data_19139 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19139 _Entry.Title ; Backbone chemical shift assignments of the talin rod domain, R7 (residues 1357-1653 (delta1454-1586)) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2013-04-03 _Entry.Accession_date 2013-04-03 _Entry.Last_release_date 2013-04-03 _Entry.Original_release_date 2013-04-03 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _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.ORCID _Entry_author.Entry_ID 1 Benjamin Goult . T. . . 19139 2 Neil Bate . . . . 19139 3 Alexandre Gingras . R. . . 19139 4 Igor Barsukov . L. . . 19139 5 David Critchley . R. . . 19139 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19139 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 504 19139 '15N chemical shifts' 165 19139 '1H chemical shifts' 165 19139 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 . . 2018-06-05 . original BMRB . 19139 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2X0C 'X-Ray structure of the R7-R8 double domain' 19139 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 19139 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI 10.7554/eLife.18124 _Citation.PubMed_ID 27410476 _Citation.Full_citation . _Citation.Title ; Talin-KANK1 interaction controls the recruitment of cortical microtubule stabilizing complexes to focal adhesions ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Elife _Citation.Journal_name_full eLife _Citation.Journal_volume 5 _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN 2050-084X _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 e18124 _Citation.Page_last e18124 _Citation.Year 2016 _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.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Benjamin Bouchet B. P. . . 19139 1 2 Rosemarie Gough R. E. . . 19139 1 3 York-Christoph Ammon Y. C. . . 19139 1 4 Dieudonnee 'van de Willige' D. . . . 19139 1 5 Harm Post H. . . . 19139 1 6 Guillaume Jacquemet G. . . . 19139 1 7 'Af Maarten' Altelaar A. M. . . 19139 1 8 'Albert Jr' Heck A. J. . . 19139 1 9 Benjamin Goult B. T. . . 19139 1 10 Anna Akhmanova A. . . . 19139 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID R7 19139 1 integrin 19139 1 nmr 19139 1 talin 19139 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19139 _Assembly.ID 1 _Assembly.Name R7 _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 18971 _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 R7 1 $R7 A . yes native no no . . . 19139 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 2X0C . . X-ray 2 'Structure of R7-R8' . 19139 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_R7 _Entity.Sf_category entity _Entity.Sf_framecode R7 _Entity.Entry_ID 19139 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name R7 _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 ; GIDPFTGSAPGQKECDNALR QLETVRELLENPVQPINDMS YFGCLDSVMENSKVLGEAMT GISQNAKNGNLPEFGDAIAT ASKALCGFTEAAAQAAYLVG VSDPNVDQISPEGRAAMEPI VISAKTMLESAGGLIQTARA LAVNPRDPPRWSVLAGHSRT VSDSIKKLITSMRDKAPGQL ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details ; Residues 1349-1356 represent a non-native affinity tag. Residues 1454-1584 inclusive deleted from construct. ; _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 180 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment R7 _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 18971 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 1 GLY . 19139 1 2 2 ILE . 19139 1 3 3 ASP . 19139 1 4 4 PRO . 19139 1 5 5 PHE . 19139 1 6 6 THR . 19139 1 7 7 GLY . 19139 1 8 8 SER . 19139 1 9 9 ALA . 19139 1 10 10 PRO . 19139 1 11 11 GLY . 19139 1 12 12 GLN . 19139 1 13 13 LYS . 19139 1 14 14 GLU . 19139 1 15 15 CYS . 19139 1 16 16 ASP . 19139 1 17 17 ASN . 19139 1 18 18 ALA . 19139 1 19 19 LEU . 19139 1 20 20 ARG . 19139 1 21 21 GLN . 19139 1 22 22 LEU . 19139 1 23 23 GLU . 19139 1 24 24 THR . 19139 1 25 25 VAL . 19139 1 26 26 ARG . 19139 1 27 27 GLU . 19139 1 28 28 LEU . 19139 1 29 29 LEU . 19139 1 30 30 GLU . 19139 1 31 31 ASN . 19139 1 32 32 PRO . 19139 1 33 33 VAL . 19139 1 34 34 GLN . 19139 1 35 35 PRO . 19139 1 36 36 ILE . 19139 1 37 37 ASN . 19139 1 38 38 ASP . 19139 1 39 39 MET . 19139 1 40 40 SER . 19139 1 41 41 TYR . 19139 1 42 42 PHE . 19139 1 43 43 GLY . 19139 1 44 44 CYS . 19139 1 45 45 LEU . 19139 1 46 46 ASP . 19139 1 47 47 SER . 19139 1 48 48 VAL . 19139 1 49 49 MET . 19139 1 50 50 GLU . 19139 1 51 51 ASN . 19139 1 52 52 SER . 19139 1 53 53 LYS . 19139 1 54 54 VAL . 19139 1 55 55 LEU . 19139 1 56 56 GLY . 19139 1 57 57 GLU . 19139 1 58 58 ALA . 19139 1 59 59 MET . 19139 1 60 60 THR . 19139 1 61 61 GLY . 19139 1 62 62 ILE . 19139 1 63 63 SER . 19139 1 64 64 GLN . 19139 1 65 65 ASN . 19139 1 66 66 ALA . 19139 1 67 67 LYS . 19139 1 68 68 ASN . 19139 1 69 69 GLY . 19139 1 70 70 ASN . 19139 1 71 71 LEU . 19139 1 72 72 PRO . 19139 1 73 73 GLU . 19139 1 74 74 PHE . 19139 1 75 75 GLY . 19139 1 76 76 ASP . 19139 1 77 77 ALA . 19139 1 78 78 ILE . 19139 1 79 79 ALA . 19139 1 80 80 THR . 19139 1 81 81 ALA . 19139 1 82 82 SER . 19139 1 83 83 LYS . 19139 1 84 84 ALA . 19139 1 85 85 LEU . 19139 1 86 86 CYS . 19139 1 87 87 GLY . 19139 1 88 88 PHE . 19139 1 89 89 THR . 19139 1 90 90 GLU . 19139 1 91 91 ALA . 19139 1 92 92 ALA . 19139 1 93 93 ALA . 19139 1 94 94 GLN . 19139 1 95 95 ALA . 19139 1 96 96 ALA . 19139 1 97 97 TYR . 19139 1 98 98 LEU . 19139 1 99 99 VAL . 19139 1 100 100 GLY . 19139 1 101 101 VAL . 19139 1 102 102 SER . 19139 1 103 103 ASP . 19139 1 104 104 PRO . 19139 1 105 105 ASN . 19139 1 106 106 VAL . 19139 1 107 107 ASP . 19139 1 108 108 GLN . 19139 1 109 109 ILE . 19139 1 110 110 SER . 19139 1 111 111 PRO . 19139 1 112 112 GLU . 19139 1 113 113 GLY . 19139 1 114 114 ARG . 19139 1 115 115 ALA . 19139 1 116 116 ALA . 19139 1 117 117 MET . 19139 1 118 118 GLU . 19139 1 119 119 PRO . 19139 1 120 120 ILE . 19139 1 121 121 VAL . 19139 1 122 122 ILE . 19139 1 123 123 SER . 19139 1 124 124 ALA . 19139 1 125 125 LYS . 19139 1 126 126 THR . 19139 1 127 127 MET . 19139 1 128 128 LEU . 19139 1 129 129 GLU . 19139 1 130 130 SER . 19139 1 131 131 ALA . 19139 1 132 132 GLY . 19139 1 133 133 GLY . 19139 1 134 134 LEU . 19139 1 135 135 ILE . 19139 1 136 136 GLN . 19139 1 137 137 THR . 19139 1 138 138 ALA . 19139 1 139 139 ARG . 19139 1 140 140 ALA . 19139 1 141 141 LEU . 19139 1 142 142 ALA . 19139 1 143 143 VAL . 19139 1 144 144 ASN . 19139 1 145 145 PRO . 19139 1 146 146 ARG . 19139 1 147 147 ASP . 19139 1 148 148 PRO . 19139 1 149 149 PRO . 19139 1 150 150 ARG . 19139 1 151 151 TRP . 19139 1 152 152 SER . 19139 1 153 153 VAL . 19139 1 154 154 LEU . 19139 1 155 155 ALA . 19139 1 156 156 GLY . 19139 1 157 157 HIS . 19139 1 158 158 SER . 19139 1 159 159 ARG . 19139 1 160 160 THR . 19139 1 161 161 VAL . 19139 1 162 162 SER . 19139 1 163 163 ASP . 19139 1 164 164 SER . 19139 1 165 165 ILE . 19139 1 166 166 LYS . 19139 1 167 167 LYS . 19139 1 168 168 LEU . 19139 1 169 169 ILE . 19139 1 170 170 THR . 19139 1 171 171 SER . 19139 1 172 172 MET . 19139 1 173 173 ARG . 19139 1 174 174 ASP . 19139 1 175 175 LYS . 19139 1 176 176 ALA . 19139 1 177 177 PRO . 19139 1 178 178 GLY . 19139 1 179 179 GLN . 19139 1 180 180 LEU . 19139 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 19139 1 . ILE 2 2 19139 1 . ASP 3 3 19139 1 . PRO 4 4 19139 1 . PHE 5 5 19139 1 . THR 6 6 19139 1 . GLY 7 7 19139 1 . SER 8 8 19139 1 . ALA 9 9 19139 1 . PRO 10 10 19139 1 . GLY 11 11 19139 1 . GLN 12 12 19139 1 . LYS 13 13 19139 1 . GLU 14 14 19139 1 . CYS 15 15 19139 1 . ASP 16 16 19139 1 . ASN 17 17 19139 1 . ALA 18 18 19139 1 . LEU 19 19 19139 1 . ARG 20 20 19139 1 . GLN 21 21 19139 1 . LEU 22 22 19139 1 . GLU 23 23 19139 1 . THR 24 24 19139 1 . VAL 25 25 19139 1 . ARG 26 26 19139 1 . GLU 27 27 19139 1 . LEU 28 28 19139 1 . LEU 29 29 19139 1 . GLU 30 30 19139 1 . ASN 31 31 19139 1 . PRO 32 32 19139 1 . VAL 33 33 19139 1 . GLN 34 34 19139 1 . PRO 35 35 19139 1 . ILE 36 36 19139 1 . ASN 37 37 19139 1 . ASP 38 38 19139 1 . MET 39 39 19139 1 . SER 40 40 19139 1 . TYR 41 41 19139 1 . PHE 42 42 19139 1 . GLY 43 43 19139 1 . CYS 44 44 19139 1 . LEU 45 45 19139 1 . ASP 46 46 19139 1 . SER 47 47 19139 1 . VAL 48 48 19139 1 . MET 49 49 19139 1 . GLU 50 50 19139 1 . ASN 51 51 19139 1 . SER 52 52 19139 1 . LYS 53 53 19139 1 . VAL 54 54 19139 1 . LEU 55 55 19139 1 . GLY 56 56 19139 1 . GLU 57 57 19139 1 . ALA 58 58 19139 1 . MET 59 59 19139 1 . THR 60 60 19139 1 . GLY 61 61 19139 1 . ILE 62 62 19139 1 . SER 63 63 19139 1 . GLN 64 64 19139 1 . ASN 65 65 19139 1 . ALA 66 66 19139 1 . LYS 67 67 19139 1 . ASN 68 68 19139 1 . GLY 69 69 19139 1 . ASN 70 70 19139 1 . LEU 71 71 19139 1 . PRO 72 72 19139 1 . GLU 73 73 19139 1 . PHE 74 74 19139 1 . GLY 75 75 19139 1 . ASP 76 76 19139 1 . ALA 77 77 19139 1 . ILE 78 78 19139 1 . ALA 79 79 19139 1 . THR 80 80 19139 1 . ALA 81 81 19139 1 . SER 82 82 19139 1 . LYS 83 83 19139 1 . ALA 84 84 19139 1 . LEU 85 85 19139 1 . CYS 86 86 19139 1 . GLY 87 87 19139 1 . PHE 88 88 19139 1 . THR 89 89 19139 1 . GLU 90 90 19139 1 . ALA 91 91 19139 1 . ALA 92 92 19139 1 . ALA 93 93 19139 1 . GLN 94 94 19139 1 . ALA 95 95 19139 1 . ALA 96 96 19139 1 . TYR 97 97 19139 1 . LEU 98 98 19139 1 . VAL 99 99 19139 1 . GLY 100 100 19139 1 . VAL 101 101 19139 1 . SER 102 102 19139 1 . ASP 103 103 19139 1 . PRO 104 104 19139 1 . ASN 105 105 19139 1 . VAL 106 106 19139 1 . ASP 107 107 19139 1 . GLN 108 108 19139 1 . ILE 109 109 19139 1 . SER 110 110 19139 1 . PRO 111 111 19139 1 . GLU 112 