data_30656 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 30656 _Entry.Title ; Solution NMR structure of the DNAJB6b deltaST variant (Aligned on the CTD domain) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2019-08-22 _Entry.Accession_date 2019-08-22 _Entry.Last_release_date 2019-09-18 _Entry.Original_release_date 2019-09-18 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.1.32 _Entry.NMR_STAR_dict_location . _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_experimental_methods.ID _Entry_experimental_methods.Method _Entry_experimental_methods.Subtype _Entry_experimental_methods.Entry_ID 1 'SOLUTION NMR' 'SOLUTION NMR' 30656 stop_ 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 T. Karamanos T. K. . . 30656 2 G. Clore G. M. . . 30656 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID Antiaggregation . 30656 CHAPERONE . 30656 Hsp40 . 30656 amyloid . 30656 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 30656 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 535 30656 '15N chemical shifts' 159 30656 '1H chemical shifts' 283 30656 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 . . 2019-10-04 . original BMRB . 30656 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 6U3S . 30656 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 30656 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Unravelling the structure and dynamics of the human DNAJB6b chaperone by NMR reveals insights into Hsp40-mediated proteostasis ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'To be published' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD 0353 _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 T. Karamanos T. K. . . 30656 1 2 V. Tugarinov V. T. . . 30656 1 3 G. Clore G. M. . . 30656 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 30656 _Assembly.ID 1 _Assembly.Name 'DnaJ homolog subfamily B member 6' _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 entity_1 1 $entity_1 A A yes . . . . . . 30656 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 30656 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GMVDYYEVLGVQRHASPEDI KKAYRKLALKWHPDKNPENK EEAERKFKQVAEAYEVLSDA KKRDIYDKYGKEGLNGGGGG GSHFDSPFEFGFTFRNPDDV FREFFGGRDPFSFDFFEDPF EDFFGNRRGPRGGMGNFKSI STSTKMVNGRKITTKRIVEN GQERVEVEEDGQLKSLTING KEQLLRLDNK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 190 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 21831.303 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID HHDJ1 na 30656 1 HSJ-2 na 30656 1 'Heat shock protein J2' na 30656 1 MRJ na 30656 1 MSJ-1 na 30656 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . GLY . 30656 1 2 . MET . 30656 1 3 . VAL . 30656 1 4 . ASP . 30656 1 5 . TYR . 30656 1 6 . TYR . 30656 1 7 . GLU . 30656 1 8 . VAL . 30656 1 9 . LEU . 30656 1 10 . GLY . 30656 1 11 . VAL . 30656 1 12 . GLN . 30656 1 13 . ARG . 30656 1 14 . HIS . 30656 1 15 . ALA . 30656 1 16 . SER . 30656 1 17 . PRO . 30656 1 18 . GLU . 30656 1 19 . ASP . 30656 1 20 . ILE . 30656 1 21 . LYS . 30656 1 22 . LYS . 30656 1 23 . ALA . 30656 1 24 . TYR . 30656 1 25 . ARG . 30656 1 26 . LYS . 30656 1 27 . LEU . 30656 1 28 . ALA . 30656 1 29 . LEU . 30656 1 30 . LYS . 30656 1 31 . TRP . 30656 1 32 . HIS . 30656 1 33 . PRO . 30656 1 34 . ASP . 