data_19680 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19680 _Entry.Title ; ASD-1 RRM domain ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2013-12-13 _Entry.Accession_date 2013-12-13 _Entry.Last_release_date 2014-08-29 _Entry.Original_release_date 2014-08-29 _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 'RRM domain from ASD-1' _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 Samir Amrane . . . 19680 2 Cameron Mackereth . D. . 19680 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19680 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 277 19680 '15N chemical shifts' 86 19680 '1H chemical shifts' 171 19680 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2014-08-29 2013-12-13 original author . 19680 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 19680 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI 10.1038/NCOMMS5595 _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'BACKBONE-INDEPENDENT NUCLEIC ACID BINDING BY SPLICING FACTOR SUP-12 REVEALS KEY ASPECTS OF MOLECULAR RECOGNITION' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nat. Commun.' _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 2014 _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 Samir Amrane . . . 19680 1 2 Karine Rebora . . . 19680 1 3 Ilyass Zniber . . . 19680 1 4 Denis Dupuy . . . 19680 1 5 Cameron Mackereth . D. . 19680 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19680 _Assembly.ID 1 _Assembly.Name ASD-1 _Assembly.BMRB_code . _Assembly.Number_of_components . _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 ASD-1 1 $ASD-1 A . yes native no no . . . 19680 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_ASD-1 _Entity.Sf_category entity _Entity.Sf_framecode ASD-1 _Entity.Entry_ID 19680 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name ASD-1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GAMGPVAPNDRSTSSSSTDG PRRLHVSNIPFKYREPDLTA MFEKVGPVVDVEIIFNERGS KGFGFVTMQNPDDADRARAE FNGTTIEGRRVEVNLATQR ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 'The sequence represents residues 82 to 177 of C. elegans ASD-1' _Entity.Polymer_author_seq_details 'The N-terminal Gly-Ala-Met remains following removal of the His6-tag by TEV potease' _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 99 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment 'RRM domain' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 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 yes UNP G5EEW7 . ASD-1 . . . . . . . . . . . . . . 19680 1 2 no BMRB 19609 . entity_1 . . . . . 81.82 94 100.00 100.00 6.23e-51 . . . . 19680 1 3 no BMRB 19686 . ASD-1 . . . . . 100.00 99 100.00 100.00 2.81e-64 . . . . 19680 1 4 no PDB 2MGZ . "Solution Structure Of Rbfox Family Asd-1 Rrm And Sup-12 Rrm In Ternary Complex With Rna" . . . . . 81.82 94 100.00 100.00 6.23e-51 . . . . 19680 1 5 no EMBL CAA85276 . "Uncharacterized protein CELE_R74.5 [Caenorhabditis elegans]" . . . . . 97.98 404 98.97 100.00 2.34e-57 . . . . 19680 1 6 no EMBL CAD82915 . "Uncharacterized protein CELE_R74.5 [Caenorhabditis elegans]" . . . . . 59.60 286 100.00 100.00 1.06e-33 . . . . 19680 1 7 no EMBL CCU83325 . "Uncharacterized protein CELE_R74.5 [Caenorhabditis elegans]" . . . . . 97.98 379 98.97 100.00 3.08e-57 . . . . 19680 1 8 no GB ABF22491 . "RNA-binding protein ASD-1 [Caenorhabditis elegans]" . . . . . 97.98 404 98.97 100.00 2.34e-57 . . . . 19680 1 9 no REF NP_001293646 . "Uncharacterized protein CELE_R74.5 [Caenorhabditis elegans]" . . . . . 97.98 379 98.97 100.00 3.08e-57 . . . . 19680 1 10 no REF NP_497841 . "Uncharacterized protein CELE_R74.5 [Caenorhabditis elegans]" . . . . . 97.98 404 98.97 100.00 2.34e-57 . . . . 19680 1 11 no REF NP_871667 . "Uncharacterized protein CELE_R74.5 [Caenorhabditis elegans]" . . . . . 59.60 286 100.00 100.00 1.06e-33 . . . . 19680 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Alternative splicing factor' 19680 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 79 GLY . 19680 1 2 80 ALA . 19680 1 3 81 MET . 19680 1 4 82 GLY . 19680 1 5 83 PRO . 19680 1 6 84 VAL . 19680 1 7 85 ALA . 19680 1 8 86 PRO . 19680 1 9 87 ASN . 19680 1 10 88 ASP . 19680 1 11 89 ARG . 19680 1 12 90 SER . 19680 1 13 91 THR . 19680 1 14 92 SER . 19680 1 15 93 SER . 19680 1 16 94 SER . 19680 1 17 95 SER . 19680 1 18 96 THR . 19680 1 19 97 ASP . 19680 1 20 98 GLY . 19680 1 21 99 PRO . 19680 1 22 100 ARG . 19680 1 23 101 ARG . 19680 1 24 102 LEU . 19680 1 25 103 HIS . 19680 1 26 104 VAL . 19680 1 27 105 SER . 19680 1 28 106 ASN . 19680 1 29 107 ILE . 19680 1 30 108 PRO . 19680 1 31 109 PHE . 19680 1 32 110 LYS . 19680 1 33 111 TYR . 19680 1 34 112 ARG . 19680 1 35 113 GLU . 19680 1 36 114 PRO . 19680 1 37 115 ASP . 19680 1 38 116 LEU . 19680 1 39 117 THR . 19680 1 40 118 ALA . 19680 1 41 119 MET . 19680 1 42 120 PHE . 19680 1 43 121 GLU . 19680 1 44 122 LYS . 19680 1 45 123 VAL . 19680 1 46 124 GLY . 19680 1 47 125 PRO . 19680 1 48 126 VAL . 19680 1 49 127 VAL . 19680 1 50 128 ASP . 19680 1 51 129 VAL . 19680 1 52 130 GLU . 19680 1 53 131 ILE . 19680 1 54 132 ILE . 19680 1 55 133 PHE . 19680 1 56 134 ASN . 19680 1 57 135 GLU . 19680 1 58 136 ARG . 19680 1 59 137 GLY . 19680 1 60 138 SER . 19680 1 61 139 LYS . 19680 1 62 140 GLY . 19680 1 63 141 PHE . 19680 1 64 142 GLY . 19680 1 65 143 PHE . 19680 1 66 144 VAL . 19680 1 67 145 THR . 19680 1 68 146 MET . 19680 1 69 147 GLN . 19680 1 70 148 ASN . 19680 1 71 149 PRO . 19680 1 72 150 ASP . 19680 1 73 151 ASP . 19680 1 74 152 ALA . 19680 1 75 153 ASP . 19680 1 76 154 ARG . 19680 1 77 155 ALA . 19680 1 78 156 ARG . 19680 1 79 157 ALA . 19680 1 80 158 GLU . 19680 1 81 159 PHE . 19680 1 82 160 ASN . 19680 1 83 161 GLY . 19680 1 84 162 THR . 19680 1 85 163 THR . 19680 1 86 164 ILE . 19680 1 87 165 GLU . 19680 1 88 166 GLY . 19680 1 89 167 ARG . 19680 1 90 168 ARG . 19680 1 91 169 VAL . 19680 1 92 170 GLU . 19680 1 93 171 VAL . 19680 1 94 172 ASN . 19680 1 95 173 LEU . 19680 1 96 174 ALA . 19680 1 97 175 THR . 19680 1 98 176 GLN . 19680 1 99 177 ARG . 