72 72 SER CA C 13 58.430 0.100 . 1 . . . . 111 SER CA . 16697 1 324 . 1 1 72 72 SER CB C 13 64.167 0.100 . 1 . . . . 111 SER CB . 16697 1 325 . 1 1 72 72 SER N N 15 115.545 0.100 . 1 . . . . 111 SER N . 16697 1 326 . 1 1 73 73 GLY H H 1 8.263 0.020 . 1 . . . . 112 GLY H . 16697 1 327 . 1 1 73 73 GLY C C 13 173.592 0.100 . 1 . . . . 112 GLY C . 16697 1 328 . 1 1 73 73 GLY CA C 13 45.435 0.100 . 1 . . . . 112 GLY CA . 16697 1 329 . 1 1 73 73 GLY N N 15 109.788 0.100 . 1 . . . . 112 GLY N . 16697 1 330 . 1 1 74 74 ARG H H 1 8.311 0.020 . 1 . . . . 113 ARG H . 16697 1 331 . 1 1 74 74 ARG C C 13 176.220 0.100 . 1 . . . . 113 ARG C . 16697 1 332 . 1 1 74 74 ARG CA C 13 55.246 0.100 . 1 . . . . 113 ARG CA . 16697 1 333 . 1 1 74 74 ARG CB C 13 30.807 0.100 . 1 . . . . 113 ARG CB . 16697 1 334 . 1 1 74 74 ARG N N 15 122.277 0.100 . 1 . . . . 113 ARG N . 16697 1 335 . 1 1 75 75 SER H H 1 8.856 0.020 . 1 . . . . 114 SER H . 16697 1 336 . 1 1 75 75 SER C C 13 175.950 0.100 . 1 . . . . 114 SER C . 16697 1 337 . 1 1 75 75 SER CA C 13 58.162 0.100 . 1 . . . . 114 SER CA . 16697 1 338 . 1 1 75 75 SER CB C 13 64.007 0.100 . 1 . . . . 114 SER CB . 16697 1 339 . 1 1 75 75 SER N N 15 118.626 0.100 . 1 . . . . 114 SER N . 16697 1 340 . 1 1 76 76 LEU H H 1 8.796 0.020 . 1 . . . . 115 LEU H . 16697 1 341 . 1 1 76 76 LEU C C 13 178.838 0.100 . 1 . . . . 115 LEU C . 16697 1 342 . 1 1 76 76 LEU CA C 13 54.885 0.100 . 1 . . . . 115 LEU CA . 16697 1 343 . 1 1 76 76 LEU CB C 13 42.244 0.100 . 1 . . . . 115 LEU CB . 16697 1 344 . 1 1 76 76 LEU N N 15 125.280 0.100 . 1 . . . . 115 LEU N . 16697 1 345 . 1 1 77 77 GLY H H 1 9.635 0.020 . 1 . . . . 116 GLY H . 16697 1 346 . 1 1 77 77 GLY C C 13 172.171 0.100 . 1 . . . . 116 GLY C . 16697 1 347 . 1 1 77 77 GLY CA C 13 46.025 0.100 . 1 . . . . 116 GLY CA . 16697 1 348 . 1 1 77 77 GLY N N 15 109.496 0.100 . 1 . . . . 116 GLY N . 16697 1 349 . 1 1 78 78 THR H H 1 7.081 0.020 . 1 . . . . 117 THR H . 16697 1 350 . 1 1 78 78 THR C C 13 172.491 0.100 . 1 . . . . 117 THR C . 16697 1 351 . 1 1 78 78 THR CA C 13 58.464 0.100 . 1 . . . . 117 THR CA . 16697 1 352 . 1 1 78 78 THR CB C 13 72.247 0.100 . 1 . . . . 117 THR CB . 16697 1 353 . 1 1 78 78 THR N N 15 106.729 0.100 . 1 . . . . 117 THR N . 16697 1 354 . 1 1 79 79 ALA H H 1 9.199 0.020 . 1 . . . . 118 ALA H . 16697 1 355 . 1 1 79 79 ALA C C 13 174.451 0.100 . 1 . . . . 118 ALA C . 16697 1 356 . 