30656 1 35 . LYS . 30656 1 36 . ASN . 30656 1 37 . PRO . 30656 1 38 . GLU . 30656 1 39 . ASN . 30656 1 40 . LYS . 30656 1 41 . GLU . 30656 1 42 . GLU . 30656 1 43 . ALA . 30656 1 44 . GLU . 30656 1 45 . ARG . 30656 1 46 . LYS . 30656 1 47 . PHE . 30656 1 48 . LYS . 30656 1 49 . GLN . 30656 1 50 . VAL . 30656 1 51 . ALA . 30656 1 52 . GLU . 30656 1 53 . ALA . 30656 1 54 . TYR . 30656 1 55 . GLU . 30656 1 56 . VAL . 30656 1 57 . LEU . 30656 1 58 . SER . 30656 1 59 . ASP . 30656 1 60 . ALA . 30656 1 61 . LYS . 30656 1 62 . LYS . 30656 1 63 . ARG . 30656 1 64 . ASP . 30656 1 65 . ILE . 30656 1 66 . TYR . 30656 1 67 . ASP . 30656 1 68 . LYS . 30656 1 69 . TYR . 30656 1 70 . GLY . 30656 1 71 . LYS . 30656 1 72 . GLU . 30656 1 73 . GLY . 30656 1 74 . LEU . 30656 1 75 . ASN . 30656 1 76 . GLY . 30656 1 77 . GLY . 30656 1 78 . GLY . 30656 1 79 . GLY . 30656 1 80 . GLY . 30656 1 81 . GLY . 30656 1 82 . SER . 30656 1 83 . HIS . 30656 1 84 . PHE . 30656 1 85 . ASP . 30656 1 86 . SER . 30656 1 87 . PRO . 30656 1 88 . PHE . 30656 1 89 . GLU . 30656 1 90 . PHE . 30656 1 91 . GLY . 30656 1 92 . PHE . 30656 1 93 . THR . 30656 1 94 . PHE . 30656 1 95 . ARG . 30656 1 96 . ASN . 30656 1 97 . PRO . 30656 1 98 . ASP . 30656 1 99 . ASP . 30656 1 100 . VAL . 30656 1 101 . PHE . 30656 1 102 . ARG . 30656 1 103 . GLU . 30656 1 104 . PHE . 30656 1 105 . PHE . 30656 1 106 . GLY . 30656 1 107 . GLY . 30656 1 108 . ARG . 30656 1 109 . ASP . 30656 1 110 . PRO . 30656 1 111 . PHE . 30656 1 112 . SER . 30656 1 113 . PHE . 30656 1 114 . ASP . 30656 1 115 . PHE . 30656 1 116 . PHE . 30656 1 117 . GLU . 30656 1 118 . ASP . 30656 1 119 . PRO . 30656 1 120 . PHE . 30656 1 121 . GLU . 30656 1 122 . ASP . 30656 1 123 . PHE . 30656 1 124 . PHE . 30656 1 125 . GLY . 30656 1 126 . ASN . 30656 1 127 . ARG . 30656 1 128 . ARG . 30656 1 129 . GLY . 30656 1 130 . PRO . 30656 1 131 . ARG . 30656 1 132 . GLY . 30656 1 133 . GLY . 30656 1 134 . MET . 30656 1 135 . GLY . 30656 1 136 . ASN . 30656 1 137 . PHE . 30656 1 138 . LYS . 30656 1 139 . SER . 30656 1 140 . ILE . 30656 1 141 . SER . 30656 1 142 . THR . 30656 1 143 . SER . 30656 1 144 . THR . 30656 1 145 . LYS . 30656 1 146 . MET . 30656 1 147 . VAL . 30656 1 148 . ASN . 30656 1 149 . GLY . 30656 1 150 . ARG . 30656 1 151 . LYS . 30656 1 152 . ILE . 30656 1 153 . THR . 30656 1 154 . THR . 30656 1 155 . LYS . 30656 1 156 . ARG . 30656 1 157 . ILE . 30656 1 158 . VAL . 30656 1 159 . GLU . 30656 1 160 . ASN . 30656 1 161 . GLY . 30656 1 162 . GLN . 30656 1 163 . GLU . 30656 1 164 . ARG . 30656 1 165 . VAL . 30656 1 166 . GLU . 30656 1 167 . VAL . 30656 1 168 . GLU . 30656 1 169 . GLU . 30656 1 170 . ASP . 30656 1 171 . GLY . 30656 1 172 . GLN . 30656 1 173 . LEU . 30656 1 174 . LYS . 30656 1 175 . SER . 30656 1 176 . LEU . 30656 1 177 . THR . 30656 1 178 . ILE . 30656 1 179 . ASN . 30656 1 180 . GLY . 30656 1 181 . LYS . 30656 1 182 . GLU . 30656 1 183 . GLN . 30656 1 184 . LEU . 30656 1 185 . LEU . 30656 1 186 . ARG . 30656 1 187 . LEU . 30656 1 188 . ASP . 30656 1 189 . ASN . 30656 1 190 . LYS . 