19680 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 19680 1 . ALA 2 2 19680 1 . MET 3 3 19680 1 . GLY 4 4 19680 1 . PRO 5 5 19680 1 . VAL 6 6 19680 1 . ALA 7 7 19680 1 . PRO 8 8 19680 1 . ASN 9 9 19680 1 . ASP 10 10 19680 1 . ARG 11 11 19680 1 . SER 12 12 19680 1 . THR 13 13 19680 1 . SER 14 14 19680 1 . SER 15 15 19680 1 . SER 16 16 19680 1 . SER 17 17 19680 1 . THR 18 18 19680 1 . ASP 19 19 19680 1 . GLY 20 20 19680 1 . PRO 21 21 19680 1 . ARG 22 22 19680 1 . ARG 23 23 19680 1 . LEU 24 24 19680 1 . HIS 25 25 19680 1 . VAL 26 26 19680 1 . SER 27 27 19680 1 . ASN 28 28 19680 1 . ILE 29 29 19680 1 . PRO 30 30 19680 1 . PHE 31 31 19680 1 . LYS 32 32 19680 1 . TYR 33 33 19680 1 . ARG 34 34 19680 1 . GLU 35 35 19680 1 . PRO 36 36 19680 1 . ASP 37 37 19680 1 . LEU 38 38 19680 1 . THR 39 39 19680 1 . ALA 40 40 19680 1 . MET 41 41 19680 1 . PHE 42 42 19680 1 . GLU 43 43 19680 1 . LYS 44 44 19680 1 . VAL 45 45 19680 1 . GLY 46 46 19680 1 . PRO 47 47 19680 1 . VAL 48 48 19680 1 . VAL 49 49 19680 1 . ASP 50 50 19680 1 . VAL 51 51 19680 1 . GLU 52 52 19680 1 . ILE 53 53 19680 1 . ILE 54 54 19680 1 . PHE 55 55 19680 1 . ASN 56 56 19680 1 . GLU 57 57 19680 1 . ARG 58 58 19680 1 . GLY 59 59 19680 1 . SER 60 60 19680 1 . LYS 61 61 19680 1 . GLY 62 62 19680 1 . PHE 63 63 19680 1 . GLY 64 64 19680 1 . PHE 65 65 19680 1 . VAL 66 66 19680 1 . THR 67 67 19680 1 . MET 68 68 19680 1 . GLN 69 69 19680 1 . ASN 70 70 19680 1 . PRO 71 71 19680 1 . ASP 72 72 19680 1 . ASP 73 73 19680 1 . ALA 74 74 19680 1 . ASP 75 75 19680 1 . ARG 76 76 19680 1 . ALA 77 77 19680 1 . ARG 78 78 19680 1 . ALA 79 79 19680 1 . GLU 80 80 19680 1 . PHE 81 81 19680 1 . ASN 82 82 19680 1 . GLY 83 83 19680 1 . THR 84 84 19680 1 . THR 85 85 19680 1 . ILE 86 86 19680 1 . GLU 87 87 19680 1 . GLY 88 88 19680 1 . ARG 89 89 19680 1 . ARG 90 90 19680 1 . VAL 91 91 19680 1 . GLU 92 92 19680 1 . VAL 93 93 19680 1 . ASN 94 94 19680 1 . LEU 95 95 19680 1 . ALA 96 96 19680 1 . THR 97 97 19680 1 . GLN 98 98 19680 1 . ARG 99 99 19680 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 19680 _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 $ASD-1 . 6239 organism . 'Caenorhabditis elegans' nematode . . Eukaryota Metazoa Caenorhabditis elegans . . . . . . . . . . . . . . . . . . . . . 19680 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 19680 _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 $ASD-1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21 pLysY . . . . . . . . . . . . . . pETHis1a . . . . . . 19680 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 19680 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 ASD-1 '[U-99% 13C; U-99% 15N]' . . 1 $ASD-1 . . 0.2 . . mM . . . . 19680 1 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 19680 1 3 'sodium chloride' 'natural abundance' . . . . . . 300 . . mM . . . . 19680 1 4 D2O [U-2H] . . . . . . 10 . . % . . . . 19680 1 5 H2O 'natural abundance' . . . . . . 10 . . % . . . . 19680 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 19680 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 ASD-1 '[U-99% 15N]' . . 1 $ASD-1 . . 3.28 . . mM . . . . 19680 2 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 19680 2 3 'sodium chloride' 'natural abundance' . . . . . . 300 . . mM . . . . 19680 2 4 D2O [U-2H] . . . . . . 10 . . % . . . . 19680 2 5 H2O 'natural abundance' . . . . . . 10 . . % . . . . 19680 2 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 19680 _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' 320 . mM 19680 1 pH 6.5 . pH 19680 1 pressure 1 . atm 19680 1 temperature 298 . K 19680 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 19680 _Software.ID 1 _Software.Name TOPSPIN _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 19680 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 19680 1 processing 19680 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 19680 _Software.ID 2 _Software.Name NMRPipe _Software.Version 2007 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 19680 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 19680 2 processing 19680 2 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 19680 _Software.ID 3 _Software.Name SPARKY _Software.Version 3.113 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 19680 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 19680 3 'data analysis' 19680 3 'peak picking' 19680 3 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 19680 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details '5 mm PATXI 1H-13C/15N/D Z-GRD' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 19680 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details '5 mm CPTXI 1H-13C/15N/D Z-GRD' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 19680 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 700 '5 mm PATXI 1H-13C/15N/D Z-GRD' . . 19680 1 2 spectrometer_2 Bruker Avance . 800 '5 mm CPTXI 1H-13C/15N/D Z-GRD' . . 19680 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 19680 _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 . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19680 1 2 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19680 1 3 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19680 1 4 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19680 1 5 '3D HNHA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19680 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 19680 _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 external indirect 0.251449530 . . . . . . . . . 19680 1 H 1 water protons . . . . ppm 4.802 internal direct 1 . . . . . . . . . 19680 1 N 15 DSS 'methyl protons' . . . . ppm 0 external indirect 0.101329118 . . . . . . . . . 19680 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 19680 _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' . . . 19680 1 2 '3D HNCACB' . . . 19680 1 3 '3D HNCO' . . . 19680 1 4 '3D HN(CA)CO' . . . 19680 1 5 '3D HNHA' . . . 19680 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 ALA CA C 13 52.87 0.2 . 1 . . . . 80 ALA CA . 19680 1 2 . 1 1 2 2 ALA CB C 13 19.6 0.2 . 1 . . . . 80 ALA CB . 19680 1 3 . 1 1 3 3 MET H H 1 8.53 0.02 . 1 . . . . 81 MET HN . 19680 1 4 . 1 1 3 3 MET HA H 1 4.56 0.02 . 1 . . . . 81 MET HA . 19680 1 5 . 1 1 3 3 MET C C 13 176.32 0.2 . 