1 1 79 79 ALA CA C 13 50.892 0.100 . 1 . . . . 118 ALA CA . 16697 1 357 . 1 1 79 79 ALA CB C 13 23.203 0.100 . 1 . . . . 118 ALA CB . 16697 1 358 . 1 1 79 79 ALA N N 15 119.409 0.100 . 1 . . . . 118 ALA N . 16697 1 359 . 1 1 80 80 ASP H H 1 8.249 0.020 . 1 . . . . 119 ASP H . 16697 1 360 . 1 1 80 80 ASP C C 13 175.185 0.100 . 1 . . . . 119 ASP C . 16697 1 361 . 1 1 80 80 ASP CA C 13 52.813 0.100 . 1 . . . . 119 ASP CA . 16697 1 362 . 1 1 80 80 ASP CB C 13 43.391 0.100 . 1 . . . . 119 ASP CB . 16697 1 363 . 1 1 80 80 ASP N N 15 121.383 0.100 . 1 . . . . 119 ASP N . 16697 1 364 . 1 1 81 81 VAL H H 1 8.260 0.020 . 1 . . . . 120 VAL H . 16697 1 365 . 1 1 81 81 VAL C C 13 173.904 0.100 . 1 . . . . 120 VAL C . 16697 1 366 . 1 1 81 81 VAL CA C 13 61.156 0.100 . 1 . . . . 120 VAL CA . 16697 1 367 . 1 1 81 81 VAL CB C 13 33.816 0.100 . 1 . . . . 120 VAL CB . 16697 1 368 . 1 1 81 81 VAL N N 15 123.022 0.100 . 1 . . . . 120 VAL N . 16697 1 369 . 1 1 82 82 HIS H H 1 9.244 0.020 . 1 . . . . 121 HIS H . 16697 1 370 . 1 1 82 82 HIS C C 13 174.903 0.100 . 1 . . . . 121 HIS C . 16697 1 371 . 1 1 82 82 HIS CA C 13 53.413 0.100 . 1 . . . . 121 HIS CA . 16697 1 372 . 1 1 82 82 HIS CB C 13 34.354 0.100 . 1 . . . . 121 HIS CB . 16697 1 373 . 1 1 82 82 HIS N N 15 127.297 0.100 . 1 . . . . 121 HIS N . 16697 1 374 . 1 1 83 83 PHE H H 1 9.287 0.020 . 1 . . . . 122 PHE H . 16697 1 375 . 1 1 83 83 PHE C C 13 175.563 0.100 . 1 . . . . 122 PHE C . 16697 1 376 . 1 1 83 83 PHE CA C 13 58.275 0.100 . 1 . . . . 122 PHE CA . 16697 1 377 . 1 1 83 83 PHE CB C 13 41.397 0.100 . 1 . . . . 122 PHE CB . 16697 1 378 . 1 1 83 83 PHE N N 15 125.247 0.100 . 1 . . . . 122 PHE N . 16697 1 379 . 1 1 84 84 GLU H H 1 8.208 0.020 . 1 . . . . 123 GLU H . 16697 1 380 . 1 1 84 84 GLU C C 13 176.438 0.100 . 1 . . . . 123 GLU C . 16697 1 381 . 1 1 84 84 GLU CA C 13 59.345 0.100 . 1 . . . . 123 GLU CA . 16697 1 382 . 1 1 84 84 GLU CB C 13 30.394 0.100 . 1 . . . . 123 GLU CB . 16697 1 383 . 1 1 84 84 GLU N N 15 120.670 0.100 . 1 . . . . 123 GLU N . 16697 1 384 . 1 1 85 85 ARG H H 1 9.294 0.020 . 1 . . . . 124 ARG H . 16697 1 385 . 1 1 85 85 ARG C C 13 176.891 0.100 . 1 . . . . 124 ARG C . 16697 1 386 . 1 1 85 85 ARG CA C 13 54.148 0.100 . 1 . . . . 124 ARG CA . 16697 1 387 . 1 1 85 85 ARG CB C 13 31.470 0.100 . 1 . . . . 124 ARG CB . 16697 1 388 . 1 1 85 85 ARG N N 15 115.146 0.100 . 1 . . . . 124 ARG N . 16697 1 389 . 