112 19139 1 . GLY 113 113 19139 1 . ARG 114 114 19139 1 . ALA 115 115 19139 1 . ALA 116 116 19139 1 . MET 117 117 19139 1 . GLU 118 118 19139 1 . PRO 119 119 19139 1 . ILE 120 120 19139 1 . VAL 121 121 19139 1 . ILE 122 122 19139 1 . SER 123 123 19139 1 . ALA 124 124 19139 1 . LYS 125 125 19139 1 . THR 126 126 19139 1 . MET 127 127 19139 1 . LEU 128 128 19139 1 . GLU 129 129 19139 1 . SER 130 130 19139 1 . ALA 131 131 19139 1 . GLY 132 132 19139 1 . GLY 133 133 19139 1 . LEU 134 134 19139 1 . ILE 135 135 19139 1 . GLN 136 136 19139 1 . THR 137 137 19139 1 . ALA 138 138 19139 1 . ARG 139 139 19139 1 . ALA 140 140 19139 1 . LEU 141 141 19139 1 . ALA 142 142 19139 1 . VAL 143 143 19139 1 . ASN 144 144 19139 1 . PRO 145 145 19139 1 . ARG 146 146 19139 1 . ASP 147 147 19139 1 . PRO 148 148 19139 1 . PRO 149 149 19139 1 . ARG 150 150 19139 1 . TRP 151 151 19139 1 . SER 152 152 19139 1 . VAL 153 153 19139 1 . LEU 154 154 19139 1 . ALA 155 155 19139 1 . GLY 156 156 19139 1 . HIS 157 157 19139 1 . SER 158 158 19139 1 . ARG 159 159 19139 1 . THR 160 160 19139 1 . VAL 161 161 19139 1 . SER 162 162 19139 1 . ASP 163 163 19139 1 . SER 164 164 19139 1 . ILE 165 165 19139 1 . LYS 166 166 19139 1 . LYS 167 167 19139 1 . LEU 168 168 19139 1 . ILE 169 169 19139 1 . THR 170 170 19139 1 . SER 171 171 19139 1 . MET 172 172 19139 1 . ARG 173 173 19139 1 . ASP 174 174 19139 1 . LYS 175 175 19139 1 . ALA 176 176 19139 1 . PRO 177 177 19139 1 . GLY 178 178 19139 1 . GLN 179 179 19139 1 . LEU 180 180 19139 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 19139 _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.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.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $R7 . 10090 organism . 'Mus musculus' 'House mouse' . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . . . 19139 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 19139 _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_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.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $R7 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3)* . . . . . pet151-TOPO . . . 19139 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 19139 _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 R7 '[U-100% 13C; U-100% 15N]' . . 1 $R7 . . 0.8 . . mM 0.05 . . . 19139 1 2 D2O '[U-100% 2H]' . . . . . . 10 . . % 0.1 . . . 19139 1 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM 0.05 . . . 19139 1 4 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM 0.05 . . . 19139 1 5 DTT 'natural abundance' . . . . . . 2 . . mM 0.05 . . . 19139 1 6 H2O 'natural abundance' . . . . . . 90 . . % 0.1 . . . 19139 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 19139 _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' 50 0.1 mM 19139 1 pH 6.5 0.1 pH 19139 1 pressure ambient . atm 19139 1 temperature 298 0.1 K 19139 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 19139 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version 3.1 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 1 19139 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 19139 _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 19139 _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 DRX . 600 . . . 19139 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 19139 _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 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19139 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19139 1 3 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19139 1 4 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19139 1 5 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19139 1 6 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19139 1 7 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19139 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 19139 _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.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 19139 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 19139 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 19139 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 19139 _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 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err 0.2 _Assigned_chem_shift_list.Chem_shift_15N_err 0.2 _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' . . . 19139 1 2 '3D CBCA(CO)NH' . . . 19139 1 3 '3D HNCO' . . . 19139 1 5 '3D HNCACB' . . . 19139 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.Ambiguity_set_ID _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 ILE C C 13 175.813 0.20 . 1 . . . . . 2 ILE C . 19139 1 2 . 1 1 2 2 ILE CA C 13 60.858 0.20 . 1 . . . . . 2 ILE CA . 19139 1 3 . 1 1 2 2 ILE CB C 13 38.968 0.20 . 1 . . . . . 2 ILE CB . 19139 1 4 . 1 1 3 3 ASP H H 1 8.419 0.02 . 1 . . . . . 3 ASP H . 19139 1 5 . 1 1 3 3 ASP C C 13 175.019 0.20 . 1 . . . . . 3 ASP C . 19139 1 6 . 1 1 3 3 ASP CA C 13 52.048 0.20 . 1 . . . . . 3 ASP CA . 19139 1 7 . 1 1 3 3 ASP CB C 13 41.324 0.20 . 1 . . . . . 3 ASP CB . 19139 1 8 . 1 1 3 3 ASP N N 15 126.627 0.20 . 1 . . . . . 3 ASP N . 19139 1 9 . 1 1 4 4 PRO C C 13 176.843 0.20 . 1 . . . . . 4 PRO C . 19139 1 10 . 1 1 4 4 PRO CA C 13 63.366 0.20 . 1 . . . . . 4 PRO CA . 19139 1 11 . 1 1 4 4 PRO CB C 13 31.958 0.20 . 1 . . . . . 4 PRO CB . 19139 1 12 . 1 1 5 5 PHE H H 1 8.298 0.02 . 1 . . . . . 5 PHE H . 19139 1 13 . 1 1 5 5 PHE C C 13 176.507 0.20 . 1 . . . . . 5 PHE C . 19139 1 14 . 1 1 5 5 PHE CA C 13 57.957 0.20 . 1 . . . . . 5 PHE CA . 19139 1 15 . 1 1 5 5 PHE CB C 13 38.933 0.20 . 1 . . . . . 5 PHE CB . 19139 1 16 . 1 1 5 5 PHE N N 15 119.035 0.20 . 1 . . . . . 5 PHE N . 19139 1 17 . 1 1 6 6 THR H H 1 7.882 0.02 . 1 . . . . . 6 THR H . 19139 1 18 . 1 1 6 6 THR C C 13 175.190 0.20 . 1 . . . . . 6 THR C . 19139 1 19 . 1 1 6 6 THR CA C 13 62.223 0.20 . 1 . . . . . 6 THR CA . 19139 1 20 . 1 1 6 6 THR CB C 13 69.677 0.20 . 1 . . . . . 6 THR CB . 19139 1 21 . 1 1 6 6 THR N N 15 114.752 0.20 . 1 . . . . . 6 THR N . 19139 1 22 . 1 1 7 7 GLY H H 1 7.971 0.02 . 1 . . . . . 7 GLY H . 19139 1 23 . 1 1 7 7 GLY C C 13 174.024 0.20 . 1 . . . . . 7 GLY C . 19139 1 24 . 1 1 7 7 GLY CA C 13 45.427 0.20 . 1 . . . . . 7 GLY CA . 19139 1 25 . 1 1 7 7 GLY N N 15 110.843 0.20 . 1 . . . . . 7 GLY N . 19139 1 26 . 1 1 8 8 SER H H 1 8.045 0.02 . 1 . . . . . 8 SER H . 19139 1 27 . 1 1 8 8 SER C C 13 173.844 0.20 . 1 . . . . . 8 SER C . 19139 1 28 . 1 1 8 8 SER CA C 13 57.861 0.20 . 1 . . . . . 8 SER CA . 19139 1 29 . 1 1 8 8 SER CB C 13 64.100 0.20 . 1 . . . . . 8 SER CB . 19139 1 30 . 1 1 8 8 SER N N 15 115.165 0.20 . 1 . . . . . 8 SER N . 19139 1 31 . 1 1 9 9 ALA H H 1 8.283 0.02 . 1 . . . . . 9 ALA H . 19139 1 32 . 1 1 9 9 ALA CA C 13 50.689 0.20 . 1 . . . . . 9 ALA CA . 19139 1 33 . 1 1 9 9 ALA CB C 13 18.131 0.20 . 1 . . . . . 9 ALA CB . 19139 1 34 . 1 1 9 9 ALA N N 15 127.043 0.20 . 1 . . . . . 9 ALA N . 19139 1 35 . 1 1 10 10 PRO C C 13 176.452 0.20 . 1 . . . . . 10 PRO C . 19139 1 36 . 1 1 10 10 PRO CA C 13 64.357 0.20 . 1 . . . . . 10 PRO CA . 19139 1 37 . 1 1 10 10 PRO CB C 13 31.506 0.20 . 1 . . . . . 10 PRO CB . 19139 1 38 . 1 1 11 11 GLY H H 1 8.870 0.02 . 1 . . . . . 11 GLY H . 19139 1 39 . 1 1 11 11 GLY C C 13 175.021 0.20 . 1 . . . . . 11 GLY C . 19139 1 40 . 1 1 11 11 GLY CA C 13 46.263 0.20 . 1 . . . . . 11 GLY CA . 19139 1 41 . 1 1 11 11 GLY N N 15 111.927 0.20 . 1 . . . . . 11 GLY N . 19139 1 42 . 1 1 12 12 GLN H H 1 7.799 0.02 . 1 . . . . . 12 GLN H . 19139 1 43 . 1 1 12 12 GLN C C 13 177.863 0.20 . 1 . . . . . 12 GLN C . 19139 1 44 . 1 1 12 12 GLN CA C 13 59.501 0.20 . 1 . . . . . 12 GLN CA . 19139 1 45 . 1 1 12 12 GLN CB C 13 28.658 0.20 . 1 . . . . . 12 GLN CB . 19139 1 46 . 1 1 12 12 GLN N N 15 119.604 0.20 . 1 . . . . . 12 GLN N . 19139 1 47 . 1 1 13 13 LYS H H 1 8.607 0.02 . 1 . . . . . 13 LYS H . 19139 1 48 . 1 1 13 13 LYS C C 13 178.659 0.20 . 1 . . . . . 13 LYS C . 19139 1 49 . 1 1 13 13 LYS CA C 13 59.283 0.20 . 1 . . . . . 13 LYS CA . 19139 1 50 . 1 1 13 13 LYS CB C 13 31.765 0.20 . 1 . . . . . 13 LYS CB . 19139 1 51 . 1 1 13 13 LYS N N 15 120.547 0.20 . 1 . . . . . 13 LYS N . 19139 1 52 . 1 1 14 14 GLU H H 1 9.535 0.02 . 1 . . . . . 14 GLU H . 19139 1 53 . 1 1 14 14 GLU C C 13 180.337 0.20 . 1 . . . . . 14 GLU C . 19139 1 54 . 1 1 14 14 GLU CA C 13 61.104 0.20 . 1 . . . . . 14 GLU CA . 19139 1 55 . 1 1 14 14 GLU CB C 13 27.869 0.20 . 1 . . . . . 14 GLU CB . 19139 1 56 . 1 1 14 14 GLU N N 15 119.664 0.20 . 1 . . . . . 14 GLU N . 19139 1 57 . 1 1 15 15 CYS H H 1 7.737 0.02 . 1 . . . . . 15 CYS H . 19139 1 58 . 1 1 15 15 CYS C C 13 175.690 0.20 . 1 . . . . . 15 CYS C . 19139 1 59 . 1 1 15 15 CYS CA C 13 64.227 0.20 . 1 . . . . . 15 CYS CA . 19139 1 60 . 1 1 15 15 CYS CB C 13 26.786 0.20 . 1 . . . . . 15 CYS CB . 19139 1 61 . 1 1 15 15 CYS N N 15 118.091 0.20 . 1 . . . . . 15 CYS N . 19139 1 62 . 1 1 16 16 ASP H H 1 8.284 0.02 . 1 . . . . . 16 ASP H . 19139 1 63 . 1 1 16 16 ASP C C 13 179.054 0.20 . 1 . . . . . 16 ASP C . 19139 1 64 . 1 1 16 16 ASP CA C 13 57.848 0.20 . 1 . . . . . 16 ASP CA . 19139 1 65 . 1 1 16 16 ASP CB C 13 39.676 0.20 . 1 . . . . . 16 ASP CB . 19139 1 66 . 1 1 16 16 ASP N N 15 121.402 0.20 . 1 . . . . . 16 ASP N . 19139 1 67 . 1 1 17 17 ASN H H 1 8.497 0.02 . 1 . . . . . 17 ASN H . 19139 1 68 . 1 1 17 17 ASN C C 13 177.496 0.20 . 1 . . . . . 17 ASN C . 19139 1 69 . 1 1 17 17 ASN CA C 13 55.833 0.20 . 1 . . . . . 17 ASN CA . 