1 . . . . 81 MET C . 19680 1 6 . 1 1 3 3 MET CA C 13 55.55 0.2 . 1 . . . . 81 MET CA . 19680 1 7 . 1 1 3 3 MET CB C 13 33.21 0.2 . 1 . . . . 81 MET CB . 19680 1 8 . 1 1 3 3 MET N N 15 119.53 0.2 . 1 . . . . 81 MET N . 19680 1 9 . 1 1 4 4 GLY H H 1 8.17 0.02 . 1 . . . . 82 GLY HN . 19680 1 10 . 1 1 4 4 GLY HA2 H 1 3.74 0.02 . 1 . . . . 82 GLY HA . 19680 1 11 . 1 1 4 4 GLY HA3 H 1 3.74 0.02 . 1 . . . . 82 GLY HA . 19680 1 12 . 1 1 4 4 GLY C C 13 171.74 0.2 . 1 . . . . 82 GLY C . 19680 1 13 . 1 1 4 4 GLY CA C 13 44.43 0.2 . 1 . . . . 82 GLY CA . 19680 1 14 . 1 1 4 4 GLY N N 15 109.8 0.2 . 1 . . . . 82 GLY N . 19680 1 15 . 1 1 5 5 PRO C C 13 177.01 0.2 . 1 . . . . 83 PRO C . 19680 1 16 . 1 1 5 5 PRO CA C 13 63.15 0.2 . 1 . . . . 83 PRO CA . 19680 1 17 . 1 1 5 5 PRO CB C 13 32.54 0.2 . 1 . . . . 83 PRO CB . 19680 1 18 . 1 1 6 6 VAL H H 1 8.24 0.02 . 1 . . . . 84 VAL HN . 19680 1 19 . 1 1 6 6 VAL HA H 1 4.6 0.02 . 1 . . . . 84 VAL HA . 19680 1 20 . 1 1 6 6 VAL C C 13 175.65 0.2 . 1 . . . . 84 VAL C . 19680 1 21 . 1 1 6 6 VAL CA C 13 62.11 0.2 . 1 . . . . 84 VAL CA . 19680 1 22 . 1 1 6 6 VAL CB C 13 33.23 0.2 . 1 . . . . 84 VAL CB . 19680 1 23 . 1 1 6 6 VAL N N 15 120.5 0.2 . 1 . . . . 84 VAL N . 19680 1 24 . 1 1 7 7 ALA H H 1 8.48 0.02 . 1 . . . . 85 ALA HN . 19680 1 25 . 1 1 7 7 ALA HA H 1 4.63 0.02 . 1 . . . . 85 ALA HA . 19680 1 26 . 1 1 7 7 ALA C C 13 175.64 0.2 . 1 . . . . 85 ALA C . 19680 1 27 . 1 1 7 7 ALA CA C 13 50.46 0.2 . 1 . . . . 85 ALA CA . 19680 1 28 . 1 1 7 7 ALA CB C 13 18.53 0.2 . 1 . . . . 85 ALA CB . 19680 1 29 . 1 1 7 7 ALA N N 15 129.39 0.2 . 1 . . . . 85 ALA N . 19680 1 30 . 1 1 8 8 PRO C C 13 176.9 0.2 . 1 . . . . 86 PRO C . 19680 1 31 . 1 1 8 8 PRO CA C 13 63.46 0.2 . 1 . . . . 86 PRO CA . 19680 1 32 . 1 1 8 8 PRO CB C 13 32.15 0.2 . 1 . . . . 86 PRO CB . 19680 1 33 . 1 1 9 9 ASN H H 1 8.48 0.02 . 1 . . . . 87 ASN HN . 19680 1 34 . 1 1 9 9 ASN HA H 1 4.67 0.02 . 1 . . . . 87 ASN HA . 19680 1 35 . 1 1 9 9 ASN C C 13 175 0.2 . 1 . . . . 87 ASN C . 19680 1 36 . 1 1 9 9 ASN CA C 13 53.47 0.2 . 1 . . . . 87 ASN CA . 19680 1 37 . 1 1 9 9 ASN CB C 13 39.16 0.2 . 1 . . . . 87 ASN CB . 19680 1 38 . 1 1 9 9 ASN N N 15 117.8 0.2 . 1 . . . . 87 ASN N . 19680 1 39 . 1 1 10 10 ASP H H 1 8.25 0.02 . 1 . . . . 88 ASP HN . 19680 1 40 . 1 1 10 10 ASP HA H 1 4.09 0.02 . 1 . . . . 88 ASP HA . 19680 1 41 . 1 1 10 10 ASP C C 13 176.4 0.2 . 1 . . . . 88 ASP C . 19680 1 42 . 1 1 10 10 ASP CA C 13 54.62 0.2 . 1 . . . . 88 ASP CA . 19680 1 43 . 1 1 10 10 ASP CB C 13 41.33 0.2 . 1 . . . . 88 ASP CB . 19680 1 44 . 1 1 10 10 ASP N N 15 120.55 0.2 . 1 . . . . 88 ASP N . 19680 1 45 . 1 1 11 11 ARG H H 1 8.29 0.02 . 1 . . . . 89 ARG HN . 19680 1 46 . 1 1 11 11 ARG HA H 1 4.35 0.02 . 1 . . . . 89 ARG HA . 19680 1 47 . 1 1 11 11 ARG C C 13 176.69 0.2 . 1 . . . . 89 ARG C . 19680 1 48 . 1 1 11 11 ARG CA C 13 56.46 0.2 . 1 . . . . 89 ARG CA . 19680 1 49 . 1 1 11 11 ARG CB C 13 30.6 0.2 . 1 . . . . 89 ARG CB . 19680 1 50 . 1 1 11 11 ARG N N 15 120.99 0.2 . 1 . . . . 89 ARG N . 19680 1 51 . 1 1 12 12 SER H H 1 8.44 0.02 . 1 . . . . 90 SER HN . 19680 1 52 . 1 1 12 12 SER HA H 1 4.49 0.02 . 1 . . . . 90 SER HA . 19680 1 53 . 1 1 12 12 SER C C 13 175.12 0.2 . 1 . . . . 90 SER C . 19680 1 54 . 1 1 12 12 SER CA C 13 59.12 0.2 . 1 . . . . 90 SER CA . 19680 1 55 . 1 1 12 12 SER CB C 13 63.9 0.2 . 1 . . . . 90 SER CB . 19680 1 56 . 1 1 12 12 SER N N 15 116.6 0.2 . 1 . . . . 90 SER N . 19680 1 57 . 1 1 13 13 THR H H 1 8.2 0.02 . 1 . . . . 91 THR HN . 19680 1 58 . 1 1 13 13 THR HA H 1 4.44 0.02 . 1 . . . . 91 THR HA . 19680 1 59 . 1 1 13 13 THR C C 13 175.03 0.2 . 1 . . . . 91 THR C . 19680 1 60 . 1 1 13 13 THR CA C 13 62.0 0.2 . 1 . . . . 91 THR CA . 19680 1 61 . 1 1 13 13 THR CB C 13 69.78 0.2 . 1 . . . . 91 THR CB . 19680 1 62 . 1 1 13 13 THR N N 15 115.01 0.2 . 1 . . . . 91 THR N . 19680 1 63 . 1 1 16 16 SER C C 13 174.75 0.2 . 1 . . . . 94 SER C . 19680 1 64 . 1 1 16 16 SER CA C 13 58.67 0.2 . 1 . . . . 94 SER CA . 19680 1 65 . 1 1 16 16 SER CB C 13 64.04 0.2 . 1 . . . . 94 SER CB . 19680 1 66 . 1 1 17 17 SER H H 1 8.43 0.02 . 1 . . . . 95 SER HN . 19680 1 67 . 1 1 17 17 SER C C 13 174.91 0.2 . 1 . . . . 95 SER C . 19680 1 68 . 1 1 17 17 SER CA C 13 58.72 0.2 . 1 . . . . 95 SER CA . 19680 1 69 . 1 1 17 17 SER CB C 13 63.97 0.2 . 1 . . . . 95 SER CB . 19680 1 70 . 1 1 17 17 SER N N 15 117.71 0.2 . 1 . . . . 95 SER N . 19680 1 71 . 1 1 18 18 THR H H 1 8.24 0.02 . 1 . . . . 96 THR HN . 19680 1 72 . 1 1 18 18 THR HA H 1 4.43 0.02 . 1 . . . . 96 THR HA . 19680 1 73 . 1 1 18 18 THR C C 13 174.76 0.2 . 1 . . . . 96 THR C . 19680 1 74 . 1 1 18 18 THR CA C 13 62.18 0.2 . 1 . . . . 96 THR CA . 19680 1 75 . 1 1 18 18 THR CB C 13 69.69 0.2 . 1 . . . . 96 THR CB . 19680 1 76 . 1 1 18 18 THR N N 15 114.87 0.2 . 1 . . . . 96 THR N . 19680 1 77 . 1 1 19 19 ASP H H 1 8.28 0.02 . 1 . . . . 97 ASP HN . 19680 1 78 . 1 1 19 19 ASP HA H 1 4.72 0.02 . 1 . . . . 97 ASP HA . 19680 1 79 . 1 1 19 19 ASP C C 13 176.12 0.2 . 1 . . . . 97 ASP C . 19680 1 80 . 1 1 19 19 ASP CA C 13 54.57 0.2 . 1 . . . . 97 ASP CA . 19680 1 81 . 1 1 19 19 ASP CB C 13 41.67 0.2 . 1 . . . . 97 ASP CB . 19680 1 82 . 1 1 19 19 ASP N N 15 122.2 0.2 . 1 . . . . 97 ASP N . 19680 1 83 . 1 1 20 20 GLY H H 1 8.12 0.02 . 1 . . . . 98 GLY HN . 19680 1 84 . 1 1 20 20 GLY HA2 H 1 4.07 0.02 . 1 . . . . 98 GLY HA . 19680 1 85 . 1 1 20 20 GLY HA3 H 1 4.07 0.02 . 1 . . . . 98 GLY HA . 19680 1 86 . 1 1 20 20 GLY C C 13 171.24 0.2 . 1 . . . . 98 GLY C . 19680 1 87 . 1 1 20 20 GLY CA C 13 45.16 0.2 . 1 . . . . 98 GLY CA . 19680 1 88 . 1 1 20 20 GLY N N 15 108.7 0.2 . 1 . . . . 98 GLY N . 19680 1 89 . 1 1 21 21 PRO C C 13 176.66 0.2 . 1 . . . . 99 PRO C . 19680 1 90 . 1 1 21 21 PRO CA C 13 63.42 0.2 . 1 . . . . 99 PRO CA . 19680 1 91 . 1 1 21 21 PRO CB C 13 32.28 0.2 . 1 . . . . 99 PRO CB . 19680 1 92 . 1 1 22 22 ARG H H 1 8.32 0.02 . 1 . . . . 100 ARG HN . 19680 1 93 . 1 1 22 22 ARG HA H 1 4.45 0.02 . 1 . . . . 100 ARG HA . 19680 1 94 . 1 1 22 22 ARG C C 13 173.89 0.2 . 1 . . . . 100 ARG C . 19680 1 95 . 1 1 22 22 ARG CA C 13 55.51 0.2 . 1 . . . . 100 ARG CA . 19680 1 96 . 1 1 22 22 ARG CB C 13 32.26 0.2 . 