1 1 86 86 ARG H H 1 9.384 0.020 . 1 . . . . 125 ARG H . 16697 1 390 . 1 1 86 86 ARG C C 13 177.298 0.100 . 1 . . . . 125 ARG C . 16697 1 391 . 1 1 86 86 ARG CA C 13 59.876 0.100 . 1 . . . . 125 ARG CA . 16697 1 392 . 1 1 86 86 ARG CB C 13 29.720 0.100 . 1 . . . . 125 ARG CB . 16697 1 393 . 1 1 86 86 ARG N N 15 127.443 0.100 . 1 . . . . 125 ARG N . 16697 1 394 . 1 1 87 87 ALA H H 1 9.182 0.020 . 1 . . . . 126 ALA H . 16697 1 395 . 1 1 87 87 ALA C C 13 180.004 0.100 . 1 . . . . 126 ALA C . 16697 1 396 . 1 1 87 87 ALA CA C 13 55.266 0.100 . 1 . . . . 126 ALA CA . 16697 1 397 . 1 1 87 87 ALA CB C 13 18.546 0.100 . 1 . . . . 126 ALA CB . 16697 1 398 . 1 1 87 87 ALA N N 15 118.438 0.100 . 1 . . . . 126 ALA N . 16697 1 399 . 1 1 88 88 ASP H H 1 6.787 0.020 . 1 . . . . 127 ASP H . 16697 1 400 . 1 1 88 88 ASP C C 13 176.296 0.100 . 1 . . . . 127 ASP C . 16697 1 401 . 1 1 88 88 ASP CA C 13 56.718 0.100 . 1 . . . . 127 ASP CA . 16697 1 402 . 1 1 88 88 ASP CB C 13 40.453 0.100 . 1 . . . . 127 ASP CB . 16697 1 403 . 1 1 88 88 ASP N N 15 117.791 0.100 . 1 . . . . 127 ASP N . 16697 1 404 . 1 1 89 89 ALA H H 1 6.728 0.020 . 1 . . . . 128 ALA H . 16697 1 405 . 1 1 89 89 ALA C C 13 179.043 0.100 . 1 . . . . 128 ALA C . 16697 1 406 . 1 1 89 89 ALA CA C 13 54.073 0.100 . 1 . . . . 128 ALA CA . 16697 1 407 . 1 1 89 89 ALA CB C 13 18.726 0.100 . 1 . . . . 128 ALA CB . 16697 1 408 . 1 1 89 89 ALA N N 15 121.491 0.100 . 1 . . . . 128 ALA N . 16697 1 409 . 1 1 90 90 LEU H H 1 7.882 0.020 . 1 . . . . 129 LEU H . 16697 1 410 . 1 1 90 90 LEU C C 13 179.629 0.100 . 1 . . . . 129 LEU C . 16697 1 411 . 1 1 90 90 LEU CA C 13 57.917 0.100 . 1 . . . . 129 LEU CA . 16697 1 412 . 1 1 90 90 LEU CB C 13 41.248 0.100 . 1 . . . . 129 LEU CB . 16697 1 413 . 1 1 90 90 LEU N N 15 115.858 0.100 . 1 . . . . 129 LEU N . 16697 1 414 . 1 1 91 91 LYS H H 1 7.351 0.020 . 1 . . . . 130 LYS H . 16697 1 415 . 1 1 91 91 LYS C C 13 178.292 0.100 . 1 . . . . 130 LYS C . 16697 1 416 . 1 1 91 91 LYS CA C 13 59.660 0.100 . 1 . . . . 130 LYS CA . 16697 1 417 . 1 1 91 91 LYS CB C 13 32.516 0.100 . 1 . . . . 130 LYS CB . 16697 1 418 . 1 1 91 91 LYS N N 15 119.974 0.100 . 1 . . . . 130 LYS N . 16697 1 419 . 1 1 92 92 ALA H H 1 7.595 0.020 . 1 . . . . 131 ALA H . 16697 1 420 . 1 1 92 92 ALA C C 13 178.791 0.100 . 1 . . . . 131 ALA C . 16697 1 421 . 1 1 92 92 ALA CA C 13 54.444 0.100 . 1 . . . . 131 ALA CA . 16697 1 422 . 1 1 92 92 ALA CB C 13 19.604 0.100 . 