19139 1 70 . 1 1 17 17 ASN CB C 13 37.963 0.20 . 1 . . . . . 17 ASN CB . 19139 1 71 . 1 1 17 17 ASN N N 15 118.716 0.20 . 1 . . . . . 17 ASN N . 19139 1 72 . 1 1 18 18 ALA H H 1 7.929 0.02 . 1 . . . . . 18 ALA H . 19139 1 73 . 1 1 18 18 ALA C C 13 179.232 0.20 . 1 . . . . . 18 ALA C . 19139 1 74 . 1 1 18 18 ALA CA C 13 55.044 0.20 . 1 . . . . . 18 ALA CA . 19139 1 75 . 1 1 18 18 ALA CB C 13 18.905 0.20 . 1 . . . . . 18 ALA CB . 19139 1 76 . 1 1 18 18 ALA N N 15 122.780 0.20 . 1 . . . . . 18 ALA N . 19139 1 77 . 1 1 19 19 LEU H H 1 8.163 0.02 . 1 . . . . . 19 LEU H . 19139 1 78 . 1 1 19 19 LEU C C 13 179.789 0.20 . 1 . . . . . 19 LEU C . 19139 1 79 . 1 1 19 19 LEU CA C 13 58.321 0.20 . 1 . . . . . 19 LEU CA . 19139 1 80 . 1 1 19 19 LEU CB C 13 40.980 0.20 . 1 . . . . . 19 LEU CB . 19139 1 81 . 1 1 19 19 LEU N N 15 117.174 0.20 . 1 . . . . . 19 LEU N . 19139 1 82 . 1 1 20 20 ARG H H 1 7.588 0.02 . 1 . . . . . 20 ARG H . 19139 1 83 . 1 1 20 20 ARG C C 13 179.247 0.20 . 1 . . . . . 20 ARG C . 19139 1 84 . 1 1 20 20 ARG CA C 13 58.912 0.20 . 1 . . . . . 20 ARG CA . 19139 1 85 . 1 1 20 20 ARG CB C 13 29.948 0.20 . 1 . . . . . 20 ARG CB . 19139 1 86 . 1 1 20 20 ARG N N 15 118.923 0.20 . 1 . . . . . 20 ARG N . 19139 1 87 . 1 1 21 21 GLN H H 1 8.112 0.02 . 1 . . . . . 21 GLN H . 19139 1 88 . 1 1 21 21 GLN C C 13 178.988 0.20 . 1 . . . . . 21 GLN C . 19139 1 89 . 1 1 21 21 GLN CA C 13 58.932 0.20 . 1 . . . . . 21 GLN CA . 19139 1 90 . 1 1 21 21 GLN CB C 13 28.119 0.20 . 1 . . . . . 21 GLN CB . 19139 1 91 . 1 1 21 21 GLN N N 15 120.497 0.20 . 1 . . . . . 21 GLN N . 19139 1 92 . 1 1 22 22 LEU H H 1 8.309 0.02 . 1 . . . . . 22 LEU H . 19139 1 93 . 1 1 22 22 LEU C C 13 178.927 0.20 . 1 . . . . . 22 LEU C . 19139 1 94 . 1 1 22 22 LEU CA C 13 57.442 0.20 . 1 . . . . . 22 LEU CA . 19139 1 95 . 1 1 22 22 LEU CB C 13 40.758 0.20 . 1 . . . . . 22 LEU CB . 19139 1 96 . 1 1 22 22 LEU N N 15 119.132 0.20 . 1 . . . . . 22 LEU N . 19139 1 97 . 1 1 23 23 GLU H H 1 7.684 0.02 . 1 . . . . . 23 GLU H . 19139 1 98 . 1 1 23 23 GLU C C 13 178.704 0.20 . 1 . . . . . 23 GLU C . 19139 1 99 . 1 1 23 23 GLU CA C 13 59.128 0.20 . 1 . . . . . 23 GLU CA . 19139 1 100 . 1 1 23 23 GLU CB C 13 29.470 0.20 . 1 . . . . . 23 GLU CB . 19139 1 101 . 1 1 23 23 GLU N N 15 118.520 0.20 . 1 . . . . . 23 GLU N . 19139 1 102 . 1 1 24 24 THR H H 1 7.770 0.02 . 1 . . . . . 24 THR H . 19139 1 103 . 1 1 24 24 THR C C 13 177.458 0.20 . 1 . . . . . 24 THR C . 19139 1 104 . 1 1 24 24 THR CA C 13 66.161 0.20 . 1 . . . . . 24 THR CA . 19139 1 105 . 1 1 24 24 THR CB C 13 68.953 0.20 . 1 . . . . . 24 THR CB . 19139 1 106 . 1 1 24 24 THR N N 15 114.743 0.20 . 1 . . . . . 24 THR N . 19139 1 107 . 1 1 25 25 VAL H H 1 8.146 0.02 . 1 . . . . . 25 VAL H . 19139 1 108 . 1 1 25 25 VAL C C 13 177.030 0.20 . 1 . . . . . 25 VAL C . 19139 1 109 . 1 1 25 25 VAL CA C 13 64.583 0.20 . 1 . . . . . 25 VAL CA . 19139 1 110 . 1 1 25 25 VAL CB C 13 31.536 0.20 . 1 . . . . . 25 VAL CB . 19139 1 111 . 1 1 25 25 VAL N N 15 119.725 0.20 . 1 . . . . . 25 VAL N . 19139 1 112 . 1 1 26 26 ARG H H 1 7.494 0.02 . 1 . . . . . 26 ARG H . 19139 1 113 . 1 1 26 26 ARG C C 13 178.297 0.20 . 1 . . . . . 26 ARG C . 19139 1 114 . 1 1 26 26 ARG CA C 13 58.638 0.20 . 1 . . . . . 26 ARG CA . 19139 1 115 . 1 1 26 26 ARG CB C 13 29.801 0.20 . 1 . . . . . 26 ARG CB . 19139 1 116 . 1 1 26 26 ARG N N 15 120.403 0.20 . 1 . . . . . 26 ARG N . 19139 1 117 . 1 1 27 27 GLU H H 1 7.287 0.02 . 1 . . . . . 27 GLU H . 19139 1 118 . 1 1 27 27 GLU C C 13 178.853 0.20 . 1 . . . . . 27 GLU C . 19139 1 119 . 1 1 27 27 GLU CA C 13 58.475 0.20 . 1 . . . . . 27 GLU CA . 19139 1 120 . 1 1 27 27 GLU CB C 13 29.505 0.20 . 1 . . . . . 27 GLU CB . 19139 1 121 . 1 1 27 27 GLU N N 15 116.873 0.20 . 1 . . . . . 27 GLU N . 19139 1 122 . 1 1 28 28 LEU H H 1 7.779 0.02 . 1 . . . . . 28 LEU H . 19139 1 123 . 1 1 28 28 LEU C C 13 177.788 0.20 . 1 . . . . . 28 LEU C . 19139 1 124 . 1 1 28 28 LEU CA C 13 56.847 0.20 . 1 . . . . . 28 LEU CA . 19139 1 125 . 1 1 28 28 LEU CB C 13 42.235 0.20 . 1 . . . . . 28 LEU CB . 19139 1 126 . 1 1 28 28 LEU N N 15 117.065 0.20 . 1 . . . . . 28 LEU N . 19139 1 127 . 1 1 29 29 LEU H H 1 7.199 0.02 . 1 . . . . . 29 LEU H . 19139 1 128 . 1 1 29 29 LEU C C 13 176.482 0.20 . 1 . . . . . 29 LEU C . 19139 1 129 . 1 1 29 29 LEU CA C 13 53.894 0.20 . 1 . . . . . 29 LEU CA . 19139 1 130 . 1 1 29 29 LEU CB C 13 42.476 0.20 . 1 . . . . . 29 LEU CB . 19139 1 131 . 1 1 29 29 LEU N N 15 111.645 0.20 . 1 . . . . . 29 LEU N . 19139 1 132 . 1 1 30 30 GLU H H 1 7.113 0.02 . 1 . . . . . 30 GLU H . 19139 1 133 . 1 1 30 30 GLU C C 13 177.245 0.20 . 1 . . . . . 30 GLU C . 19139 1 134 . 1 1 30 30 GLU CA C 13 57.979 0.20 . 1 . . . . . 30 GLU CA . 19139 1 135 . 1 1 30 30 GLU CB C 13 29.780 0.20 . 1 . . . . . 30 GLU CB . 19139 1 136 . 1 1 30 30 GLU N N 15 116.863 0.20 . 1 . . . . . 30 GLU N . 19139 1 137 . 1 1 31 31 ASN H H 1 8.436 0.02 . 1 . . . . . 31 ASN H . 19139 1 138 . 1 1 31 31 ASN CA C 13 51.985 0.20 . 1 . . . . . 31 ASN CA . 19139 1 139 . 1 1 31 31 ASN CB C 13 38.898 0.20 . 1 . . . . . 31 ASN CB . 19139 1 140 . 1 1 31 31 ASN N N 15 114.537 0.20 . 1 . . . . . 31 ASN N . 19139 1 141 . 1 1 32 32 PRO C C 13 174.078 0.20 . 1 . . . . . 32 PRO C . 19139 1 142 . 1 1 32 32 PRO CA C 13 63.079 0.20 . 1 . . . . . 32 PRO CA . 19139 1 143 . 1 1 32 32 PRO CB C 13 28.013 0.20 . 1 . . . . . 32 PRO CB . 19139 1 144 . 1 1 33 33 VAL H H 1 8.206 0.02 . 1 . . . . . 33 VAL H . 19139 1 145 . 1 1 33 33 VAL C C 13 174.605 0.20 . 1 . . . . . 33 VAL C . 19139 1 146 . 1 1 33 33 VAL CA C 13 60.785 0.20 . 1 . . . . . 33 VAL CA . 19139 1 147 . 1 1 33 33 VAL CB C 13 32.424 0.20 . 1 . . . . . 33 VAL CB . 19139 1 148 . 1 1 33 33 VAL N N 15 114.351 0.20 . 1 . . . . . 33 VAL N . 19139 1 149 . 1 1 34 34 GLN H H 1 7.567 0.02 . 1 . . . . . 34 GLN H . 19139 1 150 . 1 1 34 34 GLN CA C 13 52.289 0.20 . 1 . . . . . 34 GLN CA . 19139 1 151 . 1 1 34 34 GLN CB C 13 30.069 0.20 . 1 . . . . . 34 GLN CB . 19139 1 152 . 1 1 34 34 GLN N N 15 119.479 0.20 . 1 . . . . . 34 GLN N . 19139 1 153 . 1 1 35 35 PRO C C 13 177.024 0.20 . 1 . . . . . 35 PRO C . 19139 1 154 . 1 1 35 35 PRO CA C 13 62.531 0.20 . 1 . . . . . 35 PRO CA . 19139 1 155 . 1 1 35 35 PRO CB C 13 31.417 0.20 . 1 . . . . . 35 PRO CB . 19139 1 156 . 1 1 36 36 ILE H H 1 8.464 0.02 . 1 . . . . . 36 ILE H . 19139 1 157 . 1 1 36 36 ILE C C 13 176.063 0.20 . 1 . . . . . 36 ILE C . 19139 1 158 . 1 1 36 36 ILE CA C 13 60.675 0.20 . 1 . . . . . 36 ILE CA . 19139 1 159 . 1 1 36 36 ILE CB C 13 38.922 0.20 . 1 . . . . . 36 ILE CB . 19139 1 160 . 1 1 36 36 ILE N N 15 120.324 0.20 . 1 . . . . . 36 ILE N . 19139 1 161 . 1 1 37 37 ASN H H 1 7.701 0.02 . 1 . . . . . 37 ASN H . 19139 1 162 . 1 1 37 37 ASN C C 13 173.725 0.20 . 1 . . . . . 37 ASN C . 19139 1 163 . 1 1 37 37 ASN CA C 13 52.371 0.20 . 1 . . . . . 37 ASN CA . 19139 1 164 . 1 1 37 37 ASN CB C 13 37.747 0.20 . 1 . . . . . 37 ASN CB . 19139 1 165 . 1 1 37 37 ASN N N 15 118.371 0.20 . 1 . . . . . 37 ASN N . 19139 1 166 . 1 1 38 38 ASP H H 1 7.895 0.02 . 1 . . . . . 38 ASP H . 19139 1 167 . 1 1 38 38 ASP C C 13 177.127 0.20 . 1 . . . . . 38 ASP C . 19139 1 168 . 1 1 38 38 ASP CA C 13 52.933 0.20 . 1 . . . . . 38 ASP CA . 19139 1 169 . 1 1 38 38 ASP CB C 13 40.882 0.20 . 1 . . . . . 38 ASP CB . 19139 1 170 . 1 1 38 38 ASP N N 15 114.834 0.20 . 1 . . . . . 38 ASP N . 19139 1 171 . 1 1 39 39 MET H H 1 8.353 0.02 . 1 . . . . . 39 MET H . 19139 1 172 . 1 1 39 39 MET C C 13 178.111 0.20 . 1 . . . . . 39 MET C . 19139 1 173 . 1 1 39 39 MET CA C 13 58.007 0.20 . 1 . . . . . 39 MET CA . 19139 1 174 . 1 1 39 39 MET CB C 13 34.614 0.20 . 1 . . . . . 39 MET CB . 19139 1 175 . 1 1 39 39 MET N N 15 121.014 0.20 . 1 . . . . . 39 MET N . 19139 1 176 . 1 1 40 40 SER H H 1 8.526 0.02 . 1 . . . . . 40 SER H . 19139 1 177 . 1 1 40 40 SER C C 13 175.547 0.20 . 1 . . . . . 40 SER C . 19139 1 178 . 1 1 40 40 SER CA C 13 56.488 0.20 . 1 . . . . . 40 SER CA . 19139 1 179 . 1 1 40 40 SER CB C 13 65.421 0.20 . 1 . . . . . 40 SER CB . 19139 1 180 . 1 1 40 40 SER N N 15 117.232 0.20 . 1 . . . . . 40 SER N . 19139 1 181 . 1 1 41 41 TYR H H 1 9.535 0.02 . 1 . . . . . 41 TYR H . 19139 1 182 . 1 1 41 41 TYR C C 13 177.955 0.20 . 1 . . . . . 41 TYR C . 19139 1 183 . 1 1 41 41 TYR CA C 13 64.228 0.20 . 1 . . . . . 41 TYR CA . 19139 1 184 . 1 1 41 41 TYR CB C 13 38.508 0.20 . 1 . . . . . 41 TYR CB . 19139 1 185 . 1 1 41 41 TYR N N 15 123.835 0.20 . 1 . . . . . 41 TYR N . 19139 1 186 . 1 1 42 42 PHE H H 1 7.954 0.02 . 1 . . . . . 42 PHE H . 19139 1 187 . 1 1 42 42 PHE C C 13 178.313 0.20 . 1 . . . . . 42 PHE C . 19139 1 188 . 1 1 42 42 PHE CA C 13 61.326 0.20 . 1 . . . . . 42 PHE CA . 19139 1 189 . 1 1 42 42 PHE CB C 13 37.769 0.20 . 1 . . . . . 42 PHE CB . 19139 1 190 . 1 1 42 42 PHE N N 15 114.956 0.20 . 1 . . . . . 42 PHE N . 19139 1 191 . 1 1 43 43 GLY H H 1 8.073 0.02 . 1 . . . . . 43 GLY H . 19139 1 192 . 1 1 43 43 GLY C C 13 177.203 0.20 . 1 . . . . . 43 GLY C . 19139 1 193 . 1 1 43 43 GLY CA C 13 47.200 0.20 . 1 . . . . . 43 GLY CA . 19139 1 194 . 1 1 43 43 GLY N N 15 110.241 0.20 . 1 . . . . . 43 GLY N . 19139 1 195 . 1 1 44 44 CYS H H 1 8.139 0.02 . 1 . . . . . 44 CYS H . 19139 1 196 . 1 1 44 44 CYS C C 13 177.065 0.20 . 1 . . . . . 44 CYS C . 19139 1 197 . 1 1 44 44 CYS CA C 13 63.748 0.20 . 1 . . . . . 44 CYS CA . 19139 1 198 . 1 1 44 44 CYS CB C 13 26.514 0.20 . 1 . . . . . 44 CYS CB . 19139 1 199 . 1 1 44 44 CYS N N 15 122.852 0.20 . 1 . . . . . 44 CYS N . 19139 1 200 . 