1 . . . . 100 ARG CB . 19680 1 97 . 1 1 22 22 ARG N N 15 117.85 0.2 . 1 . . . . 100 ARG N . 19680 1 98 . 1 1 23 23 ARG H H 1 8.05 0.02 . 1 . . . . 101 ARG HN . 19680 1 99 . 1 1 23 23 ARG HA H 1 5.05 0.02 . 1 . . . . 101 ARG HA . 19680 1 100 . 1 1 23 23 ARG C C 13 174.68 0.2 . 1 . . . . 101 ARG C . 19680 1 101 . 1 1 23 23 ARG CA C 13 55.75 0.2 . 1 . . . . 101 ARG CA . 19680 1 102 . 1 1 23 23 ARG CB C 13 32.78 0.2 . 1 . . . . 101 ARG CB . 19680 1 103 . 1 1 23 23 ARG N N 15 122.58 0.2 . 1 . . . . 101 ARG N . 19680 1 104 . 1 1 24 24 LEU H H 1 9.56 0.02 . 1 . . . . 102 LEU HN . 19680 1 105 . 1 1 24 24 LEU HA H 1 5.1 0.02 . 1 . . . . 102 LEU HA . 19680 1 106 . 1 1 24 24 LEU C C 13 175.58 0.2 . 1 . . . . 102 LEU C . 19680 1 107 . 1 1 24 24 LEU CA C 13 53.56 0.2 . 1 . . . . 102 LEU CA . 19680 1 108 . 1 1 24 24 LEU CB C 13 44.33 0.2 . 1 . . . . 102 LEU CB . 19680 1 109 . 1 1 24 24 LEU N N 15 125.56 0.2 . 1 . . . . 102 LEU N . 19680 1 110 . 1 1 25 25 HIS H H 1 9.49 0.02 . 1 . . . . 103 HIS HN . 19680 1 111 . 1 1 25 25 HIS HA H 1 4.93 0.02 . 1 . . . . 103 HIS HA . 19680 1 112 . 1 1 25 25 HIS C C 13 174.09 0.2 . 1 . . . . 103 HIS C . 19680 1 113 . 1 1 25 25 HIS CA C 13 54.97 0.2 . 1 . . . . 103 HIS CA . 19680 1 114 . 1 1 25 25 HIS CB C 13 33.34 0.2 . 1 . . . . 103 HIS CB . 19680 1 115 . 1 1 25 25 HIS N N 15 123.38 0.2 . 1 . . . . 103 HIS N . 19680 1 116 . 1 1 26 26 VAL H H 1 8.82 0.02 . 1 . . . . 104 VAL HN . 19680 1 117 . 1 1 26 26 VAL HA H 1 4.99 0.02 . 1 . . . . 104 VAL HA . 19680 1 118 . 1 1 26 26 VAL C C 13 173.82 0.2 . 1 . . . . 104 VAL C . 19680 1 119 . 1 1 26 26 VAL CA C 13 60.37 0.2 . 1 . . . . 104 VAL CA . 19680 1 120 . 1 1 26 26 VAL CB C 13 33.52 0.2 . 1 . . . . 104 VAL CB . 19680 1 121 . 1 1 26 26 VAL N N 15 128.42 0.2 . 1 . . . . 104 VAL N . 19680 1 122 . 1 1 27 27 SER H H 1 9.2 0.02 . 1 . . . . 105 SER HN . 19680 1 123 . 1 1 27 27 SER HA H 1 4.97 0.02 . 1 . . . . 105 SER HA . 19680 1 124 . 1 1 27 27 SER CA C 13 57.0 0.2 . 1 . . . . 105 SER CA . 19680 1 125 . 1 1 27 27 SER CB C 13 66.05 0.2 . 1 . . . . 105 SER CB . 19680 1 126 . 1 1 27 27 SER N N 15 119.62 0.2 . 1 . . . . 105 SER N . 19680 1 127 . 1 1 28 28 ASN H H 1 8.32 0.02 . 1 . . . . 106 ASN HN . 19680 1 128 . 1 1 28 28 ASN HA H 1 4.44 0.02 . 1 . . . . 106 ASN HA . 19680 1 129 . 1 1 28 28 ASN C C 13 174.65 0.2 . 1 . . . . 106 ASN C . 19680 1 130 . 1 1 28 28 ASN CA C 13 54.09 0.2 . 1 . . . . 106 ASN CA . 19680 1 131 . 1 1 28 28 ASN CB C 13 37.54 0.2 . 1 . . . . 106 ASN CB . 19680 1 132 . 1 1 28 28 ASN N N 15 117.95 0.2 . 1 . . . . 106 ASN N . 19680 1 133 . 1 1 29 29 ILE H H 1 7.21 0.02 . 1 . . . . 107 ILE HN . 19680 1 134 . 1 1 29 29 ILE HA H 1 3.93 0.02 . 1 . . . . 107 ILE HA . 19680 1 135 . 1 1 29 29 ILE C C 13 173.31 0.2 . 1 . . . . 107 ILE C . 19680 1 136 . 1 1 29 29 ILE CA C 13 59.3 0.2 . 1 . . . . 107 ILE CA . 19680 1 137 . 1 1 29 29 ILE CB C 13 37.49 0.2 . 1 . . . . 107 ILE CB . 19680 1 138 . 1 1 29 29 ILE N N 15 109.26 0.2 . 1 . . . . 107 ILE N . 19680 1 139 . 1 1 30 30 PRO C C 13 178.06 0.2 . 1 . . . . 108 PRO C . 19680 1 140 . 1 1 30 30 PRO CA C 13 63.26 0.2 . 1 . . . . 108 PRO CA . 19680 1 141 . 1 1 30 30 PRO CB C 13 32.08 0.2 . 1 . . . . 108 PRO CB . 19680 1 142 . 1 1 31 31 PHE H H 1 8.41 0.02 . 1 . . . . 109 PHE HN . 19680 1 143 . 1 1 31 31 PHE C C 13 176.45 0.2 . 1 . . . . 109 PHE C . 19680 1 144 . 1 1 31 31 PHE CA C 13 60.93 0.2 . 1 . . . . 109 PHE CA . 19680 1 145 . 1 1 31 31 PHE CB C 13 38.76 0.2 . 1 . . . . 109 PHE CB . 19680 1 146 . 1 1 31 31 PHE N N 15 125.23 0.2 . 1 . . . . 109 PHE N . 19680 1 147 . 1 1 32 32 LYS H H 1 8.12 0.02 . 1 . . . . 110 LYS HN . 19680 1 148 . 1 1 32 32 LYS C C 13 177.47 0.2 . 1 . . . . 110 LYS C . 19680 1 149 . 1 1 32 32 LYS CA C 13 56.81 0.2 . 1 . . . . 110 LYS CA . 19680 1 150 . 1 1 32 32 LYS CB C 13 32.52 0.2 . 1 . . . . 110 LYS CB . 19680 1 151 . 1 1 32 32 LYS N N 15 113.4 0.2 . 1 . . . . 110 LYS N . 19680 1 152 . 1 1 33 33 TYR H H 1 7.68 0.02 . 1 . . . . 111 TYR HN . 19680 1 153 . 1 1 33 33 TYR HA H 1 4.46 0.02 . 1 . . . . 111 TYR HA . 19680 1 154 . 1 1 33 33 TYR C C 13 176.96 0.2 . 1 . . . . 111 TYR C . 19680 1 155 . 1 1 33 33 TYR CA C 13 58.67 0.2 . 1 . . . . 111 TYR CA . 19680 1 156 . 1 1 33 33 TYR CB C 13 37.79 0.2 . 1 . . . . 111 TYR CB . 19680 1 157 . 1 1 33 33 TYR N N 15 120.93 0.2 . 1 . . . . 111 TYR N . 19680 1 158 . 1 1 34 34 ARG H H 1 9.63 0.02 . 1 . . . . 112 ARG HN . 19680 1 159 . 1 1 34 34 ARG HA H 1 4.95 0.02 . 1 . . . . 112 ARG HA . 19680 1 160 . 1 1 34 34 ARG C C 13 176.45 0.2 . 1 . . . . 112 ARG C . 19680 1 161 . 1 1 34 34 ARG CA C 13 53.11 0.2 . 1 . . . . 112 ARG CA . 19680 1 162 . 1 1 34 34 ARG CB C 13 33.28 0.2 . 1 . . . . 112 ARG CB . 19680 1 163 . 1 1 34 34 ARG N N 15 123.23 0.2 . 1 . . . . 112 ARG N . 19680 1 164 . 1 1 35 35 GLU H H 1 10.54 0.02 . 1 . . . . 113 GLU HN . 19680 1 165 . 1 1 35 35 GLU C C 13 176.19 0.2 . 1 . . . . 113 GLU C . 19680 1 166 . 1 1 35 35 GLU CA C 13 63.65 0.2 . 1 . . . . 113 GLU CA . 19680 1 167 . 1 1 35 35 GLU CB C 13 26.31 0.2 . 1 . . . . 113 GLU CB . 19680 1 168 . 1 1 35 35 GLU N N 15 122.75 0.2 . 1 . . . . 113 GLU N . 19680 1 169 . 1 1 36 36 PRO C C 13 179.14 0.2 . 1 . . . . 114 PRO C . 19680 1 170 . 1 1 36 36 PRO CA C 13 66.11 0.2 . 1 . . . . 114 PRO CA . 19680 1 171 . 1 1 36 36 PRO CB C 13 31.27 0.2 . 1 . . . . 114 PRO CB . 19680 1 172 . 1 1 37 37 ASP H H 1 7.2 0.02 . 1 . . . . 115 ASP HN . 19680 1 173 . 1 1 37 37 ASP HA H 1 4.13 0.02 . 1 . . . . 115 ASP HA . 19680 1 174 . 1 1 37 37 ASP C C 13 178.58 0.2 . 1 . . . . 115 ASP C . 19680 1 175 . 1 1 37 37 ASP CA C 13 56.93 0.2 . 1 . . . . 115 ASP CA . 19680 1 176 . 1 1 37 37 ASP CB C 13 40.71 0.2 . 1 . . . . 115 ASP CB . 19680 1 177 . 1 1 37 37 ASP N N 15 115.45 0.2 . 1 . . . . 115 ASP N . 19680 1 178 . 1 1 38 38 LEU H H 1 7.47 0.02 . 1 . . . . 116 LEU HN . 19680 1 179 . 1 1 38 38 LEU HA H 1 4.28 0.02 . 1 . . . . 116 LEU HA . 19680 1 180 . 1 1 38 38 LEU C C 13 178.37 0.2 . 1 . . . . 116 LEU C . 19680 1 181 . 1 1 38 38 LEU CA C 13 57.24 0.2 . 1 . . . . 116 LEU CA . 19680 1 182 . 1 1 38 38 LEU CB C 13 42.98 0.2 . 1 . . . . 116 LEU CB . 19680 1 183 . 1 1 38 38 LEU N N 15 119.38 0.2 . 1 . . . . 116 LEU N . 19680 1 184 . 