1 . . . . 131 ALA CB . 16697 1 423 . 1 1 92 92 ALA N N 15 122.170 0.100 . 1 . . . . 131 ALA N . 16697 1 424 . 1 1 93 93 MET H H 1 8.155 0.020 . 1 . . . . 132 MET H . 16697 1 425 . 1 1 93 93 MET C C 13 177.028 0.100 . 1 . . . . 132 MET C . 16697 1 426 . 1 1 93 93 MET CA C 13 59.551 0.100 . 1 . . . . 132 MET CA . 16697 1 427 . 1 1 93 93 MET CB C 13 33.139 0.100 . 1 . . . . 132 MET CB . 16697 1 428 . 1 1 93 93 MET N N 15 115.989 0.100 . 1 . . . . 132 MET N . 16697 1 429 . 1 1 94 94 LYS H H 1 7.804 0.020 . 1 . . . . 133 LYS H . 16697 1 430 . 1 1 94 94 LYS C C 13 178.574 0.100 . 1 . . . . 133 LYS C . 16697 1 431 . 1 1 94 94 LYS CA C 13 58.855 0.100 . 1 . . . . 133 LYS CA . 16697 1 432 . 1 1 94 94 LYS CB C 13 32.120 0.100 . 1 . . . . 133 LYS CB . 16697 1 433 . 1 1 94 94 LYS N N 15 117.283 0.100 . 1 . . . . 133 LYS N . 16697 1 434 . 1 1 95 95 GLN H H 1 7.591 0.020 . 1 . . . . 134 GLN H . 16697 1 435 . 1 1 95 95 GLN C C 13 177.375 0.100 . 1 . . . . 134 GLN C . 16697 1 436 . 1 1 95 95 GLN CA C 13 58.050 0.100 . 1 . . . . 134 GLN CA . 16697 1 437 . 1 1 95 95 GLN CB C 13 28.543 0.100 . 1 . . . . 134 GLN CB . 16697 1 438 . 1 1 95 95 GLN N N 15 116.277 0.100 . 1 . . . . 134 GLN N . 16697 1 439 . 1 1 96 96 TYR H H 1 7.632 0.020 . 1 . . . . 135 TYR H . 16697 1 440 . 1 1 96 96 TYR C C 13 176.546 0.100 . 1 . . . . 135 TYR C . 16697 1 441 . 1 1 96 96 TYR CA C 13 58.678 0.100 . 1 . . . . 135 TYR CA . 16697 1 442 . 1 1 96 96 TYR CB C 13 40.102 0.100 . 1 . . . . 135 TYR CB . 16697 1 443 . 1 1 96 96 TYR N N 15 112.378 0.100 . 1 . . . . 135 TYR N . 16697 1 444 . 1 1 97 97 LYS H H 1 8.336 0.020 . 1 . . . . 136 LYS H . 16697 1 445 . 1 1 97 97 LYS C C 13 177.839 0.100 . 1 . . . . 136 LYS C . 16697 1 446 . 1 1 97 97 LYS CA C 13 60.217 0.100 . 1 . . . . 136 LYS CA . 16697 1 447 . 1 1 97 97 LYS CB C 13 32.320 0.100 . 1 . . . . 136 LYS CB . 16697 1 448 . 1 1 97 97 LYS N N 15 122.409 0.100 . 1 . . . . 136 LYS N . 16697 1 449 . 1 1 98 98 GLY H H 1 9.191 0.020 . 1 . . . . 137 GLY H . 16697 1 450 . 1 1 98 98 GLY C C 13 173.530 0.100 . 1 . . . . 137 GLY C . 16697 1 451 . 1 1 98 98 GLY CA C 13 45.801 0.100 . 1 . . . . 137 GLY CA . 16697 1 452 . 1 1 98 98 GLY N N 15 116.555 0.100 . 1 . . . . 137 GLY N . 16697 1 453 . 1 1 99 99 VAL H H 1 8.168 0.020 . 1 . . . . 138 VAL H . 16697 1 454 . 1 1 99 99 VAL C C 13 175.001 0.100 . 1 . . . . 138 VAL C . 16697 1 455 . 1 1 99 99 VAL CA C 13 60.741 0.100 . 