1 1 45 45 LEU H H 1 7.513 0.02 . 1 . . . . . 45 LEU H . 19139 1 201 . 1 1 45 45 LEU C C 13 178.134 0.20 . 1 . . . . . 45 LEU C . 19139 1 202 . 1 1 45 45 LEU CA C 13 57.678 0.20 . 1 . . . . . 45 LEU CA . 19139 1 203 . 1 1 45 45 LEU CB C 13 41.651 0.20 . 1 . . . . . 45 LEU CB . 19139 1 204 . 1 1 45 45 LEU N N 15 120.707 0.20 . 1 . . . . . 45 LEU N . 19139 1 205 . 1 1 46 46 ASP H H 1 8.302 0.02 . 1 . . . . . 46 ASP H . 19139 1 206 . 1 1 46 46 ASP C C 13 178.869 0.20 . 1 . . . . . 46 ASP C . 19139 1 207 . 1 1 46 46 ASP CA C 13 57.513 0.20 . 1 . . . . . 46 ASP CA . 19139 1 208 . 1 1 46 46 ASP CB C 13 40.287 0.20 . 1 . . . . . 46 ASP CB . 19139 1 209 . 1 1 46 46 ASP N N 15 119.662 0.20 . 1 . . . . . 46 ASP N . 19139 1 210 . 1 1 47 47 SER H H 1 7.905 0.02 . 1 . . . . . 47 SER H . 19139 1 211 . 1 1 47 47 SER C C 13 178.739 0.20 . 1 . . . . . 47 SER C . 19139 1 212 . 1 1 47 47 SER CA C 13 60.787 0.20 . 1 . . . . . 47 SER CA . 19139 1 213 . 1 1 47 47 SER CB C 13 63.224 0.20 . 1 . . . . . 47 SER CB . 19139 1 214 . 1 1 47 47 SER N N 15 113.439 0.20 . 1 . . . . . 47 SER N . 19139 1 215 . 1 1 48 48 VAL H H 1 8.101 0.02 . 1 . . . . . 48 VAL H . 19139 1 216 . 1 1 48 48 VAL C C 13 178.103 0.20 . 1 . . . . . 48 VAL C . 19139 1 217 . 1 1 48 48 VAL CA C 13 66.094 0.20 . 1 . . . . . 48 VAL CA . 19139 1 218 . 1 1 48 48 VAL CB C 13 31.038 0.20 . 1 . . . . . 48 VAL CB . 19139 1 219 . 1 1 48 48 VAL N N 15 117.231 0.20 . 1 . . . . . 48 VAL N . 19139 1 220 . 1 1 49 49 MET H H 1 7.901 0.02 . 1 . . . . . 49 MET H . 19139 1 221 . 1 1 49 49 MET C C 13 179.763 0.20 . 1 . . . . . 49 MET C . 19139 1 222 . 1 1 49 49 MET CA C 13 58.299 0.20 . 1 . . . . . 49 MET CA . 19139 1 223 . 1 1 49 49 MET CB C 13 30.571 0.20 . 1 . . . . . 49 MET CB . 19139 1 224 . 1 1 49 49 MET N N 15 120.507 0.20 . 1 . . . . . 49 MET N . 19139 1 225 . 1 1 50 50 GLU H H 1 8.181 0.02 . 1 . . . . . 50 GLU H . 19139 1 226 . 1 1 50 50 GLU C C 13 179.401 0.20 . 1 . . . . . 50 GLU C . 19139 1 227 . 1 1 50 50 GLU CA C 13 59.305 0.20 . 1 . . . . . 50 GLU CA . 19139 1 228 . 1 1 50 50 GLU CB C 13 29.415 0.20 . 1 . . . . . 50 GLU CB . 19139 1 229 . 1 1 50 50 GLU N N 15 121.654 0.20 . 1 . . . . . 50 GLU N . 19139 1 230 . 1 1 51 51 ASN H H 1 8.528 0.02 . 1 . . . . . 51 ASN H . 19139 1 231 . 1 1 51 51 ASN C C 13 177.500 0.20 . 1 . . . . . 51 ASN C . 19139 1 232 . 1 1 51 51 ASN CA C 13 56.893 0.20 . 1 . . . . . 51 ASN CA . 19139 1 233 . 1 1 51 51 ASN CB C 13 38.132 0.20 . 1 . . . . . 51 ASN CB . 19139 1 234 . 1 1 51 51 ASN N N 15 116.425 0.20 . 1 . . . . . 51 ASN N . 19139 1 235 . 1 1 52 52 SER H H 1 8.241 0.02 . 1 . . . . . 52 SER H . 19139 1 236 . 1 1 52 52 SER C C 13 176.736 0.20 . 1 . . . . . 52 SER C . 19139 1 237 . 1 1 52 52 SER CA C 13 62.789 0.20 . 1 . . . . . 52 SER CA . 19139 1 238 . 1 1 52 52 SER CB C 13 62.782 0.20 . 1 . . . . . 52 SER CB . 19139 1 239 . 1 1 52 52 SER N N 15 117.423 0.20 . 1 . . . . . 52 SER N . 19139 1 240 . 1 1 53 53 LYS H H 1 7.199 0.02 . 1 . . . . . 53 LYS H . 19139 1 241 . 1 1 53 53 LYS C C 13 179.197 0.20 . 1 . . . . . 53 LYS C . 19139 1 242 . 1 1 53 53 LYS CA C 13 59.284 0.20 . 1 . . . . . 53 LYS CA . 19139 1 243 . 1 1 53 53 LYS CB C 13 32.150 0.20 . 1 . . . . . 53 LYS CB . 19139 1 244 . 1 1 53 53 LYS N N 15 123.789 0.20 . 1 . . . . . 53 LYS N . 19139 1 245 . 1 1 54 54 VAL H H 1 7.414 0.02 . 1 . . . . . 54 VAL H . 19139 1 246 . 1 1 54 54 VAL C C 13 178.710 0.20 . 1 . . . . . 54 VAL C . 19139 1 247 . 1 1 54 54 VAL CA C 13 65.783 0.20 . 1 . . . . . 54 VAL CA . 19139 1 248 . 1 1 54 54 VAL CB C 13 32.397 0.20 . 1 . . . . . 54 VAL CB . 19139 1 249 . 1 1 54 54 VAL N N 15 119.634 0.20 . 1 . . . . . 54 VAL N . 19139 1 250 . 1 1 55 55 LEU H H 1 8.704 0.02 . 1 . . . . . 55 LEU H . 19139 1 251 . 1 1 55 55 LEU C C 13 178.269 0.20 . 1 . . . . . 55 LEU C . 19139 1 252 . 1 1 55 55 LEU CA C 13 57.645 0.20 . 1 . . . . . 55 LEU CA . 19139 1 253 . 1 1 55 55 LEU CB C 13 41.721 0.20 . 1 . . . . . 55 LEU CB . 19139 1 254 . 1 1 55 55 LEU N N 15 119.285 0.20 . 1 . . . . . 55 LEU N . 19139 1 255 . 1 1 56 56 GLY H H 1 8.026 0.02 . 1 . . . . . 56 GLY H . 19139 1 256 . 1 1 56 56 GLY C C 13 176.703 0.20 . 1 . . . . . 56 GLY C . 19139 1 257 . 1 1 56 56 GLY CA C 13 47.693 0.20 . 1 . . . . . 56 GLY CA . 19139 1 258 . 1 1 56 56 GLY N N 15 105.618 0.20 . 1 . . . . . 56 GLY N . 19139 1 259 . 1 1 57 57 GLU H H 1 7.467 0.02 . 1 . . . . . 57 GLU H . 19139 1 260 . 1 1 57 57 GLU C C 13 179.465 0.20 . 1 . . . . . 57 GLU C . 19139 1 261 . 1 1 57 57 GLU CA C 13 58.883 0.20 . 1 . . . . . 57 GLU CA . 19139 1 262 . 1 1 57 57 GLU CB C 13 29.401 0.20 . 1 . . . . . 57 GLU CB . 19139 1 263 . 1 1 57 57 GLU N N 15 120.762 0.20 . 1 . . . . . 57 GLU N . 19139 1 264 . 1 1 58 58 ALA H H 1 8.424 0.02 . 1 . . . . . 58 ALA H . 19139 1 265 . 1 1 58 58 ALA C C 13 179.769 0.20 . 1 . . . . . 58 ALA C . 19139 1 266 . 1 1 58 58 ALA CA C 13 55.021 0.20 . 1 . . . . . 58 ALA CA . 19139 1 267 . 1 1 58 58 ALA CB C 13 17.832 0.20 . 1 . . . . . 58 ALA CB . 19139 1 268 . 1 1 58 58 ALA N N 15 123.925 0.20 . 1 . . . . . 58 ALA N . 19139 1 269 . 1 1 59 59 MET H H 1 8.854 0.02 . 1 . . . . . 59 MET H . 19139 1 270 . 1 1 59 59 MET C C 13 179.347 0.20 . 1 . . . . . 59 MET C . 19139 1 271 . 1 1 59 59 MET CA C 13 60.472 0.20 . 1 . . . . . 59 MET CA . 19139 1 272 . 1 1 59 59 MET CB C 13 33.073 0.20 . 1 . . . . . 59 MET CB . 19139 1 273 . 1 1 59 59 MET N N 15 116.294 0.20 . 1 . . . . . 59 MET N . 19139 1 274 . 1 1 60 60 THR H H 1 7.575 0.02 . 1 . . . . . 60 THR H . 19139 1 275 . 1 1 60 60 THR C C 13 175.962 0.20 . 1 . . . . . 60 THR C . 19139 1 276 . 1 1 60 60 THR CA C 13 66.445 0.20 . 1 . . . . . 60 THR CA . 19139 1 277 . 1 1 60 60 THR CB C 13 68.152 0.20 . 1 . . . . . 60 THR CB . 19139 1 278 . 1 1 60 60 THR N N 15 117.738 0.20 . 1 . . . . . 60 THR N . 19139 1 279 . 1 1 61 61 GLY H H 1 7.982 0.02 . 1 . . . . . 61 GLY H . 19139 1 280 . 1 1 61 61 GLY C C 13 176.938 0.20 . 1 . . . . . 61 GLY C . 19139 1 281 . 1 1 61 61 GLY CA C 13 47.236 0.20 . 1 . . . . . 61 GLY CA . 19139 1 282 . 1 1 61 61 GLY N N 15 109.991 0.20 . 1 . . . . . 61 GLY N . 19139 1 283 . 1 1 62 62 ILE H H 1 8.802 0.02 . 1 . . . . . 62 ILE H . 19139 1 284 . 1 1 62 62 ILE C C 13 176.714 0.20 . 1 . . . . . 62 ILE C . 19139 1 285 . 1 1 62 62 ILE CA C 13 66.227 0.20 . 1 . . . . . 62 ILE CA . 19139 1 286 . 1 1 62 62 ILE CB C 13 38.511 0.20 . 1 . . . . . 62 ILE CB . 19139 1 287 . 1 1 62 62 ILE N N 15 124.491 0.20 . 1 . . . . . 62 ILE N . 19139 1 288 . 1 1 63 63 SER H H 1 7.366 0.02 . 1 . . . . . 63 SER H . 19139 1 289 . 1 1 63 63 SER C C 13 176.699 0.20 . 1 . . . . . 63 SER C . 19139 1 290 . 1 1 63 63 SER CA C 13 62.265 0.20 . 1 . . . . . 63 SER CA . 19139 1 291 . 1 1 63 63 SER CB C 13 63.187 0.20 . 1 . . . . . 63 SER CB . 19139 1 292 . 1 1 63 63 SER N N 15 111.941 0.20 . 1 . . . . . 63 SER N . 19139 1 293 . 1 1 64 64 GLN H H 1 8.763 0.02 . 1 . . . . . 64 GLN H . 19139 1 294 . 1 1 64 64 GLN C C 13 178.568 0.20 . 1 . . . . . 64 GLN C . 19139 1 295 . 1 1 64 64 GLN CA C 13 59.010 0.20 . 1 . . . . . 64 GLN CA . 19139 1 296 . 1 1 64 64 GLN CB C 13 29.194 0.20 . 1 . . . . . 64 GLN CB . 19139 1 297 . 1 1 64 64 GLN N N 15 118.519 0.20 . 1 . . . . . 64 GLN N . 19139 1 298 . 1 1 65 65 ASN H H 1 8.119 0.02 . 1 . . . . . 65 ASN H . 19139 1 299 . 1 1 65 65 ASN C C 13 177.364 0.20 . 1 . . . . . 65 ASN C . 19139 1 300 . 1 1 65 65 ASN CA C 13 56.647 0.20 . 1 . . . . . 65 ASN CA . 19139 1 301 . 1 1 65 65 ASN CB C 13 38.418 0.20 . 1 . . . . . 65 ASN CB . 19139 1 302 . 1 1 65 65 ASN N N 15 113.671 0.20 . 1 . . . . . 65 ASN N . 19139 1 303 . 1 1 66 66 ALA H H 1 7.979 0.02 . 1 . . . . . 66 ALA H . 19139 1 304 . 1 1 66 66 ALA C C 13 179.058 0.20 . 1 . . . . . 66 ALA C . 19139 1 305 . 1 1 66 66 ALA CA C 13 55.226 0.20 . 1 . . . . . 66 ALA CA . 19139 1 306 . 1 1 66 66 ALA CB C 13 17.121 0.20 . 1 . . . . . 66 ALA CB . 19139 1 307 . 1 1 66 66 ALA N N 15 121.247 0.20 . 1 . . . . . 66 ALA N . 19139 1 308 . 1 1 67 67 LYS H H 1 7.847 0.02 . 1 . . . . . 67 LYS H . 19139 1 309 . 1 1 67 67 LYS C C 13 177.776 0.20 . 1 . . . . . 67 LYS C . 19139 1 310 . 1 1 67 67 LYS CA C 13 59.611 0.20 . 1 . . . . . 67 LYS CA . 19139 1 311 . 1 1 67 67 LYS CB C 13 32.348 0.20 . 1 . . . . . 67 LYS CB . 19139 1 312 . 1 1 67 67 LYS N N 15 116.243 0.20 . 1 . . . . . 67 LYS N . 19139 1 313 . 1 1 68 68 ASN H H 1 7.675 0.02 . 1 . . . . . 68 ASN H . 19139 1 314 . 1 1 68 68 ASN C C 13 175.870 0.20 . 1 . . . . . 68 ASN C . 19139 1 315 . 1 1 68 68 ASN CA C 13 52.840 0.20 . 1 . . . . . 68 ASN CA . 19139 1 316 . 1 1 68 68 ASN CB C 13 38.916 0.20 . 1 . . . . . 68 ASN CB . 19139 1 317 . 1 1 68 68 ASN N N 15 112.790 0.20 . 1 . . . . . 68 ASN N . 19139 1 318 . 1 1 69 69 GLY H H 1 7.480 0.02 . 1 . . . . . 69 GLY H . 19139 1 319 . 1 1 69 69 GLY C C 13 174.330 0.20 . 1 . . . . . 69 GLY C . 19139 1 320 . 1 1 69 69 GLY CA C 13 46.662 0.20 . 1 . . . . . 69 GLY CA . 19139 1 321 . 1 1 69 69 GLY N N 15 108.542 0.20 . 1 . . . . . 69 GLY N . 19139 1 322 . 1 1 70 70 ASN H H 1 8.214 0.02 . 1 . . . . . 70 ASN H . 19139 1 323 . 1 1 70 70 ASN C C 13 174.830 0.20 . 1 . . . . . 70 ASN C . 19139 1 324 . 1 1 70 70 ASN CA C 13 51.175 0.20 . 1 . . . . . 70 ASN CA . 19139 1 325 . 1 1 70 70 ASN CB C 13 37.108 0.20 . 1 . . . . . 70 ASN CB . 19139 1 326 . 1 1 70 70 ASN N N 15 119.903 0.20 . 1 . . . . . 70 ASN N . 19139 1 327 . 1 1 71 71 LEU H H 1 8.221 0.02 . 1 . . . . . 71 LEU H . 19139 1 328 . 1 1 71 71 LEU CA C 13 58.278 0.20 . 1 . . . . . 71 LEU CA . 19139 1 329 . 1 1 71 71 LEU CB C 13 38.409 0.20 . 1 . . . . . 71 LEU CB . 19139 1 330 . 