1 1 39 39 THR H H 1 8.55 0.02 . 1 . . . . 117 THR HN . 19680 1 185 . 1 1 39 39 THR HA H 1 3.72 0.02 . 1 . . . . 117 THR HA . 19680 1 186 . 1 1 39 39 THR C C 13 176.93 0.2 . 1 . . . . 117 THR C . 19680 1 187 . 1 1 39 39 THR CA C 13 68.42 0.2 . 1 . . . . 117 THR CA . 19680 1 188 . 1 1 39 39 THR N N 15 116.4 0.2 . 1 . . . . 117 THR N . 19680 1 189 . 1 1 40 40 ALA H H 1 7.68 0.02 . 1 . . . . 118 ALA HN . 19680 1 190 . 1 1 40 40 ALA HA H 1 4.03 0.02 . 1 . . . . 118 ALA HA . 19680 1 191 . 1 1 40 40 ALA C C 13 179.7 0.2 . 1 . . . . 118 ALA C . 19680 1 192 . 1 1 40 40 ALA CA C 13 55.04 0.2 . 1 . . . . 118 ALA CA . 19680 1 193 . 1 1 40 40 ALA CB C 13 18.27 0.2 . 1 . . . . 118 ALA CB . 19680 1 194 . 1 1 40 40 ALA N N 15 120.3 0.2 . 1 . . . . 118 ALA N . 19680 1 195 . 1 1 41 41 MET H H 1 7.25 0.02 . 1 . . . . 119 MET HN . 19680 1 196 . 1 1 41 41 MET HA H 1 4 0.02 . 1 . . . . 119 MET HA . 19680 1 197 . 1 1 41 41 MET C C 13 176.81 0.2 . 1 . . . . 119 MET C . 19680 1 198 . 1 1 41 41 MET CA C 13 59.02 0.2 . 1 . . . . 119 MET CA . 19680 1 199 . 1 1 41 41 MET CB C 13 33.03 0.2 . 1 . . . . 119 MET CB . 19680 1 200 . 1 1 41 41 MET N N 15 115.33 0.2 . 1 . . . . 119 MET N . 19680 1 201 . 1 1 42 42 PHE H H 1 7.88 0.02 . 1 . . . . 120 PHE HN . 19680 1 202 . 1 1 42 42 PHE HA H 1 4.18 0.02 . 1 . . . . 120 PHE HA . 19680 1 203 . 1 1 42 42 PHE C C 13 178.19 0.2 . 1 . . . . 120 PHE C . 19680 1 204 . 1 1 42 42 PHE CA C 13 62.68 0.2 . 1 . . . . 120 PHE CA . 19680 1 205 . 1 1 42 42 PHE CB C 13 39.7 0.2 . 1 . . . . 120 PHE CB . 19680 1 206 . 1 1 42 42 PHE N N 15 114.75 0.2 . 1 . . . . 120 PHE N . 19680 1 207 . 1 1 43 43 GLU H H 1 8.79 0.02 . 1 . . . . 121 GLU HN . 19680 1 208 . 1 1 43 43 GLU HA H 1 5.02 0.02 . 1 . . . . 121 GLU HA . 19680 1 209 . 1 1 43 43 GLU C C 13 178.18 0.2 . 1 . . . . 121 GLU C . 19680 1 210 . 1 1 43 43 GLU CA C 13 57.97 0.2 . 1 . . . . 121 GLU CA . 19680 1 211 . 1 1 43 43 GLU CB C 13 29.16 0.2 . 1 . . . . 121 GLU CB . 19680 1 212 . 1 1 43 43 GLU N N 15 120.64 0.2 . 1 . . . . 121 GLU N . 19680 1 213 . 1 1 44 44 LYS H H 1 7.12 0.02 . 1 . . . . 122 LYS HN . 19680 1 214 . 1 1 44 44 LYS HA H 1 4.08 0.02 . 1 . . . . 122 LYS HA . 19680 1 215 . 1 1 44 44 LYS C C 13 177.98 0.2 . 1 . . . . 122 LYS C . 19680 1 216 . 1 1 44 44 LYS CA C 13 58.92 0.2 . 1 . . . . 122 LYS CA . 19680 1 217 . 1 1 44 44 LYS CB C 13 32.81 0.2 . 1 . . . . 122 LYS CB . 19680 1 218 . 1 1 44 44 LYS N N 15 117.05 0.2 . 1 . . . . 122 LYS N . 19680 1 219 . 1 1 45 45 VAL H H 1 7.97 0.02 . 1 . . . . 123 VAL HN . 19680 1 220 . 1 1 45 45 VAL HA H 1 3.95 0.02 . 1 . . . . 123 VAL HA . 19680 1 221 . 1 1 45 45 VAL C C 13 175.61 0.2 . 1 . . . . 123 VAL C . 19680 1 222 . 1 1 45 45 VAL CA C 13 64.4 0.2 . 1 . . . . 123 VAL CA . 19680 1 223 . 1 1 45 45 VAL CB C 13 32.75 0.2 . 1 . . . . 123 VAL CB . 19680 1 224 . 1 1 45 45 VAL N N 15 117.73 0.2 . 1 . . . . 123 VAL N . 19680 1 225 . 1 1 46 46 GLY H H 1 7.81 0.02 . 1 . . . . 124 GLY HN . 19680 1 226 . 1 1 46 46 GLY HA2 H 1 4.08 0.02 . 1 . . . . 124 GLY HA . 19680 1 227 . 1 1 46 46 GLY HA3 H 1 4.08 0.02 . 1 . . . . 124 GLY HA . 19680 1 228 . 1 1 46 46 GLY C C 13 168.98 0.2 . 1 . . . . 124 GLY C . 19680 1 229 . 1 1 46 46 GLY CA C 13 45.6 0.2 . 1 . . . . 124 GLY CA . 19680 1 230 . 1 1 46 46 GLY N N 15 106.49 0.2 . 1 . . . . 124 GLY N . 19680 1 231 . 1 1 47 47 PRO C C 13 177.07 0.2 . 1 . . . . 125 PRO C . 19680 1 232 . 1 1 47 47 PRO CA C 13 63.73 0.2 . 1 . . . . 125 PRO CA . 19680 1 233 . 1 1 47 47 PRO CB C 13 31.95 0.2 . 1 . . . . 125 PRO CB . 19680 1 234 . 1 1 48 48 VAL H H 1 9.04 0.02 . 1 . . . . 126 VAL HN . 19680 1 235 . 1 1 48 48 VAL HA H 1 4.29 0.02 . 1 . . . . 126 VAL HA . 19680 1 236 . 1 1 48 48 VAL C C 13 176.66 0.2 . 1 . . . . 126 VAL C . 19680 1 237 . 1 1 48 48 VAL CA C 13 62.07 0.2 . 1 . . . . 126 VAL CA . 19680 1 238 . 1 1 48 48 VAL CB C 13 34.86 0.2 . 1 . . . . 126 VAL CB . 19680 1 239 . 1 1 48 48 VAL N N 15 125.64 0.2 . 1 . . . . 126 VAL N . 19680 1 240 . 1 1 49 49 VAL H H 1 8.97 0.02 . 1 . . . . 127 VAL HN . 19680 1 241 . 1 1 49 49 VAL HA H 1 4.11 0.02 . 1 . . . . 127 VAL HA . 19680 1 242 . 1 1 49 49 VAL C C 13 175.41 0.2 . 1 . . . . 127 VAL C . 19680 1 243 . 1 1 49 49 VAL CA C 13 63.5 0.2 . 1 . . . . 127 VAL CA . 19680 1 244 . 1 1 49 49 VAL CB C 13 33.21 0.2 . 1 . . . . 127 VAL CB . 19680 1 245 . 1 1 49 49 VAL N N 15 124.16 0.2 . 1 . . . . 127 VAL N . 19680 1 246 . 1 1 50 50 ASP H H 1 7.55 0.02 . 1 . . . . 128 ASP HN . 19680 1 247 . 1 1 50 50 ASP HA H 1 4.81 0.02 . 1 . . . . 128 ASP HA . 19680 1 248 . 1 1 50 50 ASP C C 13 173.38 0.2 . 1 . . . . 128 ASP C . 19680 1 249 . 1 1 50 50 ASP CA C 13 54.34 0.2 . 1 . . . . 128 ASP CA . 19680 1 250 . 1 1 50 50 ASP CB C 13 44.39 0.2 . 1 . . . . 128 ASP CB . 19680 1 251 . 1 1 50 50 ASP N N 15 116.53 0.2 . 1 . . . . 128 ASP N . 19680 1 252 . 1 1 51 51 VAL H H 1 8.13 0.02 . 1 . . . . 129 VAL HN . 19680 1 253 . 1 1 51 51 VAL HA H 1 4.9 0.02 . 1 . . . . 129 VAL HA . 19680 1 254 . 1 1 51 51 VAL C C 13 173.51 0.2 . 1 . . . . 129 VAL C . 19680 1 255 . 1 1 51 51 VAL CA C 13 60.94 0.2 . 1 . . . . 129 VAL CA . 19680 1 256 . 1 1 51 51 VAL CB C 13 36.22 0.2 . 1 . . . . 129 VAL CB . 19680 1 257 . 1 1 51 51 VAL N N 15 117.8 0.2 . 1 . . . . 129 VAL N . 19680 1 258 . 1 1 52 52 GLU H H 1 8.82 0.02 . 1 . . . . 130 GLU HN . 19680 1 259 . 1 1 52 52 GLU HA H 1 4.79 0.02 . 1 . . . . 130 GLU HA . 19680 1 260 . 1 1 52 52 GLU C C 13 174.59 0.2 . 1 . . . . 130 GLU C . 19680 1 261 . 1 1 52 52 GLU CA C 13 55.35 0.2 . 1 . . . . 130 GLU CA . 19680 1 262 . 1 1 52 52 GLU CB C 13 33.95 0.2 . 1 . . . . 130 GLU CB . 19680 1 263 . 1 1 52 52 GLU N N 15 124.08 0.2 . 1 . . . . 130 GLU N . 19680 1 264 . 1 1 53 53 ILE H H 1 8.97 0.02 . 1 . . . . 131 ILE HN . 19680 1 265 . 1 1 53 53 ILE HA H 1 4.22 0.02 . 1 . . . . 131 ILE HA . 19680 1 266 . 1 1 53 53 ILE C C 13 173.99 0.2 . 1 . . . . 131 ILE C . 19680 1 267 . 1 1 53 53 ILE CA C 13 60.54 0.2 . 1 . . . . 131 ILE CA . 19680 1 268 . 1 1 53 53 ILE CB C 13 39.63 0.2 . 1 . . . . 131 ILE CB . 19680 1 269 . 1 1 53 53 ILE N N 15 126.01 0.2 . 1 . . . . 131 ILE N . 19680 1 270 . 1 1 54 54 ILE H H 1 7.83 0.02 . 1 . . . . 132 ILE HN . 19680 1 271 . 1 1 54 54 ILE C C 13 174.18 0.2 . 1 . . . . 132 ILE C . 19680 1 272 . 