30656 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 30656 1 . MET 2 2 30656 1 . VAL 3 3 30656 1 . ASP 4 4 30656 1 . TYR 5 5 30656 1 . TYR 6 6 30656 1 . GLU 7 7 30656 1 . VAL 8 8 30656 1 . LEU 9 9 30656 1 . GLY 10 10 30656 1 . VAL 11 11 30656 1 . GLN 12 12 30656 1 . ARG 13 13 30656 1 . HIS 14 14 30656 1 . ALA 15 15 30656 1 . SER 16 16 30656 1 . PRO 17 17 30656 1 . GLU 18 18 30656 1 . ASP 19 19 30656 1 . ILE 20 20 30656 1 . LYS 21 21 30656 1 . LYS 22 22 30656 1 . ALA 23 23 30656 1 . TYR 24 24 30656 1 . ARG 25 25 30656 1 . LYS 26 26 30656 1 . LEU 27 27 30656 1 . ALA 28 28 30656 1 . LEU 29 29 30656 1 . LYS 30 30 30656 1 . TRP 31 31 30656 1 . HIS 32 32 30656 1 . PRO 33 33 30656 1 . ASP 34 34 30656 1 . LYS 35 35 30656 1 . ASN 36 36 30656 1 . PRO 37 37 30656 1 . GLU 38 38 30656 1 . ASN 39 39 30656 1 . LYS 40 40 30656 1 . GLU 41 41 30656 1 . GLU 42 42 30656 1 . ALA 43 43 30656 1 . GLU 44 44 30656 1 . ARG 45 45 30656 1 . LYS 46 46 30656 1 . PHE 47 47 30656 1 . LYS 48 48 30656 1 . GLN 49 49 30656 1 . VAL 50 50 30656 1 . ALA 51 51 30656 1 . GLU 52 52 30656 1 . ALA 53 53 30656 1 . TYR 54 54 30656 1 . GLU 55 55 30656 1 . VAL 56 56 30656 1 . LEU 57 57 30656 1 . SER 58 58 30656 1 . ASP 59 59 30656 1 . ALA 60 60 30656 1 . LYS 61 61 30656 1 . LYS 62 62 30656 1 . ARG 63 63 30656 1 . ASP 64 64 30656 1 . ILE 65 65 30656 1 . TYR 66 66 30656 1 . ASP 67 67 30656 1 . LYS 68 68 30656 1 . TYR 69 69 30656 1 . GLY 70 70 30656 1 . LYS 71 71 30656 1 . GLU 72 72 30656 1 . GLY 73 73 30656 1 . LEU 74 74 30656 1 . ASN 75 75 30656 1 . GLY 76 76 30656 1 . GLY 77 77 30656 1 . GLY 78 78 30656 1 . GLY 79 79 30656 1 . GLY 80 80 30656 1 . GLY 81 81 30656 1 . SER 82 82 30656 1 . HIS 83 83 30656 1 . PHE 84 84 30656 1 . ASP 85 85 30656 1 . SER 86 86 30656 1 . PRO 87 87 30656 1 . PHE 88 88 30656 1 . GLU 89 89 30656 1 . PHE 90 90 30656 1 . GLY 91 91 30656 1 . PHE 92 92 30656 1 . THR 93 93 30656 1 . PHE 94 94 30656 1 . ARG 95 95 30656 1 . ASN 96 96 30656 1 . PRO 97 97 30656 1 . ASP 98 98 30656 1 . ASP 99 99 30656 1 . VAL 100 100 30656 1 . PHE 101 101 30656 1 . ARG 102 102 30656 1 . GLU 103 103 30656 1 . PHE 104 104 30656 1 . PHE 105 105 30656 1 . GLY 106 106 30656 1 . GLY 107 107 30656 1 . ARG 108 108 30656 1 . ASP 109 109 30656 1 . PRO 110 110 30656 1 . PHE 111 111 30656 1 . SER 112 112 30656 1 . PHE 113 113 30656 1 . ASP 114 114 30656 1 . PHE 115 115 30656 1 . PHE 116 116 30656 1 . GLU 117 117 30656 1 . ASP 118 118 30656 1 . PRO 119 119 30656 1 . PHE 120 120 30656 1 . GLU 121 121 30656 1 . ASP 122 122 30656 1 . PHE 123 123 30656 1 . PHE 124 124 30656 1 . GLY 125 125 30656 1 . ASN 126 126 30656 1 . ARG 127 127 30656 1 . ARG 128 128 30656 1 . GLY 129 129 30656 1 . PRO 130 130 30656 1 . ARG 131 131 30656 1 . GLY 132 132 30656 1 . GLY 133 133 30656 1 . MET 134 134 30656 1 . GLY 135 135 30656 1 . ASN 136 136 30656 1 . PHE 137 137 30656 1 . LYS 138 138 30656 1 . SER 139 139 30656 1 . ILE 140 140 30656 1 . SER 141 141 30656 1 . THR 142 142 30656 1 . SER 143 143 30656 1 . THR 144 144 30656 1 . LYS 145 145 30656 1 . MET 146 146 30656 1 . VAL 147 147 30656 1 . ASN 148 148 30656 1 . GLY 149 149 30656 1 . ARG 150 150 30656 1 . LYS 151 151 30656 1 . ILE 152 152 30656 1 . THR 153 153 30656 1 . THR 154 154 30656 1 . LYS 155 155 30656 1 . ARG 156 156 30656 1 . ILE 157 157 30656 1 . VAL 158 158 30656 1 . GLU 159 159 30656 1 . ASN 160 160 30656 1 . GLY 161 161 30656 1 . GLN 162 162 30656 1 . GLU 163 163 30656 1 . ARG 164 164 30656 1 . VAL 165 165 30656 1 . GLU 166 166 