1 1 71 71 LEU N N 15 123.732 0.20 . 1 . . . . . 71 LEU N . 19139 1 331 . 1 1 72 72 PRO C C 13 179.240 0.20 . 1 . . . . . 72 PRO C . 19139 1 332 . 1 1 72 72 PRO CA C 13 66.331 0.20 . 1 . . . . . 72 PRO CA . 19139 1 333 . 1 1 72 72 PRO CB C 13 31.266 0.20 . 1 . . . . . 72 PRO CB . 19139 1 334 . 1 1 73 73 GLU H H 1 8.179 0.02 . 1 . . . . . 73 GLU H . 19139 1 335 . 1 1 73 73 GLU C C 13 179.788 0.20 . 1 . . . . . 73 GLU C . 19139 1 336 . 1 1 73 73 GLU CA C 13 60.229 0.20 . 1 . . . . . 73 GLU CA . 19139 1 337 . 1 1 73 73 GLU CB C 13 28.098 0.20 . 1 . . . . . 73 GLU CB . 19139 1 338 . 1 1 73 73 GLU N N 15 117.325 0.20 . 1 . . . . . 73 GLU N . 19139 1 339 . 1 1 74 74 PHE H H 1 8.393 0.02 . 1 . . . . . 74 PHE H . 19139 1 340 . 1 1 74 74 PHE C C 13 175.885 0.20 . 1 . . . . . 74 PHE C . 19139 1 341 . 1 1 74 74 PHE CA C 13 61.839 0.20 . 1 . . . . . 74 PHE CA . 19139 1 342 . 1 1 74 74 PHE CB C 13 39.038 0.20 . 1 . . . . . 74 PHE CB . 19139 1 343 . 1 1 74 74 PHE N N 15 122.425 0.20 . 1 . . . . . 74 PHE N . 19139 1 344 . 1 1 75 75 GLY H H 1 8.591 0.02 . 1 . . . . . 75 GLY H . 19139 1 345 . 1 1 75 75 GLY C C 13 175.645 0.20 . 1 . . . . . 75 GLY C . 19139 1 346 . 1 1 75 75 GLY CA C 13 47.353 0.20 . 1 . . . . . 75 GLY CA . 19139 1 347 . 1 1 75 75 GLY N N 15 106.546 0.20 . 1 . . . . . 75 GLY N . 19139 1 348 . 1 1 76 76 ASP H H 1 7.831 0.02 . 1 . . . . . 76 ASP H . 19139 1 349 . 1 1 76 76 ASP C C 13 178.397 0.20 . 1 . . . . . 76 ASP C . 19139 1 350 . 1 1 76 76 ASP CA C 13 57.134 0.20 . 1 . . . . . 76 ASP CA . 19139 1 351 . 1 1 76 76 ASP CB C 13 40.798 0.20 . 1 . . . . . 76 ASP CB . 19139 1 352 . 1 1 76 76 ASP N N 15 121.068 0.20 . 1 . . . . . 76 ASP N . 19139 1 353 . 1 1 77 77 ALA H H 1 7.872 0.02 . 1 . . . . . 77 ALA H . 19139 1 354 . 1 1 77 77 ALA C C 13 179.453 0.20 . 1 . . . . . 77 ALA C . 19139 1 355 . 1 1 77 77 ALA CA C 13 55.445 0.20 . 1 . . . . . 77 ALA CA . 19139 1 356 . 1 1 77 77 ALA CB C 13 17.513 0.20 . 1 . . . . . 77 ALA CB . 19139 1 357 . 1 1 77 77 ALA N N 15 125.085 0.20 . 1 . . . . . 77 ALA N . 19139 1 358 . 1 1 78 78 ILE H H 1 7.899 0.02 . 1 . . . . . 78 ILE H . 19139 1 359 . 1 1 78 78 ILE C C 13 177.687 0.20 . 1 . . . . . 78 ILE C . 19139 1 360 . 1 1 78 78 ILE CA C 13 62.039 0.20 . 1 . . . . . 78 ILE CA . 19139 1 361 . 1 1 78 78 ILE CB C 13 34.714 0.20 . 1 . . . . . 78 ILE CB . 19139 1 362 . 1 1 78 78 ILE N N 15 119.844 0.20 . 1 . . . . . 78 ILE N . 19139 1 363 . 1 1 79 79 ALA H H 1 8.043 0.02 . 1 . . . . . 79 ALA H . 19139 1 364 . 1 1 79 79 ALA C C 13 181.258 0.20 . 1 . . . . . 79 ALA C . 19139 1 365 . 1 1 79 79 ALA CA C 13 55.108 0.20 . 1 . . . . . 79 ALA CA . 19139 1 366 . 1 1 79 79 ALA CB C 13 18.005 0.20 . 1 . . . . . 79 ALA CB . 19139 1 367 . 1 1 79 79 ALA N N 15 122.203 0.20 . 1 . . . . . 79 ALA N . 19139 1 368 . 1 1 80 80 THR H H 1 8.465 0.02 . 1 . . . . . 80 THR H . 19139 1 369 . 1 1 80 80 THR C C 13 176.307 0.20 . 1 . . . . . 80 THR C . 19139 1 370 . 1 1 80 80 THR CA C 13 66.793 0.20 . 1 . . . . . 80 THR CA . 19139 1 371 . 1 1 80 80 THR CB C 13 67.853 0.20 . 1 . . . . . 80 THR CB . 19139 1 372 . 1 1 80 80 THR N N 15 118.127 0.20 . 1 . . . . . 80 THR N . 19139 1 373 . 1 1 81 81 ALA H H 1 8.595 0.02 . 1 . . . . . 81 ALA H . 19139 1 374 . 1 1 81 81 ALA C C 13 178.746 0.20 . 1 . . . . . 81 ALA C . 19139 1 375 . 1 1 81 81 ALA CA C 13 55.405 0.20 . 1 . . . . . 81 ALA CA . 19139 1 376 . 1 1 81 81 ALA CB C 13 17.111 0.20 . 1 . . . . . 81 ALA CB . 19139 1 377 . 1 1 81 81 ALA N N 15 124.134 0.20 . 1 . . . . . 81 ALA N . 19139 1 378 . 1 1 82 82 SER H H 1 8.493 0.02 . 1 . . . . . 82 SER H . 19139 1 379 . 1 1 82 82 SER C C 13 176.809 0.20 . 1 . . . . . 82 SER C . 19139 1 380 . 1 1 82 82 SER CA C 13 62.040 0.20 . 1 . . . . . 82 SER CA . 19139 1 381 . 1 1 82 82 SER CB C 13 63.248 0.20 . 1 . . . . . 82 SER CB . 19139 1 382 . 1 1 82 82 SER N N 15 111.636 0.20 . 1 . . . . . 82 SER N . 19139 1 383 . 1 1 83 83 LYS H H 1 7.854 0.02 . 1 . . . . . 83 LYS H . 19139 1 384 . 1 1 83 83 LYS C C 13 179.833 0.20 . 1 . . . . . 83 LYS C . 19139 1 385 . 1 1 83 83 LYS CA C 13 59.877 0.20 . 1 . . . . . 83 LYS CA . 19139 1 386 . 1 1 83 83 LYS CB C 13 32.106 0.20 . 1 . . . . . 83 LYS CB . 19139 1 387 . 1 1 83 83 LYS N N 15 121.588 0.20 . 1 . . . . . 83 LYS N . 19139 1 388 . 1 1 84 84 ALA H H 1 8.075 0.02 . 1 . . . . . 84 ALA H . 19139 1 389 . 1 1 84 84 ALA C C 13 179.551 0.20 . 1 . . . . . 84 ALA C . 19139 1 390 . 1 1 84 84 ALA CA C 13 54.628 0.20 . 1 . . . . . 84 ALA CA . 19139 1 391 . 1 1 84 84 ALA CB C 13 18.242 0.20 . 1 . . . . . 84 ALA CB . 19139 1 392 . 1 1 84 84 ALA N N 15 122.933 0.20 . 1 . . . . . 84 ALA N . 19139 1 393 . 1 1 85 85 LEU H H 1 8.758 0.02 . 1 . . . . . 85 LEU H . 19139 1 394 . 1 1 85 85 LEU C C 13 180.585 0.20 . 1 . . . . . 85 LEU C . 19139 1 395 . 1 1 85 85 LEU CA C 13 58.650 0.20 . 1 . . . . . 85 LEU CA . 19139 1 396 . 1 1 85 85 LEU CB C 13 42.209 0.20 . 1 . . . . . 85 LEU CB . 19139 1 397 . 1 1 85 85 LEU N N 15 119.107 0.20 . 1 . . . . . 85 LEU N . 19139 1 398 . 1 1 86 86 CYS H H 1 8.579 0.02 . 1 . . . . . 86 CYS H . 19139 1 399 . 1 1 86 86 CYS C C 13 176.528 0.20 . 1 . . . . . 86 CYS C . 19139 1 400 . 1 1 86 86 CYS CA C 13 64.655 0.20 . 1 . . . . . 86 CYS CA . 19139 1 401 . 1 1 86 86 CYS CB C 13 26.274 0.20 . 1 . . . . . 86 CYS CB . 19139 1 402 . 1 1 86 86 CYS N N 15 121.257 0.20 . 1 . . . . . 86 CYS N . 19139 1 403 . 1 1 87 87 GLY H H 1 8.185 0.02 . 1 . . . . . 87 GLY H . 19139 1 404 . 1 1 87 87 GLY C C 13 177.925 0.20 . 1 . . . . . 87 GLY C . 19139 1 405 . 1 1 87 87 GLY CA C 13 47.493 0.20 . 1 . . . . . 87 GLY CA . 19139 1 406 . 1 1 87 87 GLY N N 15 109.407 0.20 . 1 . . . . . 87 GLY N . 19139 1 407 . 1 1 88 88 PHE H H 1 9.025 0.02 . 1 . . . . . 88 PHE H . 19139 1 408 . 1 1 88 88 PHE C C 13 177.389 0.20 . 1 . . . . . 88 PHE C . 19139 1 409 . 1 1 88 88 PHE CA C 13 62.333 0.20 . 1 . . . . . 88 PHE CA . 19139 1 410 . 1 1 88 88 PHE CB C 13 40.834 0.20 . 1 . . . . . 88 PHE CB . 19139 1 411 . 1 1 88 88 PHE N N 15 122.238 0.20 . 1 . . . . . 88 PHE N . 19139 1 412 . 1 1 89 89 THR H H 1 7.748 0.02 . 1 . . . . . 89 THR H . 19139 1 413 . 1 1 89 89 THR C C 13 175.764 0.20 . 1 . . . . . 89 THR C . 19139 1 414 . 1 1 89 89 THR CA C 13 68.636 0.20 . 1 . . . . . 89 THR CA . 19139 1 415 . 1 1 89 89 THR CB C 13 67.617 0.20 . 1 . . . . . 89 THR CB . 19139 1 416 . 1 1 89 89 THR N N 15 114.975 0.20 . 1 . . . . . 89 THR N . 19139 1 417 . 1 1 90 90 GLU H H 1 8.278 0.02 . 1 . . . . . 90 GLU H . 19139 1 418 . 1 1 90 90 GLU C C 13 177.604 0.20 . 1 . . . . . 90 GLU C . 19139 1 419 . 1 1 90 90 GLU CA C 13 60.001 0.20 . 1 . . . . . 90 GLU CA . 19139 1 420 . 1 1 90 90 GLU CB C 13 29.877 0.20 . 1 . . . . . 90 GLU CB . 19139 1 421 . 1 1 90 90 GLU N N 15 120.769 0.20 . 1 . . . . . 90 GLU N . 19139 1 422 . 1 1 91 91 ALA H H 1 7.512 0.02 . 1 . . . . . 91 ALA H . 19139 1 423 . 1 1 91 91 ALA C C 13 179.113 0.20 . 1 . . . . . 91 ALA C . 19139 1 424 . 1 1 91 91 ALA CA C 13 54.921 0.20 . 1 . . . . . 91 ALA CA . 19139 1 425 . 1 1 91 91 ALA CB C 13 18.620 0.20 . 1 . . . . . 91 ALA CB . 19139 1 426 . 1 1 91 91 ALA N N 15 118.678 0.20 . 1 . . . . . 91 ALA N . 19139 1 427 . 1 1 92 92 ALA H H 1 8.418 0.02 . 1 . . . . . 92 ALA H . 19139 1 428 . 1 1 92 92 ALA C C 13 178.297 0.20 . 1 . . . . . 92 ALA C . 19139 1 429 . 1 1 92 92 ALA CA C 13 54.864 0.20 . 1 . . . . . 92 ALA CA . 19139 1 430 . 1 1 92 92 ALA CB C 13 18.996 0.20 . 1 . . . . . 92 ALA CB . 19139 1 431 . 1 1 92 92 ALA N N 15 119.699 0.20 . 1 . . . . . 92 ALA N . 19139 1 432 . 1 1 93 93 ALA H H 1 8.625 0.02 . 1 . . . . . 93 ALA H . 19139 1 433 . 1 1 93 93 ALA C C 13 179.538 0.20 . 1 . . . . . 93 ALA C . 19139 1 434 . 1 1 93 93 ALA CA C 13 55.334 0.20 . 1 . . . . . 93 ALA CA . 19139 1 435 . 1 1 93 93 ALA CB C 13 18.795 0.20 . 1 . . . . . 93 ALA CB . 19139 1 436 . 1 1 93 93 ALA N N 15 119.578 0.20 . 1 . . . . . 93 ALA N . 19139 1 437 . 1 1 94 94 GLN H H 1 8.163 0.02 . 1 . . . . . 94 GLN H . 19139 1 438 . 1 1 94 94 GLN C C 13 177.764 0.20 . 1 . . . . . 94 GLN C . 19139 1 439 . 1 1 94 94 GLN CA C 13 58.477 0.20 . 1 . . . . . 94 GLN CA . 19139 1 440 . 1 1 94 94 GLN CB C 13 26.277 0.20 . 1 . . . . . 94 GLN CB . 19139 1 441 . 1 1 94 94 GLN N N 15 120.585 0.20 . 1 . . . . . 94 GLN N . 19139 1 442 . 1 1 95 95 ALA H H 1 8.500 0.02 . 1 . . . . . 95 ALA H . 19139 1 443 . 1 1 95 95 ALA C C 13 178.746 0.20 . 1 . . . . . 95 ALA C . 19139 1 444 . 1 1 95 95 ALA CA C 13 55.604 0.20 . 1 . . . . . 95 ALA CA . 19139 1 445 . 1 1 95 95 ALA CB C 13 18.392 0.20 . 1 . . . . . 95 ALA CB . 19139 1 446 . 1 1 95 95 ALA N N 15 122.825 0.20 . 1 . . . . . 95 ALA N . 19139 1 447 . 1 1 96 96 ALA H H 1 8.689 0.02 . 1 . . . . . 96 ALA H . 19139 1 448 . 1 1 96 96 ALA C C 13 178.974 0.20 . 1 . . . . . 96 ALA C . 19139 1 449 . 1 1 96 96 ALA CA C 13 55.545 0.20 . 1 . . . . . 96 ALA CA . 19139 1 450 . 1 1 96 96 ALA CB C 13 18.182 0.20 . 1 . . . . . 96 ALA CB . 19139 1 451 . 1 1 96 96 ALA N N 15 119.088 0.20 . 1 . . . . . 96 ALA N . 19139 1 452 . 1 1 97 97 TYR H H 1 7.910 0.02 . 1 . . . . . 97 TYR H . 19139 1 453 . 1 1 97 97 TYR C C 13 177.348 0.20 . 1 . . . . . 97 TYR C . 19139 1 454 . 1 1 97 97 TYR CA C 13 60.797 0.20 . 1 . . . . . 97 TYR CA . 19139 1 455 . 1 1 97 97 TYR CB C 13 36.991 0.20 . 1 . . . . . 97 TYR CB . 19139 1 456 . 1 1 97 97 TYR N N 15 119.669 0.20 . 1 . . . . . 97 TYR N . 19139 1 457 . 1 1 98 98 LEU H H 1 8.409 0.02 . 1 . . . . . 98 LEU H . 19139 1 458 . 1 1 98 98 LEU C C 13 180.432 0.20 . 1 . . . . . 98 LEU C . 19139 1 459 . 1 1 98 98 LEU CA C 13 57.361 0.20 . 1 . . . . . 98 LEU CA . 19139 1 460 . 1 1 98 98 LEU CB C 13 42.095 0.20 . 