1 1 54 54 ILE CA C 13 59.4 0.2 . 1 . . . . 132 ILE CA . 19680 1 273 . 1 1 54 54 ILE CB C 13 36.05 0.2 . 1 . . . . 132 ILE CB . 19680 1 274 . 1 1 54 54 ILE N N 15 127.07 0.2 . 1 . . . . 132 ILE N . 19680 1 275 . 1 1 55 55 PHE H H 1 8.6 0.02 . 1 . . . . 133 PHE HN . 19680 1 276 . 1 1 55 55 PHE C C 13 176.54 0.2 . 1 . . . . 133 PHE C . 19680 1 277 . 1 1 55 55 PHE CA C 13 57.2 0.2 . 1 . . . . 133 PHE CA . 19680 1 278 . 1 1 55 55 PHE CB C 13 42.7 0.2 . 1 . . . . 133 PHE CB . 19680 1 279 . 1 1 55 55 PHE N N 15 124.83 0.2 . 1 . . . . 133 PHE N . 19680 1 280 . 1 1 56 56 ASN H H 1 8.92 0.02 . 1 . . . . 134 ASN HN . 19680 1 281 . 1 1 56 56 ASN HA H 1 4.93 0.02 . 1 . . . . 134 ASN HA . 19680 1 282 . 1 1 56 56 ASN C C 13 176.14 0.2 . 1 . . . . 134 ASN C . 19680 1 283 . 1 1 56 56 ASN CA C 13 52.19 0.2 . 1 . . . . 134 ASN CA . 19680 1 284 . 1 1 56 56 ASN CB C 13 39.8 0.2 . 1 . . . . 134 ASN CB . 19680 1 285 . 1 1 56 56 ASN N N 15 119.33 0.2 . 1 . . . . 134 ASN N . 19680 1 286 . 1 1 57 57 GLU H H 1 9.14 0.02 . 1 . . . . 135 GLU HN . 19680 1 287 . 1 1 57 57 GLU C C 13 177.18 0.2 . 1 . . . . 135 GLU C . 19680 1 288 . 1 1 57 57 GLU CA C 13 58.88 0.2 . 1 . . . . 135 GLU CA . 19680 1 289 . 1 1 57 57 GLU CB C 13 29.41 0.2 . 1 . . . . 135 GLU CB . 19680 1 290 . 1 1 57 57 GLU N N 15 119.11 0.2 . 1 . . . . 135 GLU N . 19680 1 291 . 1 1 58 58 ARG H H 1 8.07 0.02 . 1 . . . . 136 ARG HN . 19680 1 292 . 1 1 58 58 ARG HA H 1 4.33 0.02 . 1 . . . . 136 ARG HA . 19680 1 293 . 1 1 58 58 ARG C C 13 176.28 0.2 . 1 . . . . 136 ARG C . 19680 1 294 . 1 1 58 58 ARG CA C 13 56.56 0.2 . 1 . . . . 136 ARG CA . 19680 1 295 . 1 1 58 58 ARG CB C 13 30.57 0.2 . 1 . . . . 136 ARG CB . 19680 1 296 . 1 1 58 58 ARG N N 15 117.56 0.2 . 1 . . . . 136 ARG N . 19680 1 297 . 1 1 59 59 GLY H H 1 7.89 0.02 . 1 . . . . 137 GLY HN . 19680 1 298 . 1 1 59 59 GLY HA2 H 1 4.36 0.02 . 1 . . . . 137 GLY HA . 19680 1 299 . 1 1 59 59 GLY HA3 H 1 4.36 0.02 . 1 . . . . 137 GLY HA . 19680 1 300 . 1 1 59 59 GLY C C 13 172.69 0.2 . 1 . . . . 137 GLY C . 19680 1 301 . 1 1 59 59 GLY CA C 13 44.84 0.2 . 1 . . . . 137 GLY CA . 19680 1 302 . 1 1 59 59 GLY N N 15 107.91 0.2 . 1 . . . . 137 GLY N . 19680 1 303 . 1 1 60 60 SER H H 1 8.33 0.02 . 1 . . . . 138 SER HN . 19680 1 304 . 1 1 60 60 SER HA H 1 4.21 0.02 . 1 . . . . 138 SER HA . 19680 1 305 . 1 1 60 60 SER C C 13 176.1 0.2 . 1 . . . . 138 SER C . 19680 1 306 . 1 1 60 60 SER CA C 13 58.27 0.2 . 1 . . . . 138 SER CA . 19680 1 307 . 1 1 60 60 SER CB C 13 64.6 0.2 . 1 . . . . 138 SER CB . 19680 1 308 . 1 1 60 60 SER N N 15 114.97 0.2 . 1 . . . . 138 SER N . 19680 1 309 . 1 1 61 61 LYS H H 1 8.95 0.02 . 1 . . . . 139 LYS HN . 19680 1 310 . 1 1 61 61 LYS HA H 1 4.21 0.02 . 1 . . . . 139 LYS HA . 19680 1 311 . 1 1 61 61 LYS C C 13 177.42 0.2 . 1 . . . . 139 LYS C . 19680 1 312 . 1 1 61 61 LYS CA C 13 56.81 0.2 . 1 . . . . 139 LYS CA . 19680 1 313 . 1 1 61 61 LYS CB C 13 32.9 0.2 . 1 . . . . 139 LYS CB . 19680 1 314 . 1 1 61 61 LYS N N 15 123.14 0.2 . 1 . . . . 139 LYS N . 19680 1 315 . 1 1 62 62 GLY H H 1 9.27 0.02 . 1 . . . . 140 GLY HN . 19680 1 316 . 1 1 62 62 GLY C C 13 172.52 0.2 . 1 . . . . 140 GLY C . 19680 1 317 . 1 1 62 62 GLY CA C 13 45.93 0.2 . 1 . . . . 140 GLY CA . 19680 1 318 . 1 1 62 62 GLY N N 15 108.6 0.2 . 1 . . . . 140 GLY N . 19680 1 319 . 1 1 63 63 PHE C C 13 172.27 0.2 . 1 . . . . 141 PHE C . 19680 1 320 . 1 1 63 63 PHE CA C 13 55.29 0.2 . 1 . . . . 141 PHE CA . 19680 1 321 . 1 1 63 63 PHE CB C 13 41.83 0.2 . 1 . . . . 141 PHE CB . 19680 1 322 . 1 1 64 64 GLY H H 1 8.78 0.02 . 1 . . . . 142 GLY HN . 19680 1 323 . 1 1 64 64 GLY HA2 H 1 4.17 0.02 . 1 . . . . 142 GLY HA . 19680 1 324 . 1 1 64 64 GLY HA3 H 1 4.17 0.02 . 1 . . . . 142 GLY HA . 19680 1 325 . 1 1 64 64 GLY C C 13 170.19 0.2 . 1 . . . . 142 GLY C . 19680 1 326 . 1 1 64 64 GLY CA C 13 45.56 0.2 . 1 . . . . 142 GLY CA . 19680 1 327 . 1 1 64 64 GLY N N 15 105.2 0.2 . 1 . . . . 142 GLY N . 19680 1 328 . 1 1 65 65 PHE H H 1 9.23 0.02 . 1 . . . . 143 PHE HN . 19680 1 329 . 1 1 65 65 PHE HA H 1 5.94 0.02 . 1 . . . . 143 PHE HA . 19680 1 330 . 1 1 65 65 PHE C C 13 175.52 0.2 . 1 . . . . 143 PHE C . 19680 1 331 . 1 1 65 65 PHE CA C 13 56.13 0.2 . 1 . . . . 143 PHE CA . 19680 1 332 . 1 1 65 65 PHE CB C 13 43.77 0.2 . 1 . . . . 143 PHE CB . 19680 1 333 . 1 1 65 65 PHE N N 15 116.5 0.2 . 1 . . . . 143 PHE N . 19680 1 334 . 1 1 66 66 VAL H H 1 8.95 0.02 . 1 . . . . 144 VAL HN . 19680 1 335 . 1 1 66 66 VAL HA H 1 4.52 0.02 . 1 . . . . 144 VAL HA . 19680 1 336 . 1 1 66 66 VAL C C 13 174.62 0.2 . 1 . . . . 144 VAL C . 19680 1 337 . 1 1 66 66 VAL CA C 13 61.32 0.2 . 1 . . . . 144 VAL CA . 19680 1 338 . 1 1 66 66 VAL CB C 13 35.97 0.2 . 1 . . . . 144 VAL CB . 19680 1 339 . 1 1 66 66 VAL N N 15 121.97 0.2 . 1 . . . . 144 VAL N . 19680 1 340 . 1 1 67 67 THR H H 1 9.16 0.02 . 1 . . . . 145 THR HN . 19680 1 341 . 1 1 67 67 THR HA H 1 4.88 0.02 . 1 . . . . 145 THR HA . 19680 1 342 . 1 1 67 67 THR C C 13 174.34 0.2 . 1 . . . . 145 THR C . 19680 1 343 . 1 1 67 67 THR CA C 13 62.32 0.2 . 1 . . . . 145 THR CA . 19680 1 344 . 1 1 67 67 THR CB C 13 68.9 0.2 . 1 . . . . 145 THR CB . 19680 1 345 . 1 1 67 67 THR N N 15 124.36 0.2 . 1 . . . . 145 THR N . 19680 1 346 . 1 1 68 68 MET H H 1 8.77 0.02 . 1 . . . . 146 MET HN . 19680 1 347 . 1 1 68 68 MET HA H 1 5.09 0.02 . 1 . . . . 146 MET HA . 19680 1 348 . 1 1 68 68 MET C C 13 175.61 0.2 . 1 . . . . 146 MET C . 19680 1 349 . 1 1 68 68 MET CA C 13 53.24 0.2 . 1 . . . . 146 MET CA . 19680 1 350 . 1 1 68 68 MET CB C 13 31.27 0.2 . 1 . . . . 146 MET CB . 19680 1 351 . 1 1 68 68 MET N N 15 125.83 0.2 . 1 . . . . 146 MET N . 19680 1 352 . 1 1 69 69 GLN H H 1 8.36 0.02 . 1 . . . . 147 GLN HN . 19680 1 353 . 1 1 69 69 GLN HA H 1 4.09 0.02 . 1 . . . . 147 GLN HA . 19680 1 354 . 1 1 69 69 GLN C C 13 175.64 0.2 . 1 . . . . 147 GLN C . 19680 1 355 . 1 1 69 69 GLN CA C 13 59.42 0.2 . 1 . . . . 147 GLN CA . 19680 1 356 . 1 1 69 69 GLN CB C 13 30.48 0.2 . 1 . . . . 147 GLN CB . 19680 1 357 . 1 1 69 69 GLN N N 15 120.34 0.2 . 1 . . . . 147 GLN N . 19680 1 358 . 1 1 70 70 ASN H H 1 9.04 0.02 . 1 . . . . 148 ASN HN . 19680 1 359 . 1 1 70 70 ASN HA H 1 5.34 0.02 . 1 . . . . 