1 . . . . 138 VAL CA . 16697 1 456 . 1 1 99 99 VAL CB C 13 32.793 0.100 . 1 . . . . 138 VAL CB . 16697 1 457 . 1 1 99 99 VAL N N 15 124.246 0.100 . 1 . . . . 138 VAL N . 16697 1 458 . 1 1 101 101 LEU H H 1 8.145 0.020 . 1 . . . . 140 LEU H . 16697 1 459 . 1 1 101 101 LEU C C 13 176.619 0.100 . 1 . . . . 140 LEU C . 16697 1 460 . 1 1 101 101 LEU CA C 13 54.244 0.100 . 1 . . . . 140 LEU CA . 16697 1 461 . 1 1 101 101 LEU CB C 13 42.962 0.100 . 1 . . . . 140 LEU CB . 16697 1 462 . 1 1 101 101 LEU N N 15 126.023 0.100 . 1 . . . . 140 LEU N . 16697 1 463 . 1 1 102 102 ASP H H 1 9.535 0.020 . 1 . . . . 141 ASP H . 16697 1 464 . 1 1 102 102 ASP C C 13 175.866 0.100 . 1 . . . . 141 ASP C . 16697 1 465 . 1 1 102 102 ASP CA C 13 55.327 0.100 . 1 . . . . 141 ASP CA . 16697 1 466 . 1 1 102 102 ASP CB C 13 39.029 0.100 . 1 . . . . 141 ASP CB . 16697 1 467 . 1 1 102 102 ASP N N 15 128.920 0.100 . 1 . . . . 141 ASP N . 16697 1 468 . 1 1 103 103 GLY H H 1 8.376 0.020 . 1 . . . . 142 GLY H . 16697 1 469 . 1 1 103 103 GLY C C 13 174.150 0.100 . 1 . . . . 142 GLY C . 16697 1 470 . 1 1 103 103 GLY CA C 13 45.300 0.100 . 1 . . . . 142 GLY CA . 16697 1 471 . 1 1 103 103 GLY N N 15 101.273 0.100 . 1 . . . . 142 GLY N . 16697 1 472 . 1 1 104 104 ARG H H 1 7.600 0.020 . 1 . . . . 143 ARG H . 16697 1 473 . 1 1 104 104 ARG C C 13 174.907 0.100 . 1 . . . . 143 ARG C . 16697 1 474 . 1 1 104 104 ARG CA C 13 53.011 0.100 . 1 . . . . 143 ARG CA . 16697 1 475 . 1 1 104 104 ARG CB C 13 32.088 0.100 . 1 . . . . 143 ARG CB . 16697 1 476 . 1 1 104 104 ARG N N 15 120.772 0.100 . 1 . . . . 143 ARG N . 16697 1 477 . 1 1 106 106 MET H H 1 8.302 0.020 . 1 . . . . 145 MET H . 16697 1 478 . 1 1 106 106 MET C C 13 176.058 0.100 . 1 . . . . 145 MET C . 16697 1 479 . 1 1 106 106 MET CA C 13 57.611 0.100 . 1 . . . . 145 MET CA . 16697 1 480 . 1 1 106 106 MET CB C 13 35.279 0.100 . 1 . . . . 145 MET CB . 16697 1 481 . 1 1 106 106 MET N N 15 126.591 0.100 . 1 . . . . 145 MET N . 16697 1 482 . 1 1 107 107 ASP H H 1 8.131 0.020 . 1 . . . . 146 ASP H . 16697 1 483 . 1 1 107 107 ASP C C 13 175.538 0.100 . 1 . . . . 146 ASP C . 16697 1 484 . 1 1 107 107 ASP CA C 13 53.070 0.100 . 1 . . . . 146 ASP CA . 16697 1 485 . 1 1 107 107 ASP CB C 13 42.147 0.100 . 1 . . . . 146 ASP CB . 16697 1 486 . 1 1 107 107 ASP N N 15 125.245 0.100 . 1 . . . . 146 ASP N . 16697 1 487 . 1 1 108 108 ILE H H 1 7.768 0.020 . 1 . . . . 