1 . . . . . 98 LEU CB . 19139 1 461 . 1 1 98 98 LEU N N 15 119.694 0.20 . 1 . . . . . 98 LEU N . 19139 1 462 . 1 1 99 99 VAL H H 1 8.461 0.02 . 1 . . . . . 99 VAL H . 19139 1 463 . 1 1 99 99 VAL C C 13 178.301 0.20 . 1 . . . . . 99 VAL C . 19139 1 464 . 1 1 99 99 VAL CA C 13 64.568 0.20 . 1 . . . . . 99 VAL CA . 19139 1 465 . 1 1 99 99 VAL CB C 13 32.115 0.20 . 1 . . . . . 99 VAL CB . 19139 1 466 . 1 1 99 99 VAL N N 15 116.863 0.20 . 1 . . . . . 99 VAL N . 19139 1 467 . 1 1 100 100 GLY H H 1 8.256 0.02 . 1 . . . . . 100 GLY H . 19139 1 468 . 1 1 100 100 GLY C C 13 174.380 0.20 . 1 . . . . . 100 GLY C . 19139 1 469 . 1 1 100 100 GLY CA C 13 46.366 0.20 . 1 . . . . . 100 GLY CA . 19139 1 470 . 1 1 100 100 GLY N N 15 108.675 0.20 . 1 . . . . . 100 GLY N . 19139 1 471 . 1 1 101 101 VAL H H 1 7.454 0.02 . 1 . . . . . 101 VAL H . 19139 1 472 . 1 1 101 101 VAL C C 13 176.288 0.20 . 1 . . . . . 101 VAL C . 19139 1 473 . 1 1 101 101 VAL CA C 13 62.432 0.20 . 1 . . . . . 101 VAL CA . 19139 1 474 . 1 1 101 101 VAL CB C 13 31.768 0.20 . 1 . . . . . 101 VAL CB . 19139 1 475 . 1 1 101 101 VAL N N 15 117.454 0.20 . 1 . . . . . 101 VAL N . 19139 1 476 . 1 1 102 102 SER H H 1 7.668 0.02 . 1 . . . . . 102 SER H . 19139 1 477 . 1 1 102 102 SER C C 13 174.005 0.20 . 1 . . . . . 102 SER C . 19139 1 478 . 1 1 102 102 SER CA C 13 59.712 0.20 . 1 . . . . . 102 SER CA . 19139 1 479 . 1 1 102 102 SER CB C 13 63.574 0.20 . 1 . . . . . 102 SER CB . 19139 1 480 . 1 1 102 102 SER N N 15 116.950 0.20 . 1 . . . . . 102 SER N . 19139 1 481 . 1 1 103 103 ASP H H 1 7.808 0.02 . 1 . . . . . 103 ASP H . 19139 1 482 . 1 1 103 103 ASP CA C 13 51.108 0.20 . 1 . . . . . 103 ASP CA . 19139 1 483 . 1 1 103 103 ASP CB C 13 42.458 0.20 . 1 . . . . . 103 ASP CB . 19139 1 484 . 1 1 103 103 ASP N N 15 122.381 0.20 . 1 . . . . . 103 ASP N . 19139 1 485 . 1 1 104 104 PRO C C 13 177.080 0.20 . 1 . . . . . 104 PRO C . 19139 1 486 . 1 1 104 104 PRO CA C 13 63.749 0.20 . 1 . . . . . 104 PRO CA . 19139 1 487 . 1 1 104 104 PRO CB C 13 32.174 0.20 . 1 . . . . . 104 PRO CB . 19139 1 488 . 1 1 105 105 ASN H H 1 8.544 0.02 . 1 . . . . . 105 ASN H . 19139 1 489 . 1 1 105 105 ASN C C 13 175.127 0.20 . 1 . . . . . 105 ASN C . 19139 1 490 . 1 1 105 105 ASN CA C 13 53.642 0.20 . 1 . . . . . 105 ASN CA . 19139 1 491 . 1 1 105 105 ASN CB C 13 39.013 0.20 . 1 . . . . . 105 ASN CB . 19139 1 492 . 1 1 105 105 ASN N N 15 116.488 0.20 . 1 . . . . . 105 ASN N . 19139 1 493 . 1 1 106 106 VAL H H 1 7.656 0.02 . 1 . . . . . 106 VAL H . 19139 1 494 . 1 1 106 106 VAL C C 13 175.274 0.20 . 1 . . . . . 106 VAL C . 19139 1 495 . 1 1 106 106 VAL CA C 13 61.963 0.20 . 1 . . . . . 106 VAL CA . 19139 1 496 . 1 1 106 106 VAL CB C 13 33.535 0.20 . 1 . . . . . 106 VAL CB . 19139 1 497 . 1 1 106 106 VAL N N 15 118.830 0.20 . 1 . . . . . 106 VAL N . 19139 1 498 . 1 1 107 107 ASP H H 1 8.411 0.02 . 1 . . . . . 107 ASP H . 19139 1 499 . 1 1 107 107 ASP C C 13 176.025 0.20 . 1 . . . . . 107 ASP C . 19139 1 500 . 1 1 107 107 ASP CA C 13 54.295 0.20 . 1 . . . . . 107 ASP CA . 19139 1 501 . 1 1 107 107 ASP CB C 13 41.074 0.20 . 1 . . . . . 107 ASP CB . 19139 1 502 . 1 1 107 107 ASP N N 15 122.760 0.20 . 1 . . . . . 107 ASP N . 19139 1 503 . 1 1 108 108 GLN H H 1 7.772 0.02 . 1 . . . . . 108 GLN H . 19139 1 504 . 1 1 108 108 GLN C C 13 174.879 0.20 . 1 . . . . . 108 GLN C . 19139 1 505 . 1 1 108 108 GLN CA C 13 55.430 0.20 . 1 . . . . . 108 GLN CA . 19139 1 506 . 1 1 108 108 GLN CB C 13 30.690 0.20 . 1 . . . . . 108 GLN CB . 19139 1 507 . 1 1 108 108 GLN N N 15 118.893 0.20 . 1 . . . . . 108 GLN N . 19139 1 508 . 1 1 109 109 ILE H H 1 8.345 0.02 . 1 . . . . . 109 ILE H . 19139 1 509 . 1 1 109 109 ILE C C 13 176.347 0.20 . 1 . . . . . 109 ILE C . 19139 1 510 . 1 1 109 109 ILE CA C 13 61.163 0.20 . 1 . . . . . 109 ILE CA . 19139 1 511 . 1 1 109 109 ILE CB C 13 38.061 0.20 . 1 . . . . . 109 ILE CB . 19139 1 512 . 1 1 109 109 ILE N N 15 121.119 0.20 . 1 . . . . . 109 ILE N . 19139 1 513 . 1 1 110 110 SER H H 1 8.640 0.02 . 1 . . . . . 110 SER H . 19139 1 514 . 1 1 110 110 SER CA C 13 56.927 0.20 . 1 . . . . . 110 SER CA . 19139 1 515 . 1 1 110 110 SER CB C 13 63.494 0.20 . 1 . . . . . 110 SER CB . 19139 1 516 . 1 1 110 110 SER N N 15 124.011 0.20 . 1 . . . . . 110 SER N . 19139 1 517 . 1 1 111 111 PRO C C 13 179.611 0.20 . 1 . . . . . 111 PRO C . 19139 1 518 . 1 1 111 111 PRO CA C 13 65.655 0.20 . 1 . . . . . 111 PRO CA . 19139 1 519 . 1 1 111 111 PRO CB C 13 31.656 0.20 . 1 . . . . . 111 PRO CB . 19139 1 520 . 1 1 112 112 GLU H H 1 8.873 0.02 . 1 . . . . . 112 GLU H . 19139 1 521 . 1 1 112 112 GLU C C 13 179.137 0.20 . 1 . . . . . 112 GLU C . 19139 1 522 . 1 1 112 112 GLU CA C 13 59.796 0.20 . 1 . . . . . 112 GLU CA . 19139 1 523 . 1 1 112 112 GLU CB C 13 28.656 0.20 . 1 . . . . . 112 GLU CB . 19139 1 524 . 1 1 112 112 GLU N N 15 118.480 0.20 . 1 . . . . . 112 GLU N . 19139 1 525 . 1 1 113 113 GLY H H 1 8.337 0.02 . 1 . . . . . 113 GLY H . 19139 1 526 . 1 1 113 113 GLY C C 13 175.916 0.20 . 1 . . . . . 113 GLY C . 19139 1 527 . 1 1 113 113 GLY CA C 13 47.172 0.20 . 1 . . . . . 113 GLY CA . 19139 1 528 . 1 1 113 113 GLY N N 15 112.595 0.20 . 1 . . . . . 113 GLY N . 19139 1 529 . 1 1 114 114 ARG H H 1 8.403 0.02 . 1 . . . . . 114 ARG H . 19139 1 530 . 1 1 114 114 ARG C C 13 178.883 0.20 . 1 . . . . . 114 ARG C . 19139 1 531 . 1 1 114 114 ARG CA C 13 58.636 0.20 . 1 . . . . . 114 ARG CA . 19139 1 532 . 1 1 114 114 ARG CB C 13 29.661 0.20 . 1 . . . . . 114 ARG CB . 19139 1 533 . 1 1 114 114 ARG N N 15 121.265 0.20 . 1 . . . . . 114 ARG N . 19139 1 534 . 1 1 115 115 ALA H H 1 7.894 0.02 . 1 . . . . . 115 ALA H . 19139 1 535 . 1 1 115 115 ALA C C 13 179.907 0.20 . 1 . . . . . 115 ALA C . 19139 1 536 . 1 1 115 115 ALA CA C 13 54.532 0.20 . 1 . . . . . 115 ALA CA . 19139 1 537 . 1 1 115 115 ALA CB C 13 18.040 0.20 . 1 . . . . . 115 ALA CB . 19139 1 538 . 1 1 115 115 ALA N N 15 120.985 0.20 . 1 . . . . . 115 ALA N . 19139 1 539 . 1 1 116 116 ALA H H 1 7.747 0.02 . 1 . . . . . 116 ALA H . 19139 1 540 . 1 1 116 116 ALA C C 13 178.333 0.20 . 1 . . . . . 116 ALA C . 19139 1 541 . 1 1 116 116 ALA CA C 13 54.582 0.20 . 1 . . . . . 116 ALA CA . 19139 1 542 . 1 1 116 116 ALA CB C 13 18.719 0.20 . 1 . . . . . 116 ALA CB . 19139 1 543 . 1 1 116 116 ALA N N 15 120.202 0.20 . 1 . . . . . 116 ALA N . 19139 1 544 . 1 1 117 117 MET H H 1 7.565 0.02 . 1 . . . . . 117 MET H . 19139 1 545 . 1 1 117 117 MET C C 13 177.198 0.20 . 1 . . . . . 117 MET C . 19139 1 546 . 1 1 117 117 MET CA C 13 56.922 0.20 . 1 . . . . . 117 MET CA . 19139 1 547 . 1 1 117 117 MET CB C 13 33.945 0.20 . 1 . . . . . 117 MET CB . 19139 1 548 . 1 1 117 117 MET N N 15 110.585 0.20 . 1 . . . . . 117 MET N . 19139 1 549 . 1 1 118 118 GLU H H 1 7.552 0.02 . 1 . . . . . 118 GLU H . 19139 1 550 . 1 1 118 118 GLU CB C 13 33.954 0.20 . 1 . . . . . 118 GLU CB . 19139 1 551 . 1 1 118 118 GLU N N 15 122.020 0.20 . 1 . . . . . 118 GLU N . 19139 1 552 . 1 1 120 120 ILE C C 13 176.316 0.20 . 1 . . . . . 120 ILE C . 19139 1 553 . 1 1 120 120 ILE CA C 13 65.262 0.20 . 1 . . . . . 120 ILE CA . 19139 1 554 . 1 1 120 120 ILE CB C 13 39.432 0.20 . 1 . . . . . 120 ILE CB . 19139 1 555 . 1 1 121 121 VAL H H 1 7.537 0.02 . 1 . . . . . 121 VAL H . 19139 1 556 . 1 1 121 121 VAL C C 13 178.305 0.20 . 1 . . . . . 121 VAL C . 19139 1 557 . 1 1 121 121 VAL CA C 13 67.264 0.20 . 1 . . . . . 121 VAL CA . 19139 1 558 . 1 1 121 121 VAL CB C 13 31.984 0.20 . 1 . . . . . 121 VAL CB . 19139 1 559 . 1 1 121 121 VAL N N 15 117.200 0.20 . 1 . . . . . 121 VAL N . 19139 1 560 . 1 1 122 122 ILE H H 1 9.011 0.02 . 1 . . . . . 122 ILE H . 19139 1 561 . 1 1 122 122 ILE C C 13 179.455 0.20 . 1 . . . . . 122 ILE C . 19139 1 562 . 1 1 122 122 ILE CA C 13 64.493 0.20 . 1 . . . . . 122 ILE CA . 19139 1 563 . 1 1 122 122 ILE CB C 13 37.261 0.20 . 1 . . . . . 122 ILE CB . 19139 1 564 . 1 1 122 122 ILE N N 15 118.581 0.20 . 1 . . . . . 122 ILE N . 19139 1 565 . 1 1 123 123 SER H H 1 7.482 0.02 . 1 . . . . . 123 SER H . 19139 1 566 . 1 1 123 123 SER C C 13 176.168 0.20 . 1 . . . . . 123 SER C . 19139 1 567 . 1 1 123 123 SER CA C 13 62.861 0.20 . 1 . . . . . 123 SER CA . 19139 1 568 . 1 1 123 123 SER CB C 13 62.880 0.20 . 1 . . . . . 123 SER CB . 19139 1 569 . 1 1 123 123 SER N N 15 117.245 0.20 . 1 . . . . . 123 SER N . 19139 1 570 . 1 1 124 124 ALA H H 1 7.960 0.02 . 1 . . . . . 124 ALA H . 19139 1 571 . 1 1 124 124 ALA C C 13 178.813 0.20 . 1 . . . . . 124 ALA C . 19139 1 572 . 1 1 124 124 ALA CA C 13 55.251 0.20 . 1 . . . . . 124 ALA CA . 19139 1 573 . 1 1 124 124 ALA CB C 13 18.605 0.20 . 1 . . . . . 124 ALA CB . 19139 1 574 . 1 1 124 124 ALA N N 15 124.574 0.20 . 1 . . . . . 124 ALA N . 19139 1 575 . 1 1 125 125 LYS H H 1 8.731 0.02 . 1 . . . . . 125 LYS H . 19139 1 576 . 1 1 125 125 LYS C C 13 179.657 0.20 . 1 . . . . . 125 LYS C . 19139 1 577 . 1 1 125 125 LYS CA C 13 61.160 0.20 . 1 . . . . . 125 LYS CA . 19139 1 578 . 1 1 125 125 LYS CB C 13 32.865 0.20 . 1 . . . . . 125 LYS CB . 19139 1 579 . 1 1 125 125 LYS N N 15 118.818 0.20 . 1 . . . . . 125 LYS N . 19139 1 580 . 1 1 126 126 THR H H 1 8.322 0.02 . 1 . . . . . 126 THR H . 19139 1 581 . 1 1 126 126 THR C C 13 176.771 0.20 . 1 . . . . . 126 THR C . 19139 1 582 . 1 1 126 126 THR CA C 13 66.701 0.20 . 1 . . . . . 126 THR CA . 19139 1 583 . 1 1 126 126 THR CB C 13 68.667 0.20 . 1 . . . . . 126 THR CB . 19139 1 584 . 1 1 126 126 THR N N 15 117.322 0.20 . 1 . . . . . 126 THR N . 19139 1 585 . 1 1 127 127 MET H H 1 8.024 0.02 . 