148 ASN HA . 19680 1 360 . 1 1 70 70 ASN C C 13 174.59 0.2 . 1 . . . . 148 ASN C . 19680 1 361 . 1 1 70 70 ASN CA C 13 50.05 0.2 . 1 . . . . 148 ASN CA . 19680 1 362 . 1 1 70 70 ASN CB C 13 39.93 0.2 . 1 . . . . 148 ASN CB . 19680 1 363 . 1 1 70 70 ASN N N 15 114.85 0.2 . 1 . . . . 148 ASN N . 19680 1 364 . 1 1 71 71 PRO C C 13 178.58 0.2 . 1 . . . . 149 PRO C . 19680 1 365 . 1 1 71 71 PRO CA C 13 65.74 0.2 . 1 . . . . 149 PRO CA . 19680 1 366 . 1 1 71 71 PRO CB C 13 32.22 0.2 . 1 . . . . 149 PRO CB . 19680 1 367 . 1 1 72 72 ASP H H 1 8.67 0.02 . 1 . . . . 150 ASP HN . 19680 1 368 . 1 1 72 72 ASP HA H 1 4.48 0.02 . 1 . . . . 150 ASP HA . 19680 1 369 . 1 1 72 72 ASP C C 13 179.1 0.2 . 1 . . . . 150 ASP C . 19680 1 370 . 1 1 72 72 ASP CA C 13 57.03 0.2 . 1 . . . . 150 ASP CA . 19680 1 371 . 1 1 72 72 ASP CB C 13 39.96 0.2 . 1 . . . . 150 ASP CB . 19680 1 372 . 1 1 72 72 ASP N N 15 117.75 0.2 . 1 . . . . 150 ASP N . 19680 1 373 . 1 1 73 73 ASP H H 1 7.69 0.02 . 1 . . . . 151 ASP HN . 19680 1 374 . 1 1 73 73 ASP HA H 1 4.42 0.02 . 1 . . . . 151 ASP HA . 19680 1 375 . 1 1 73 73 ASP C C 13 178.27 0.2 . 1 . . . . 151 ASP C . 19680 1 376 . 1 1 73 73 ASP CA C 13 56.81 0.2 . 1 . . . . 151 ASP CA . 19680 1 377 . 1 1 73 73 ASP CB C 13 40.04 0.2 . 1 . . . . 151 ASP CB . 19680 1 378 . 1 1 73 73 ASP N N 15 119.83 0.2 . 1 . . . . 151 ASP N . 19680 1 379 . 1 1 74 74 ALA H H 1 7.69 0.02 . 1 . . . . 152 ALA HN . 19680 1 380 . 1 1 74 74 ALA HA H 1 4.19 0.02 . 1 . . . . 152 ALA HA . 19680 1 381 . 1 1 74 74 ALA C C 13 178.59 0.2 . 1 . . . . 152 ALA C . 19680 1 382 . 1 1 74 74 ALA CA C 13 56.21 0.2 . 1 . . . . 152 ALA CA . 19680 1 383 . 1 1 74 74 ALA CB C 13 17.72 0.2 . 1 . . . . 152 ALA CB . 19680 1 384 . 1 1 74 74 ALA N N 15 122.64 0.2 . 1 . . . . 152 ALA N . 19680 1 385 . 1 1 75 75 ASP H H 1 7.8 0.02 . 1 . . . . 153 ASP HN . 19680 1 386 . 1 1 75 75 ASP HA H 1 4.42 0.02 . 1 . . . . 153 ASP HA . 19680 1 387 . 1 1 75 75 ASP C C 13 179.33 0.2 . 1 . . . . 153 ASP C . 19680 1 388 . 1 1 75 75 ASP CA C 13 58.09 0.2 . 1 . . . . 153 ASP CA . 19680 1 389 . 1 1 75 75 ASP CB C 13 41.2 0.2 . 1 . . . . 153 ASP CB . 19680 1 390 . 1 1 75 75 ASP N N 15 117.67 0.2 . 1 . . . . 153 ASP N . 19680 1 391 . 1 1 76 76 ARG H H 1 7.99 0.02 . 1 . . . . 154 ARG HN . 19680 1 392 . 1 1 76 76 ARG HA H 1 4.13 0.02 . 1 . . . . 154 ARG HA . 19680 1 393 . 1 1 76 76 ARG C C 13 178.53 0.2 . 1 . . . . 154 ARG C . 19680 1 394 . 1 1 76 76 ARG CA C 13 59.71 0.2 . 1 . . . . 154 ARG CA . 19680 1 395 . 1 1 76 76 ARG CB C 13 30.57 0.2 . 1 . . . . 154 ARG CB . 19680 1 396 . 1 1 76 76 ARG N N 15 119.8 0.2 . 1 . . . . 154 ARG N . 19680 1 397 . 1 1 77 77 ALA H H 1 8.87 0.02 . 1 . . . . 155 ALA HN . 19680 1 398 . 1 1 77 77 ALA HA H 1 3.84 0.02 . 1 . . . . 155 ALA HA . 19680 1 399 . 1 1 77 77 ALA C C 13 179.07 0.2 . 1 . . . . 155 ALA C . 19680 1 400 . 1 1 77 77 ALA CA C 13 55.25 0.2 . 1 . . . . 155 ALA CA . 19680 1 401 . 1 1 77 77 ALA CB C 13 18.6 0.2 . 1 . . . . 155 ALA CB . 19680 1 402 . 1 1 77 77 ALA N N 15 121.54 0.2 . 1 . . . . 155 ALA N . 19680 1 403 . 1 1 78 78 ARG H H 1 8.17 0.02 . 1 . . . . 156 ARG HN . 19680 1 404 . 1 1 78 78 ARG HA H 1 3.84 0.02 . 1 . . . . 156 ARG HA . 19680 1 405 . 1 1 78 78 ARG C C 13 177.49 0.2 . 1 . . . . 156 ARG C . 19680 1 406 . 1 1 78 78 ARG CA C 13 60.85 0.2 . 1 . . . . 156 ARG CA . 19680 1 407 . 1 1 78 78 ARG CB C 13 29.57 0.2 . 1 . . . . 156 ARG CB . 19680 1 408 . 1 1 78 78 ARG N N 15 117.75 0.2 . 1 . . . . 156 ARG N . 19680 1 409 . 1 1 79 79 ALA H H 1 7.63 0.02 . 1 . . . . 157 ALA HN . 19680 1 410 . 1 1 79 79 ALA HA H 1 4.07 0.02 . 1 . . . . 157 ALA HA . 19680 1 411 . 1 1 79 79 ALA C C 13 180.06 0.2 . 1 . . . . 157 ALA C . 19680 1 412 . 1 1 79 79 ALA CA C 13 55.0 0.2 . 1 . . . . 157 ALA CA . 19680 1 413 . 1 1 79 79 ALA CB C 13 18.5 0.2 . 1 . . . . 157 ALA CB . 19680 1 414 . 1 1 79 79 ALA N N 15 119.59 0.2 . 1 . . . . 157 ALA N . 19680 1 415 . 1 1 80 80 GLU H H 1 8.24 0.02 . 1 . . . . 158 GLU HN . 19680 1 416 . 1 1 80 80 GLU HA H 1 3.84 0.02 . 1 . . . . 158 GLU HA . 19680 1 417 . 1 1 80 80 GLU C C 13 178.41 0.2 . 1 . . . . 158 GLU C . 19680 1 418 . 1 1 80 80 GLU CA C 13 58.53 0.2 . 1 . . . . 158 GLU CA . 19680 1 419 . 1 1 80 80 GLU CB C 13 30.03 0.2 . 1 . . . . 158 GLU CB . 19680 1 420 . 1 1 80 80 GLU N N 15 116.38 0.2 . 1 . . . . 158 GLU N . 19680 1 421 . 1 1 81 81 PHE H H 1 7.91 0.02 . 1 . . . . 159 PHE HN . 19680 1 422 . 1 1 81 81 PHE HA H 1 4.9 0.02 . 1 . . . . 159 PHE HA . 19680 1 423 . 1 1 81 81 PHE C C 13 177.92 0.2 . 1 . . . . 159 PHE C . 19680 1 424 . 1 1 81 81 PHE CA C 13 57.36 0.2 . 1 . . . . 159 PHE CA . 19680 1 425 . 1 1 81 81 PHE CB C 13 41.44 0.2 . 1 . . . . 159 PHE CB . 19680 1 426 . 1 1 81 81 PHE N N 15 111.15 0.2 . 1 . . . . 159 PHE N . 19680 1 427 . 1 1 82 82 ASN H H 1 8.5 0.02 . 1 . . . . 160 ASN HN . 19680 1 428 . 1 1 82 82 ASN HA H 1 4.52 0.02 . 1 . . . . 160 ASN HA . 19680 1 429 . 1 1 82 82 ASN C C 13 176.41 0.2 . 1 . . . . 160 ASN C . 19680 1 430 . 1 1 82 82 ASN CA C 13 57.34 0.2 . 1 . . . . 160 ASN CA . 19680 1 431 . 1 1 82 82 ASN CB C 13 39.02 0.2 . 1 . . . . 160 ASN CB . 19680 1 432 . 1 1 82 82 ASN N N 15 118.58 0.2 . 1 . . . . 160 ASN N . 19680 1 433 . 1 1 83 83 GLY H H 1 9.27 0.02 . 1 . . . . 161 GLY HN . 19680 1 434 . 1 1 83 83 GLY HA2 H 1 4.19 0.02 . 1 . . . . 161 GLY HA . 19680 1 435 . 1 1 83 83 GLY HA3 H 1 4.19 0.02 . 1 . . . . 161 GLY HA . 19680 1 436 . 1 1 83 83 GLY C C 13 174.31 0.2 . 1 . . . . 161 GLY C . 19680 1 437 . 1 1 83 83 GLY CA C 13 45.96 0.2 . 1 . . . . 161 GLY CA . 19680 1 438 . 1 1 83 83 GLY N N 15 116.65 0.2 . 1 . . . . 161 GLY N . 19680 1 439 . 1 1 84 84 THR H H 1 7.77 0.02 . 1 . . . . 162 THR HN . 19680 1 440 . 1 1 84 84 THR HA H 1 4.43 0.02 . 1 . . . . 162 THR HA . 19680 1 441 . 1 1 84 84 THR C C 13 172.54 0.2 . 1 . . . . 162 THR C . 19680 1 442 . 1 1 84 84 THR CA C 13 62.17 0.2 . 1 . . . . 162 THR CA . 19680 1 443 . 1 1 84 84 THR CB C 13 70.55 0.2 . 1 . . . . 162 THR CB . 19680 1 444 . 1 1 84 84 THR N N 15 114.45 0.2 . 1 . . . . 162 THR N . 19680 1 445 . 1 1 85 85 THR H H 1 8.34 0.02 . 1 . . . . 163 THR HN . 19680 1 446 . 1 1 85 85 THR HA H 1 5.12 0.02 . 1 . . . . 163 THR HA . 19680 1 447 . 1 1 85 85 THR C C 13 174.7 0.2 . 