147 ILE H . 16697 1 488 . 1 1 108 108 ILE C C 13 173.632 0.100 . 1 . . . . 147 ILE C . 16697 1 489 . 1 1 108 108 ILE CA C 13 60.858 0.100 . 1 . . . . 147 ILE CA . 16697 1 490 . 1 1 108 108 ILE CB C 13 42.876 0.100 . 1 . . . . 147 ILE CB . 16697 1 491 . 1 1 108 108 ILE N N 15 121.322 0.100 . 1 . . . . 147 ILE N . 16697 1 492 . 1 1 109 109 GLN H H 1 8.559 0.020 . 1 . . . . 148 GLN H . 16697 1 493 . 1 1 109 109 GLN C C 13 173.744 0.100 . 1 . . . . 148 GLN C . 16697 1 494 . 1 1 109 109 GLN CA C 13 53.744 0.100 . 1 . . . . 148 GLN CA . 16697 1 495 . 1 1 109 109 GLN CB C 13 32.728 0.100 . 1 . . . . 148 GLN CB . 16697 1 496 . 1 1 109 109 GLN N N 15 124.202 0.100 . 1 . . . . 148 GLN N . 16697 1 497 . 1 1 110 110 LEU H H 1 8.666 0.020 . 1 . . . . 149 LEU H . 16697 1 498 . 1 1 110 110 LEU C C 13 176.642 0.100 . 1 . . . . 149 LEU C . 16697 1 499 . 1 1 110 110 LEU CA C 13 54.912 0.100 . 1 . . . . 149 LEU CA . 16697 1 500 . 1 1 110 110 LEU CB C 13 43.177 0.100 . 1 . . . . 149 LEU CB . 16697 1 501 . 1 1 110 110 LEU N N 15 125.936 0.100 . 1 . . . . 149 LEU N . 16697 1 502 . 1 1 111 111 VAL H H 1 8.684 0.020 . 1 . . . . 150 VAL H . 16697 1 503 . 1 1 111 111 VAL C C 13 175.167 0.100 . 1 . . . . 150 VAL C . 16697 1 504 . 1 1 111 111 VAL CA C 13 62.375 0.100 . 1 . . . . 150 VAL CA . 16697 1 505 . 1 1 111 111 VAL CB C 13 32.814 0.100 . 1 . . . . 150 VAL CB . 16697 1 506 . 1 1 111 111 VAL N N 15 126.888 0.100 . 1 . . . . 150 VAL N . 16697 1 507 . 1 1 112 112 ALA H H 1 8.532 0.020 . 1 . . . . 151 ALA H . 16697 1 508 . 1 1 112 112 ALA C C 13 177.179 0.100 . 1 . . . . 151 ALA C . 16697 1 509 . 1 1 112 112 ALA CA C 13 52.183 0.100 . 1 . . . . 151 ALA CA . 16697 1 510 . 1 1 112 112 ALA CB C 13 19.632 0.100 . 1 . . . . 151 ALA CB . 16697 1 511 . 1 1 112 112 ALA N N 15 128.953 0.100 . 1 . . . . 151 ALA N . 16697 1 512 . 1 1 113 113 SER H H 1 8.386 0.020 . 1 . . . . 152 SER H . 16697 1 513 . 1 1 113 113 SER C C 13 174.361 0.100 . 1 . . . . 152 SER C . 16697 1 514 . 1 1 113 113 SER CA C 13 58.380 0.100 . 1 . . . . 152 SER CA . 16697 1 515 . 1 1 113 113 SER CB C 13 64.087 0.100 . 1 . . . . 152 SER CB . 16697 1 516 . 1 1 113 113 SER N N 15 115.652 0.100 . 1 . . . . 152 SER N . 16697 1 517 . 1 1 114 114 GLN H H 1 8.538 0.020 . 1 . . . . 153 GLN H . 16697 1 518 . 1 1 114 114 GLN C C 13 175.953 0.100 . 1 . . . . 153 GLN C . 16697 1 519 . 1 1 114 114 GLN CA C 13 56.207 0.100 . 1 . . . . 153 GLN CA . 