1 . . . . . 127 MET H . 19139 1 586 . 1 1 127 127 MET C C 13 177.252 0.20 . 1 . . . . . 127 MET C . 19139 1 587 . 1 1 127 127 MET CA C 13 59.837 0.20 . 1 . . . . . 127 MET CA . 19139 1 588 . 1 1 127 127 MET CB C 13 33.064 0.20 . 1 . . . . . 127 MET CB . 19139 1 589 . 1 1 127 127 MET N N 15 123.790 0.20 . 1 . . . . . 127 MET N . 19139 1 590 . 1 1 128 128 LEU H H 1 7.875 0.02 . 1 . . . . . 128 LEU H . 19139 1 591 . 1 1 128 128 LEU C C 13 179.826 0.20 . 1 . . . . . 128 LEU C . 19139 1 592 . 1 1 128 128 LEU CA C 13 58.014 0.20 . 1 . . . . . 128 LEU CA . 19139 1 593 . 1 1 128 128 LEU CB C 13 42.188 0.20 . 1 . . . . . 128 LEU CB . 19139 1 594 . 1 1 128 128 LEU N N 15 117.812 0.20 . 1 . . . . . 128 LEU N . 19139 1 595 . 1 1 129 129 GLU H H 1 8.223 0.02 . 1 . . . . . 129 GLU H . 19139 1 596 . 1 1 129 129 GLU C C 13 180.169 0.20 . 1 . . . . . 129 GLU C . 19139 1 597 . 1 1 129 129 GLU CA C 13 59.493 0.20 . 1 . . . . . 129 GLU CA . 19139 1 598 . 1 1 129 129 GLU CB C 13 29.741 0.20 . 1 . . . . . 129 GLU CB . 19139 1 599 . 1 1 129 129 GLU N N 15 121.621 0.20 . 1 . . . . . 129 GLU N . 19139 1 600 . 1 1 130 130 SER H H 1 8.274 0.02 . 1 . . . . . 130 SER H . 19139 1 601 . 1 1 130 130 SER C C 13 176.443 0.20 . 1 . . . . . 130 SER C . 19139 1 602 . 1 1 130 130 SER CA C 13 62.009 0.20 . 1 . . . . . 130 SER CA . 19139 1 603 . 1 1 130 130 SER CB C 13 62.814 0.20 . 1 . . . . . 130 SER CB . 19139 1 604 . 1 1 130 130 SER N N 15 116.764 0.20 . 1 . . . . . 130 SER N . 19139 1 605 . 1 1 131 131 ALA H H 1 8.607 0.02 . 1 . . . . . 131 ALA H . 19139 1 606 . 1 1 131 131 ALA C C 13 179.202 0.20 . 1 . . . . . 131 ALA C . 19139 1 607 . 1 1 131 131 ALA CA C 13 54.760 0.20 . 1 . . . . . 131 ALA CA . 19139 1 608 . 1 1 131 131 ALA CB C 13 19.378 0.20 . 1 . . . . . 131 ALA CB . 19139 1 609 . 1 1 131 131 ALA N N 15 125.076 0.20 . 1 . . . . . 131 ALA N . 19139 1 610 . 1 1 132 132 GLY H H 1 7.977 0.02 . 1 . . . . . 132 GLY H . 19139 1 611 . 1 1 132 132 GLY C C 13 176.004 0.20 . 1 . . . . . 132 GLY C . 19139 1 612 . 1 1 132 132 GLY CA C 13 47.144 0.20 . 1 . . . . . 132 GLY CA . 19139 1 613 . 1 1 132 132 GLY N N 15 105.657 0.20 . 1 . . . . . 132 GLY N . 19139 1 614 . 1 1 133 133 GLY H H 1 7.188 0.02 . 1 . . . . . 133 GLY H . 19139 1 615 . 1 1 133 133 GLY C C 13 176.645 0.20 . 1 . . . . . 133 GLY C . 19139 1 616 . 1 1 133 133 GLY CA C 13 46.496 0.20 . 1 . . . . . 133 GLY CA . 19139 1 617 . 1 1 133 133 GLY N N 15 108.518 0.20 . 1 . . . . . 133 GLY N . 19139 1 618 . 1 1 134 134 LEU H H 1 8.091 0.02 . 1 . . . . . 134 LEU H . 19139 1 619 . 1 1 134 134 LEU C C 13 177.992 0.20 . 1 . . . . . 134 LEU C . 19139 1 620 . 1 1 134 134 LEU CA C 13 59.988 0.20 . 1 . . . . . 134 LEU CA . 19139 1 621 . 1 1 134 134 LEU CB C 13 43.050 0.20 . 1 . . . . . 134 LEU CB . 19139 1 622 . 1 1 134 134 LEU N N 15 125.694 0.20 . 1 . . . . . 134 LEU N . 19139 1 623 . 1 1 135 135 ILE H H 1 8.337 0.02 . 1 . . . . . 135 ILE H . 19139 1 624 . 1 1 135 135 ILE C C 13 177.434 0.20 . 1 . . . . . 135 ILE C . 19139 1 625 . 1 1 135 135 ILE CA C 13 65.558 0.20 . 1 . . . . . 135 ILE CA . 19139 1 626 . 1 1 135 135 ILE CB C 13 37.567 0.20 . 1 . . . . . 135 ILE CB . 19139 1 627 . 1 1 135 135 ILE N N 15 119.406 0.20 . 1 . . . . . 135 ILE N . 19139 1 628 . 1 1 136 136 GLN H H 1 8.427 0.02 . 1 . . . . . 136 GLN H . 19139 1 629 . 1 1 136 136 GLN C C 13 179.002 0.20 . 1 . . . . . 136 GLN C . 19139 1 630 . 1 1 136 136 GLN CA C 13 59.586 0.20 . 1 . . . . . 136 GLN CA . 19139 1 631 . 1 1 136 136 GLN CB C 13 28.948 0.20 . 1 . . . . . 136 GLN CB . 19139 1 632 . 1 1 136 136 GLN N N 15 118.428 0.20 . 1 . . . . . 136 GLN N . 19139 1 633 . 1 1 137 137 THR H H 1 7.980 0.02 . 1 . . . . . 137 THR H . 19139 1 634 . 1 1 137 137 THR C C 13 175.653 0.20 . 1 . . . . . 137 THR C . 19139 1 635 . 1 1 137 137 THR CA C 13 67.067 0.20 . 1 . . . . . 137 THR CA . 19139 1 636 . 1 1 137 137 THR CB C 13 68.052 0.20 . 1 . . . . . 137 THR CB . 19139 1 637 . 1 1 137 137 THR N N 15 116.844 0.20 . 1 . . . . . 137 THR N . 19139 1 638 . 1 1 138 138 ALA H H 1 8.769 0.02 . 1 . . . . . 138 ALA H . 19139 1 639 . 1 1 138 138 ALA C C 13 177.509 0.20 . 1 . . . . . 138 ALA C . 19139 1 640 . 1 1 138 138 ALA CA C 13 55.375 0.20 . 1 . . . . . 138 ALA CA . 19139 1 641 . 1 1 138 138 ALA CB C 13 17.854 0.20 . 1 . . . . . 138 ALA CB . 19139 1 642 . 1 1 138 138 ALA N N 15 124.563 0.20 . 1 . . . . . 138 ALA N . 19139 1 643 . 1 1 139 139 ARG H H 1 8.285 0.02 . 1 . . . . . 139 ARG H . 19139 1 644 . 1 1 139 139 ARG C C 13 177.602 0.20 . 1 . . . . . 139 ARG C . 19139 1 645 . 1 1 139 139 ARG CA C 13 59.544 0.20 . 1 . . . . . 139 ARG CA . 19139 1 646 . 1 1 139 139 ARG CB C 13 30.858 0.20 . 1 . . . . . 139 ARG CB . 19139 1 647 . 1 1 139 139 ARG N N 15 116.586 0.20 . 1 . . . . . 139 ARG N . 19139 1 648 . 1 1 140 140 ALA H H 1 6.860 0.02 . 1 . . . . . 140 ALA H . 19139 1 649 . 1 1 140 140 ALA C C 13 179.924 0.20 . 1 . . . . . 140 ALA C . 19139 1 650 . 1 1 140 140 ALA CA C 13 54.388 0.20 . 1 . . . . . 140 ALA CA . 19139 1 651 . 1 1 140 140 ALA CB C 13 18.062 0.20 . 1 . . . . . 140 ALA CB . 19139 1 652 . 1 1 140 140 ALA N N 15 119.768 0.20 . 1 . . . . . 140 ALA N . 19139 1 653 . 1 1 141 141 LEU H H 1 7.482 0.02 . 1 . . . . . 141 LEU H . 19139 1 654 . 1 1 141 141 LEU C C 13 176.842 0.20 . 1 . . . . . 141 LEU C . 19139 1 655 . 1 1 141 141 LEU CA C 13 56.364 0.20 . 1 . . . . . 141 LEU CA . 19139 1 656 . 1 1 141 141 LEU CB C 13 42.210 0.20 . 1 . . . . . 141 LEU CB . 19139 1 657 . 1 1 141 141 LEU N N 15 120.018 0.20 . 1 . . . . . 141 LEU N . 19139 1 658 . 1 1 142 142 ALA H H 1 7.762 0.02 . 1 . . . . . 142 ALA H . 19139 1 659 . 1 1 142 142 ALA C C 13 179.279 0.20 . 1 . . . . . 142 ALA C . 19139 1 660 . 1 1 142 142 ALA CA C 13 54.068 0.20 . 1 . . . . . 142 ALA CA . 19139 1 661 . 1 1 142 142 ALA CB C 13 17.067 0.20 . 1 . . . . . 142 ALA CB . 19139 1 662 . 1 1 142 142 ALA N N 15 116.675 0.20 . 1 . . . . . 142 ALA N . 19139 1 663 . 1 1 143 143 VAL H H 1 6.749 0.02 . 1 . . . . . 143 VAL H . 19139 1 664 . 1 1 143 143 VAL C C 13 176.433 0.20 . 1 . . . . . 143 VAL C . 19139 1 665 . 1 1 143 143 VAL CA C 13 63.653 0.20 . 1 . . . . . 143 VAL CA . 19139 1 666 . 1 1 143 143 VAL CB C 13 32.340 0.20 . 1 . . . . . 143 VAL CB . 19139 1 667 . 1 1 143 143 VAL N N 15 113.186 0.20 . 1 . . . . . 143 VAL N . 19139 1 668 . 1 1 144 144 ASN H H 1 7.599 0.02 . 1 . . . . . 144 ASN H . 19139 1 669 . 1 1 144 144 ASN CA C 13 50.462 0.20 . 1 . . . . . 144 ASN CA . 19139 1 670 . 1 1 144 144 ASN CB C 13 38.976 0.20 . 1 . . . . . 144 ASN CB . 19139 1 671 . 1 1 144 144 ASN N N 15 114.551 0.20 . 1 . . . . . 144 ASN N . 19139 1 672 . 1 1 145 145 PRO C C 13 178.400 0.20 . 1 . . . . . 145 PRO C . 19139 1 673 . 1 1 145 145 PRO CA C 13 63.881 0.20 . 1 . . . . . 145 PRO CA . 19139 1 674 . 1 1 145 145 PRO CB C 13 32.459 0.20 . 1 . . . . . 145 PRO CB . 19139 1 675 . 1 1 146 146 ARG H H 1 7.786 0.02 . 1 . . . . . 146 ARG H . 19139 1 676 . 1 1 146 146 ARG C C 13 175.055 0.20 . 1 . . . . . 146 ARG C . 19139 1 677 . 1 1 146 146 ARG CA C 13 55.026 0.20 . 1 . . . . . 146 ARG CA . 19139 1 678 . 1 1 146 146 ARG CB C 13 27.259 0.20 . 1 . . . . . 146 ARG CB . 19139 1 679 . 1 1 146 146 ARG N N 15 124.771 0.20 . 1 . . . . . 146 ARG N . 19139 1 680 . 1 1 147 147 ASP H H 1 7.260 0.02 . 1 . . . . . 147 ASP H . 19139 1 681 . 1 1 147 147 ASP CA C 13 51.458 0.20 . 1 . . . . . 147 ASP CA . 19139 1 682 . 1 1 147 147 ASP CB C 13 40.587 0.20 . 1 . . . . . 147 ASP CB . 19139 1 683 . 1 1 147 147 ASP N N 15 118.674 0.20 . 1 . . . . . 147 ASP N . 19139 1 684 . 1 1 149 149 PRO C C 13 179.733 0.20 . 1 . . . . . 149 PRO C . 19139 1 685 . 1 1 149 149 PRO CA C 13 66.156 0.20 . 1 . . . . . 149 PRO CA . 19139 1 686 . 1 1 150 150 ARG H H 1 7.358 0.02 . 1 . . . . . 150 ARG H . 19139 1 687 . 1 1 150 150 ARG CA C 13 59.370 0.20 . 1 . . . . . 150 ARG CA . 19139 1 688 . 1 1 150 150 ARG N N 15 117.572 0.20 . 1 . . . . . 150 ARG N . 19139 1 689 . 1 1 151 151 TRP H H 1 7.893 0.02 . 1 . . . . . 151 TRP H . 19139 1 690 . 1 1 151 151 TRP C C 13 179.858 0.20 . 1 . . . . . 151 TRP C . 19139 1 691 . 1 1 151 151 TRP CA C 13 61.098 0.20 . 1 . . . . . 151 TRP CA . 19139 1 692 . 1 1 151 151 TRP CB C 13 28.591 0.20 . 1 . . . . . 151 TRP CB . 19139 1 693 . 1 1 151 151 TRP N N 15 121.195 0.20 . 1 . . . . . 151 TRP N . 19139 1 694 . 1 1 152 152 SER H H 1 7.765 0.02 . 1 . . . . . 152 SER H . 19139 1 695 . 1 1 152 152 SER C C 13 177.466 0.20 . 1 . . . . . 152 SER C . 19139 1 696 . 1 1 152 152 SER CA C 13 61.816 0.20 . 1 . . . . . 152 SER CA . 19139 1 697 . 1 1 152 152 SER CB C 13 62.303 0.20 . 1 . . . . . 152 SER CB . 19139 1 698 . 1 1 152 152 SER N N 15 116.475 0.20 . 1 . . . . . 152 SER N . 19139 1 699 . 1 1 153 153 VAL H H 1 7.665 0.02 . 1 . . . . . 153 VAL H . 19139 1 700 . 1 1 153 153 VAL C C 13 178.823 0.20 . 1 . . . . . 153 VAL C . 19139 1 701 . 1 1 153 153 VAL CA C 13 66.081 0.20 . 1 . . . . . 153 VAL CA . 19139 1 702 . 1 1 153 153 VAL CB C 13 31.541 0.20 . 1 . . . . . 153 VAL CB . 19139 1 703 . 1 1 153 153 VAL N N 15 124.729 0.20 . 1 . . . . . 153 VAL N . 19139 1 704 . 1 1 154 154 LEU H H 1 8.457 0.02 . 1 . . . . . 154 LEU H . 19139 1 705 . 1 1 154 154 LEU C C 13 178.656 0.20 . 1 . . . . . 154 LEU C . 19139 1 706 . 1 1 154 154 LEU CA C 13 59.513 0.20 . 1 . . . . . 154 LEU CA . 19139 1 707 . 1 1 154 154 LEU CB C 13 41.398 0.20 . 1 . . . . . 154 LEU CB . 19139 1 708 . 1 1 154 154 LEU N N 15 122.042 0.20 . 1 . . . . . 154 LEU N . 19139 1 709 . 1 1 155 155 ALA H H 1 8.045 0.02 . 1 . . . . . 155 ALA H . 19139 1 710 . 