1 . . . . 163 THR C . 19680 1 448 . 1 1 85 85 THR CA C 13 61.92 0.2 . 1 . . . . 163 THR CA . 19680 1 449 . 1 1 85 85 THR CB C 13 69.77 0.2 . 1 . . . . 163 THR CB . 19680 1 450 . 1 1 85 85 THR N N 15 116.39 0.2 . 1 . . . . 163 THR N . 19680 1 451 . 1 1 86 86 ILE H H 1 8.97 0.02 . 1 . . . . 164 ILE HN . 19680 1 452 . 1 1 86 86 ILE HA H 1 4.2 0.02 . 1 . . . . 164 ILE HA . 19680 1 453 . 1 1 86 86 ILE C C 13 175.22 0.2 . 1 . . . . 164 ILE C . 19680 1 454 . 1 1 86 86 ILE CA C 13 60.74 0.2 . 1 . . . . 164 ILE CA . 19680 1 455 . 1 1 86 86 ILE CB C 13 40.52 0.2 . 1 . . . . 164 ILE CB . 19680 1 456 . 1 1 86 86 ILE N N 15 126.54 0.2 . 1 . . . . 164 ILE N . 19680 1 457 . 1 1 87 87 GLU H H 1 9.39 0.02 . 1 . . . . 165 GLU HN . 19680 1 458 . 1 1 87 87 GLU HA H 1 3.83 0.02 . 1 . . . . 165 GLU HA . 19680 1 459 . 1 1 87 87 GLU C C 13 176.66 0.2 . 1 . . . . 165 GLU C . 19680 1 460 . 1 1 87 87 GLU CA C 13 57.08 0.2 . 1 . . . . 165 GLU CA . 19680 1 461 . 1 1 87 87 GLU CB C 13 27.55 0.2 . 1 . . . . 165 GLU CB . 19680 1 462 . 1 1 87 87 GLU N N 15 125.78 0.2 . 1 . . . . 165 GLU N . 19680 1 463 . 1 1 88 88 GLY H H 1 8.32 0.02 . 1 . . . . 166 GLY HN . 19680 1 464 . 1 1 88 88 GLY HA2 H 1 3.5 0.02 . 1 . . . . 166 GLY HA . 19680 1 465 . 1 1 88 88 GLY HA3 H 1 3.5 0.02 . 1 . . . . 166 GLY HA . 19680 1 466 . 1 1 88 88 GLY C C 13 173.86 0.2 . 1 . . . . 166 GLY C . 19680 1 467 . 1 1 88 88 GLY CA C 13 45.56 0.2 . 1 . . . . 166 GLY CA . 19680 1 468 . 1 1 88 88 GLY N N 15 102.39 0.2 . 1 . . . . 166 GLY N . 19680 1 469 . 1 1 89 89 ARG H H 1 7.91 0.02 . 1 . . . . 167 ARG HN . 19680 1 470 . 1 1 89 89 ARG HA H 1 4.53 0.02 . 1 . . . . 167 ARG HA . 19680 1 471 . 1 1 89 89 ARG C C 13 174.16 0.2 . 1 . . . . 167 ARG C . 19680 1 472 . 1 1 89 89 ARG CA C 13 54.82 0.2 . 1 . . . . 167 ARG CA . 19680 1 473 . 1 1 89 89 ARG CB C 13 32.26 0.2 . 1 . . . . 167 ARG CB . 19680 1 474 . 1 1 89 89 ARG N N 15 120.84 0.2 . 1 . . . . 167 ARG N . 19680 1 475 . 1 1 90 90 ARG H H 1 8.55 0.02 . 1 . . . . 168 ARG HN . 19680 1 476 . 1 1 90 90 ARG HA H 1 4.54 0.02 . 1 . . . . 168 ARG HA . 19680 1 477 . 1 1 90 90 ARG C C 13 175.83 0.2 . 1 . . . . 168 ARG C . 19680 1 478 . 1 1 90 90 ARG CA C 13 55.99 0.2 . 1 . . . . 168 ARG CA . 19680 1 479 . 1 1 90 90 ARG CB C 13 30.04 0.2 . 1 . . . . 168 ARG CB . 19680 1 480 . 1 1 90 90 ARG N N 15 123.28 0.2 . 1 . . . . 168 ARG N . 19680 1 481 . 1 1 91 91 VAL H H 1 8.99 0.02 . 1 . . . . 169 VAL HN . 19680 1 482 . 1 1 91 91 VAL HA H 1 4.42 0.02 . 1 . . . . 169 VAL HA . 19680 1 483 . 1 1 91 91 VAL C C 13 175.13 0.2 . 1 . . . . 169 VAL C . 19680 1 484 . 1 1 91 91 VAL CA C 13 61.96 0.2 . 1 . . . . 169 VAL CA . 19680 1 485 . 1 1 91 91 VAL CB C 13 33.25 0.2 . 1 . . . . 169 VAL CB . 19680 1 486 . 1 1 91 91 VAL N N 15 129.1 0.2 . 1 . . . . 169 VAL N . 19680 1 487 . 1 1 92 92 GLU H H 1 8.03 0.02 . 1 . . . . 170 GLU HN . 19680 1 488 . 1 1 92 92 GLU HA H 1 5 0.02 . 1 . . . . 170 GLU HA . 19680 1 489 . 1 1 92 92 GLU C C 13 175.71 0.2 . 1 . . . . 170 GLU C . 19680 1 490 . 1 1 92 92 GLU CA C 13 54.59 0.2 . 1 . . . . 170 GLU CA . 19680 1 491 . 1 1 92 92 GLU CB C 13 32.15 0.2 . 1 . . . . 170 GLU CB . 19680 1 492 . 1 1 92 92 GLU N N 15 123.43 0.2 . 1 . . . . 170 GLU N . 19680 1 493 . 1 1 93 93 VAL H H 1 9.03 0.02 . 1 . . . . 171 VAL HN . 19680 1 494 . 1 1 93 93 VAL HA H 1 5.11 0.02 . 1 . . . . 171 VAL HA . 19680 1 495 . 1 1 93 93 VAL C C 13 173.65 0.2 . 1 . . . . 171 VAL C . 19680 1 496 . 1 1 93 93 VAL CA C 13 61.28 0.2 . 1 . . . . 171 VAL CA . 19680 1 497 . 1 1 93 93 VAL CB C 13 34.98 0.2 . 1 . . . . 171 VAL CB . 19680 1 498 . 1 1 93 93 VAL N N 15 123.31 0.2 . 1 . . . . 171 VAL N . 19680 1 499 . 1 1 94 94 ASN H H 1 8.99 0.02 . 1 . . . . 172 ASN HN . 19680 1 500 . 1 1 94 94 ASN HA H 1 5.12 0.02 . 1 . . . . 172 ASN HA . 19680 1 501 . 1 1 94 94 ASN C C 13 174.55 0.2 . 1 . . . . 172 ASN C . 19680 1 502 . 1 1 94 94 ASN CA C 13 51.83 0.2 . 1 . . . . 172 ASN CA . 19680 1 503 . 1 1 94 94 ASN CB C 13 43.64 0.2 . 1 . . . . 172 ASN CB . 19680 1 504 . 1 1 94 94 ASN N N 15 123.36 0.2 . 1 . . . . 172 ASN N . 19680 1 505 . 1 1 95 95 LEU H H 1 9.12 0.02 . 1 . . . . 173 LEU HN . 19680 1 506 . 1 1 95 95 LEU HA H 1 4.53 0.02 . 1 . . . . 173 LEU HA . 19680 1 507 . 1 1 95 95 LEU C C 13 177.16 0.2 . 1 . . . . 173 LEU C . 19680 1 508 . 1 1 95 95 LEU CA C 13 56.36 0.2 . 1 . . . . 173 LEU CA . 19680 1 509 . 1 1 95 95 LEU CB C 13 42.24 0.2 . 1 . . . . 173 LEU CB . 19680 1 510 . 1 1 95 95 LEU N N 15 122.41 0.2 . 1 . . . . 173 LEU N . 19680 1 511 . 1 1 96 96 ALA H H 1 8.75 0.02 . 1 . . . . 174 ALA HN . 19680 1 512 . 1 1 96 96 ALA HA H 1 4.54 0.02 . 1 . . . . 174 ALA HA . 19680 1 513 . 1 1 96 96 ALA C C 13 177.2 0.2 . 1 . . . . 174 ALA C . 19680 1 514 . 1 1 96 96 ALA CA C 13 52.36 0.2 . 1 . . . . 174 ALA CA . 19680 1 515 . 1 1 96 96 ALA CB C 13 19.83 0.2 . 1 . . . . 174 ALA CB . 19680 1 516 . 1 1 96 96 ALA N N 15 126.41 0.2 . 1 . . . . 174 ALA N . 19680 1 517 . 1 1 97 97 THR H H 1 8.26 0.02 . 1 . . . . 175 THR HN . 19680 1 518 . 1 1 97 97 THR HA H 1 4.32 0.02 . 1 . . . . 175 THR HA . 19680 1 519 . 1 1 97 97 THR C C 13 174.4 0.2 . 1 . . . . 175 THR C . 19680 1 520 . 1 1 97 97 THR CA C 13 62.21 0.2 . 1 . . . . 175 THR CA . 19680 1 521 . 1 1 97 97 THR CB C 13 69.82 0.2 . 1 . . . . 175 THR CB . 19680 1 522 . 1 1 97 97 THR N N 15 113.64 0.2 . 1 . . . . 175 THR N . 19680 1 523 . 1 1 98 98 GLN H H 1 8.42 0.02 . 1 . . . . 176 GLN HN . 19680 1 524 . 1 1 98 98 GLN HA H 1 4.33 0.02 . 1 . . . . 176 GLN HA . 19680 1 525 . 1 1 98 98 GLN C C 13 174.89 0.2 . 1 . . . . 176 GLN C . 19680 1 526 . 1 1 98 98 GLN CA C 13 56.22 0.2 . 1 . . . . 176 GLN CA . 19680 1 527 . 1 1 98 98 GLN CB C 13 29.86 0.2 . 1 . . . . 176 GLN CB . 19680 1 528 . 1 1 98 98 GLN N N 15 122.85 0.2 . 1 . . . . 176 GLN N . 19680 1 529 . 1 1 99 99 ARG H H 1 8.03 0.02 . 1 . . . . 177 ARG HN . 19680 1 530 . 1 1 99 99 ARG HA H 1 4.1 0.02 . 1 . . . . 177 ARG HA . 19680 1 531 . 1 1 99 99 ARG C C 13 180.93 0.2 . 1 . . . . 177 ARG C . 19680 1 532 . 1 1 99 99 ARG CA C 13 57.76 0.2 . 1 . . . . 177 ARG CA . 19680 1 533 . 1 1 99 99 ARG CB C 13 31.61 0.2 . 1 . . . . 177 ARG CB . 19680 1 534 . 1 1 99 99 ARG N N 15 127.75 0.2 . 1 . . . . 177 ARG N . 19680 1 stop_ save_