16697 1 520 . 1 1 114 114 GLN CB C 13 29.314 0.100 . 1 . . . . 153 GLN CB . 16697 1 521 . 1 1 114 114 GLN N N 15 122.218 0.100 . 1 . . . . 153 GLN N . 16697 1 522 . 1 1 115 115 ILE H H 1 8.125 0.020 . 1 . . . . 154 ILE H . 16697 1 523 . 1 1 115 115 ILE C C 13 175.694 0.100 . 1 . . . . 154 ILE C . 16697 1 524 . 1 1 115 115 ILE CA C 13 61.506 0.100 . 1 . . . . 154 ILE CA . 16697 1 525 . 1 1 115 115 ILE CB C 13 38.795 0.100 . 1 . . . . 154 ILE CB . 16697 1 526 . 1 1 115 115 ILE N N 15 121.004 0.100 . 1 . . . . 154 ILE N . 16697 1 527 . 1 1 116 116 ASP H H 1 8.326 0.020 . 1 . . . . 155 ASP H . 16697 1 528 . 1 1 116 116 ASP C C 13 176.358 0.100 . 1 . . . . 155 ASP C . 16697 1 529 . 1 1 116 116 ASP CA C 13 54.305 0.100 . 1 . . . . 155 ASP CA . 16697 1 530 . 1 1 116 116 ASP CB C 13 41.119 0.100 . 1 . . . . 155 ASP CB . 16697 1 531 . 1 1 116 116 ASP N N 15 123.705 0.100 . 1 . . . . 155 ASP N . 16697 1 532 . 1 1 117 117 LEU H H 1 8.203 0.020 . 1 . . . . 156 LEU H . 16697 1 533 . 1 1 117 117 LEU C C 13 177.729 0.100 . 1 . . . . 156 LEU C . 16697 1 534 . 1 1 117 117 LEU CA C 13 55.694 0.100 . 1 . . . . 156 LEU CA . 16697 1 535 . 1 1 117 117 LEU CB C 13 42.282 0.100 . 1 . . . . 156 LEU CB . 16697 1 536 . 1 1 117 117 LEU N N 15 122.729 0.100 . 1 . . . . 156 LEU N . 16697 1 537 . 1 1 118 118 GLU H H 1 8.241 0.020 . 1 . . . . 157 GLU H . 16697 1 538 . 1 1 118 118 GLU C C 13 176.487 0.100 . 1 . . . . 157 GLU C . 16697 1 539 . 1 1 118 118 GLU CA C 13 56.981 0.100 . 1 . . . . 157 GLU CA . 16697 1 540 . 1 1 118 118 GLU CB C 13 29.928 0.100 . 1 . . . . 157 GLU CB . 16697 1 541 . 1 1 118 118 GLU N N 15 119.614 0.100 . 1 . . . . 157 GLU N . 16697 1 542 . 1 1 119 119 HIS H H 1 8.168 0.020 . 1 . . . . 158 HIS H . 16697 1 543 . 1 1 119 119 HIS C C 13 174.706 0.100 . 1 . . . . 158 HIS C . 16697 1 544 . 1 1 119 119 HIS CA C 13 55.889 0.100 . 1 . . . . 158 HIS CA . 16697 1 545 . 1 1 119 119 HIS CB C 13 29.546 0.100 . 1 . . . . 158 HIS CB . 16697 1 546 . 1 1 119 119 HIS N N 15 118.274 0.100 . 1 . . . . 158 HIS N . 16697 1 547 . 1 1 124 124 HIS H H 1 8.231 0.020 . 1 . . . . 163 HIS H . 16697 1 548 . 1 1 124 124 HIS C C 13 179.019 0.100 . 1 . . . . 163 HIS C . 16697 1 549 . 1 1 124 124 HIS CA C 13 57.257 0.100 . 1 . . . . 163 HIS CA . 16697 1 550 . 1 1 124 124 HIS CB C 13 30.173 0.100 . 1 . . . . 163 HIS CB . 16697 1 551 . 1 1 124 124 HIS N N 15 125.246 0.100 . 1 . . . . 163 HIS N . 16697 1 stop_ save_