1 1 155 155 ALA C C 13 180.641 0.20 . 1 . . . . . 155 ALA C . 19139 1 711 . 1 1 155 155 ALA CA C 13 55.050 0.20 . 1 . . . . . 155 ALA CA . 19139 1 712 . 1 1 155 155 ALA CB C 13 17.807 0.20 . 1 . . . . . 155 ALA CB . 19139 1 713 . 1 1 155 155 ALA N N 15 121.397 0.20 . 1 . . . . . 155 ALA N . 19139 1 714 . 1 1 156 156 GLY H H 1 7.956 0.02 . 1 . . . . . 156 GLY H . 19139 1 715 . 1 1 156 156 GLY C C 13 176.853 0.20 . 1 . . . . . 156 GLY C . 19139 1 716 . 1 1 156 156 GLY CA C 13 47.288 0.20 . 1 . . . . . 156 GLY CA . 19139 1 717 . 1 1 156 156 GLY N N 15 107.223 0.20 . 1 . . . . . 156 GLY N . 19139 1 718 . 1 1 157 157 HIS H H 1 8.074 0.02 . 1 . . . . . 157 HIS H . 19139 1 719 . 1 1 157 157 HIS C C 13 178.197 0.20 . 1 . . . . . 157 HIS C . 19139 1 720 . 1 1 157 157 HIS CA C 13 59.072 0.20 . 1 . . . . . 157 HIS CA . 19139 1 721 . 1 1 157 157 HIS CB C 13 30.957 0.20 . 1 . . . . . 157 HIS CB . 19139 1 722 . 1 1 157 157 HIS N N 15 121.263 0.20 . 1 . . . . . 157 HIS N . 19139 1 723 . 1 1 158 158 SER H H 1 8.727 0.02 . 1 . . . . . 158 SER H . 19139 1 724 . 1 1 158 158 SER C C 13 176.554 0.20 . 1 . . . . . 158 SER C . 19139 1 725 . 1 1 158 158 SER CA C 13 62.086 0.20 . 1 . . . . . 158 SER CA . 19139 1 726 . 1 1 158 158 SER CB C 13 62.881 0.20 . 1 . . . . . 158 SER CB . 19139 1 727 . 1 1 158 158 SER N N 15 115.157 0.20 . 1 . . . . . 158 SER N . 19139 1 728 . 1 1 159 159 ARG H H 1 7.963 0.02 . 1 . . . . . 159 ARG H . 19139 1 729 . 1 1 159 159 ARG C C 13 178.193 0.20 . 1 . . . . . 159 ARG C . 19139 1 730 . 1 1 159 159 ARG CA C 13 59.293 0.20 . 1 . . . . . 159 ARG CA . 19139 1 731 . 1 1 159 159 ARG CB C 13 29.719 0.20 . 1 . . . . . 159 ARG CB . 19139 1 732 . 1 1 159 159 ARG N N 15 121.979 0.20 . 1 . . . . . 159 ARG N . 19139 1 733 . 1 1 160 160 THR H H 1 8.075 0.02 . 1 . . . . . 160 THR H . 19139 1 734 . 1 1 160 160 THR C C 13 178.332 0.20 . 1 . . . . . 160 THR C . 19139 1 735 . 1 1 160 160 THR CA C 13 66.881 0.20 . 1 . . . . . 160 THR CA . 19139 1 736 . 1 1 160 160 THR CB C 13 68.118 0.20 . 1 . . . . . 160 THR CB . 19139 1 737 . 1 1 160 160 THR N N 15 117.284 0.20 . 1 . . . . . 160 THR N . 19139 1 738 . 1 1 161 161 VAL H H 1 8.906 0.02 . 1 . . . . . 161 VAL H . 19139 1 739 . 1 1 161 161 VAL C C 13 177.677 0.20 . 1 . . . . . 161 VAL C . 19139 1 740 . 1 1 161 161 VAL CA C 13 67.982 0.20 . 1 . . . . . 161 VAL CA . 19139 1 741 . 1 1 161 161 VAL CB C 13 31.513 0.20 . 1 . . . . . 161 VAL CB . 19139 1 742 . 1 1 161 161 VAL N N 15 125.712 0.20 . 1 . . . . . 161 VAL N . 19139 1 743 . 1 1 162 162 SER H H 1 8.186 0.02 . 1 . . . . . 162 SER H . 19139 1 744 . 1 1 162 162 SER C C 13 177.344 0.20 . 1 . . . . . 162 SER C . 19139 1 745 . 1 1 162 162 SER CA C 13 62.594 0.20 . 1 . . . . . 162 SER CA . 19139 1 746 . 1 1 162 162 SER CB C 13 62.592 0.20 . 1 . . . . . 162 SER CB . 19139 1 747 . 1 1 162 162 SER N N 15 115.217 0.20 . 1 . . . . . 162 SER N . 19139 1 748 . 1 1 163 163 ASP H H 1 8.884 0.02 . 1 . . . . . 163 ASP H . 19139 1 749 . 1 1 163 163 ASP C C 13 179.001 0.20 . 1 . . . . . 163 ASP C . 19139 1 750 . 1 1 163 163 ASP CA C 13 57.489 0.20 . 1 . . . . . 163 ASP CA . 19139 1 751 . 1 1 163 163 ASP CB C 13 40.705 0.20 . 1 . . . . . 163 ASP CB . 19139 1 752 . 1 1 163 163 ASP N N 15 122.511 0.20 . 1 . . . . . 163 ASP N . 19139 1 753 . 1 1 164 164 SER H H 1 8.352 0.02 . 1 . . . . . 164 SER H . 19139 1 754 . 1 1 164 164 SER C C 13 175.955 0.20 . 1 . . . . . 164 SER C . 19139 1 755 . 1 1 164 164 SER CA C 13 62.595 0.20 . 1 . . . . . 164 SER CA . 19139 1 756 . 1 1 164 164 SER CB C 13 62.587 0.20 . 1 . . . . . 164 SER CB . 19139 1 757 . 1 1 164 164 SER N N 15 117.845 0.20 . 1 . . . . . 164 SER N . 19139 1 758 . 1 1 165 165 ILE H H 1 8.047 0.02 . 1 . . . . . 165 ILE H . 19139 1 759 . 1 1 165 165 ILE C C 13 177.280 0.20 . 1 . . . . . 165 ILE C . 19139 1 760 . 1 1 165 165 ILE CA C 13 65.375 0.20 . 1 . . . . . 165 ILE CA . 19139 1 761 . 1 1 165 165 ILE CB C 13 37.748 0.20 . 1 . . . . . 165 ILE CB . 19139 1 762 . 1 1 165 165 ILE N N 15 123.383 0.20 . 1 . . . . . 165 ILE N . 19139 1 763 . 1 1 166 166 LYS H H 1 7.546 0.02 . 1 . . . . . 166 LYS H . 19139 1 764 . 1 1 166 166 LYS C C 13 179.704 0.20 . 1 . . . . . 166 LYS C . 19139 1 765 . 1 1 166 166 LYS CA C 13 60.079 0.20 . 1 . . . . . 166 LYS CA . 19139 1 766 . 1 1 166 166 LYS CB C 13 32.046 0.20 . 1 . . . . . 166 LYS CB . 19139 1 767 . 1 1 166 166 LYS N N 15 119.436 0.20 . 1 . . . . . 166 LYS N . 19139 1 768 . 1 1 167 167 LYS H H 1 7.927 0.02 . 1 . . . . . 167 LYS H . 19139 1 769 . 1 1 167 167 LYS C C 13 179.052 0.20 . 1 . . . . . 167 LYS C . 19139 1 770 . 1 1 167 167 LYS CA C 13 59.421 0.20 . 1 . . . . . 167 LYS CA . 19139 1 771 . 1 1 167 167 LYS CB C 13 32.353 0.20 . 1 . . . . . 167 LYS CB . 19139 1 772 . 1 1 167 167 LYS N N 15 120.065 0.20 . 1 . . . . . 167 LYS N . 19139 1 773 . 1 1 168 168 LEU H H 1 8.505 0.02 . 1 . . . . . 168 LEU H . 19139 1 774 . 1 1 168 168 LEU C C 13 178.225 0.20 . 1 . . . . . 168 LEU C . 19139 1 775 . 1 1 168 168 LEU CA C 13 58.729 0.20 . 1 . . . . . 168 LEU CA . 19139 1 776 . 1 1 168 168 LEU CB C 13 41.721 0.20 . 1 . . . . . 168 LEU CB . 19139 1 777 . 1 1 168 168 LEU N N 15 124.178 0.20 . 1 . . . . . 168 LEU N . 19139 1 778 . 1 1 169 169 ILE H H 1 8.608 0.02 . 1 . . . . . 169 ILE H . 19139 1 779 . 1 1 169 169 ILE C C 13 178.144 0.20 . 1 . . . . . 169 ILE C . 19139 1 780 . 1 1 169 169 ILE CA C 13 66.767 0.20 . 1 . . . . . 169 ILE CA . 19139 1 781 . 1 1 169 169 ILE CB C 13 37.932 0.20 . 1 . . . . . 169 ILE CB . 19139 1 782 . 1 1 169 169 ILE N N 15 119.484 0.20 . 1 . . . . . 169 ILE N . 19139 1 783 . 1 1 170 170 THR H H 1 8.232 0.02 . 1 . . . . . 170 THR H . 19139 1 784 . 1 1 170 170 THR C C 13 176.223 0.20 . 1 . . . . . 170 THR C . 19139 1 785 . 1 1 170 170 THR CA C 13 67.264 0.20 . 1 . . . . . 170 THR CA . 19139 1 786 . 1 1 170 170 THR CB C 13 68.660 0.20 . 1 . . . . . 170 THR CB . 19139 1 787 . 1 1 170 170 THR N N 15 115.993 0.20 . 1 . . . . . 170 THR N . 19139 1 788 . 1 1 171 171 SER H H 1 8.380 0.02 . 1 . . . . . 171 SER H . 19139 1 789 . 1 1 171 171 SER C C 13 176.337 0.20 . 1 . . . . . 171 SER C . 19139 1 790 . 1 1 171 171 SER CA C 13 62.756 0.20 . 1 . . . . . 171 SER CA . 19139 1 791 . 1 1 171 171 SER CB C 13 62.737 0.20 . 1 . . . . . 171 SER CB . 19139 1 792 . 1 1 171 171 SER N N 15 117.489 0.20 . 1 . . . . . 171 SER N . 19139 1 793 . 1 1 172 172 MET H H 1 8.467 0.02 . 1 . . . . . 172 MET H . 19139 1 794 . 1 1 172 172 MET C C 13 180.482 0.20 . 1 . . . . . 172 MET C . 19139 1 795 . 1 1 172 172 MET CA C 13 58.636 0.20 . 1 . . . . . 172 MET CA . 19139 1 796 . 1 1 172 172 MET CB C 13 34.180 0.20 . 1 . . . . . 172 MET CB . 19139 1 797 . 1 1 172 172 MET N N 15 119.482 0.20 . 1 . . . . . 172 MET N . 19139 1 798 . 1 1 173 173 ARG H H 1 8.858 0.02 . 1 . . . . . 173 ARG H . 19139 1 799 . 1 1 173 173 ARG C C 13 179.039 0.20 . 1 . . . . . 173 ARG C . 19139 1 800 . 1 1 173 173 ARG CA C 13 60.300 0.20 . 1 . . . . . 173 ARG CA . 19139 1 801 . 1 1 173 173 ARG CB C 13 29.883 0.20 . 1 . . . . . 173 ARG CB . 19139 1 802 . 1 1 173 173 ARG N N 15 121.773 0.20 . 1 . . . . . 173 ARG N . 19139 1 803 . 1 1 174 174 ASP H H 1 8.429 0.02 . 1 . . . . . 174 ASP H . 19139 1 804 . 1 1 174 174 ASP C C 13 177.571 0.20 . 1 . . . . . 174 ASP C . 19139 1 805 . 1 1 174 174 ASP CA C 13 56.883 0.20 . 1 . . . . . 174 ASP CA . 19139 1 806 . 1 1 174 174 ASP CB C 13 40.984 0.20 . 1 . . . . . 174 ASP CB . 19139 1 807 . 1 1 174 174 ASP N N 15 119.279 0.20 . 1 . . . . . 174 ASP N . 19139 1 808 . 1 1 175 175 LYS H H 1 7.074 0.02 . 1 . . . . . 175 LYS H . 19139 1 809 . 1 1 175 175 LYS C C 13 174.729 0.20 . 1 . . . . . 175 LYS C . 19139 1 810 . 1 1 175 175 LYS CA C 13 53.726 0.20 . 1 . . . . . 175 LYS CA . 19139 1 811 . 1 1 175 175 LYS CB C 13 32.229 0.20 . 1 . . . . . 175 LYS CB . 19139 1 812 . 1 1 175 175 LYS N N 15 115.176 0.20 . 1 . . . . . 175 LYS N . 19139 1 813 . 1 1 176 176 ALA H H 1 7.030 0.02 . 1 . . . . . 176 ALA H . 19139 1 814 . 1 1 176 176 ALA C C 13 175.643 0.20 . 1 . . . . . 176 ALA C . 19139 1 815 . 1 1 176 176 ALA CA C 13 51.035 0.20 . 1 . . . . . 176 ALA CA . 19139 1 816 . 1 1 176 176 ALA CB C 13 18.005 0.20 . 1 . . . . . 176 ALA CB . 19139 1 817 . 1 1 176 176 ALA N N 15 122.414 0.20 . 1 . . . . . 176 ALA N . 19139 1 818 . 1 1 177 177 PRO C C 13 177.115 0.20 . 1 . . . . . 177 PRO C . 19139 1 819 . 1 1 177 177 PRO CA C 13 63.064 0.20 . 1 . . . . . 177 PRO CA . 19139 1 820 . 1 1 177 177 PRO CB C 13 31.858 0.20 . 1 . . . . . 177 PRO CB . 19139 1 821 . 1 1 178 178 GLY H H 1 8.282 0.02 . 1 . . . . . 178 GLY H . 19139 1 822 . 1 1 178 178 GLY C C 13 174.158 0.20 . 1 . . . . . 178 GLY C . 19139 1 823 . 1 1 178 178 GLY CA C 13 45.329 0.20 . 1 . . . . . 178 GLY CA . 19139 1 824 . 1 1 178 178 GLY N N 15 108.395 0.20 . 1 . . . . . 178 GLY N . 19139 1 825 . 1 1 179 179 GLN H H 1 8.078 0.02 . 1 . . . . . 179 GLN H . 19139 1 826 . 1 1 179 179 GLN C C 13 175.088 0.20 . 1 . . . . . 179 GLN C . 19139 1 827 . 1 1 179 179 GLN CA C 13 55.522 0.20 . 1 . . . . . 179 GLN CA . 19139 1 828 . 1 1 179 179 GLN CB C 13 29.772 0.20 . 1 . . . . . 179 GLN CB . 19139 1 829 . 1 1 179 179 GLN N N 15 119.607 0.20 . 1 . . . . . 179 GLN N . 19139 1 830 . 1 1 180 180 LEU H H 1 7.860 0.02 . 1 . . . . . 180 LEU H . 19139 1 831 . 1 1 180 180 LEU C C 13 172.466 0.20 . 1 . . . . . 180 LEU C . 19139 1 832 . 1 1 180 180 LEU CA C 13 56.704 0.20 . 1 . . . . . 180 LEU CA . 19139 1 833 . 1 1 180 180 LEU CB C 13 43.350 0.20 . 1 . . . . . 180 LEU CB . 19139 1 834 . 1 1 180 180 LEU N N 15 129.188 0.20 . 1 . . . . . 180 LEU N . 19139 1 stop_ save_