30656 1 . VAL 167 167 30656 1 . GLU 168 168 30656 1 . GLU 169 169 30656 1 . ASP 170 170 30656 1 . GLY 171 171 30656 1 . GLN 172 172 30656 1 . LEU 173 173 30656 1 . LYS 174 174 30656 1 . SER 175 175 30656 1 . LEU 176 176 30656 1 . THR 177 177 30656 1 . ILE 178 178 30656 1 . ASN 179 179 30656 1 . GLY 180 180 30656 1 . LYS 181 181 30656 1 . GLU 182 182 30656 1 . GLN 183 183 30656 1 . LEU 184 184 30656 1 . LEU 185 185 30656 1 . ARG 186 186 30656 1 . LEU 187 187 30656 1 . ASP 188 188 30656 1 . ASN 189 189 30656 1 . LYS 190 190 30656 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 30656 _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 $entity_1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . 'DNAJB6, HSJ2, MRJ, MSJ1' . 30656 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 30656 _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 $entity_1 . 'recombinant technology' 'Escherichia coli BL21(DE3)' . . 469008 . . BL21(DE3) . . plamid . . pET15b . . . 30656 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 30656 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 2e-04 M [U-13C; U-15N; U-2H] DNAJB6b deltaST variant. This variant is missing residues 132-183 in comparison to the full-length DNAJB6b, 0.05 M sodium chloride, 0.02 % w/v sodium azide, 0.02 M sodium phosphate, 90% H2O/10% D2O ; _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 'DNAJB6b deltaST variant' '[U-13C; U-15N; U-2H]' . . 1 $entity_1 . . 2e-04 . . M . . . . 30656 1 2 'sodium chloride' 'natural abundance' . . . . . . 0.05 . . M . . . . 30656 1 3 'sodium azide' 'natural abundance' . . . . . . 0.02 . . '% w/v' . . . . 30656 1 4 'sodium phosphate' 'natural abundance' . . . . . . 0.02 . . M . . . . 30656 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 30656 _Sample.ID 2 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 2e-04 M [ILV-CH3; U-13C; U-15N; U-2H] DNAJB6b deltaST variant. This variant is missing residues 132-183 in comparison to the full-length DNAJB6b, 0.05 M sodium chloride, 0.02 % w/v sodium azide, 0.02 M sodium phosphate, 100% D2O ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% 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 'DNAJB6b deltaST variant' '[ILV-CH3; U-13C; U-15N; U-2H]' . . 1 $entity_1 . . 2e-04 . . M . . . . 30656 2 2 'sodium chloride' 'natural abundance' . . . . . . 0.05 . . M . . . . 30656 2 3 'sodium azide' 'natural abundance' . . . . . . 0.02 . . '% w/v' . . . . 30656 2 4 'sodium phosphate' 'natural abundance' . . . . . . 0.02 . . M . . . . 30656 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 30656 _Sample.ID 3 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 2e-04 M [ILV-CH3; U-15N; U-2H] DNAJB6b deltaST variant. This variant is missing residues 132-183 in comparison to the full-length DNAJB6b, 0.05 M sodium chloride, 0.02 % w/v sodium azide, 0.02 M sodium phosphate, 100% D2O ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% 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 'DNAJB6b deltaST variant' '[ILV-CH3; U-15N; U-2H]' . . 1 $entity_1 . . 2e-04 . . M . . . . 30656 3 2 'sodium chloride' 'natural abundance' . . . . . . 0.05 . . M . . . . 30656 3 3 'sodium azide' 'natural abundance' . . . . . . 0.02 . . '% w/v' . . . . 30656 3 4 'sodium phosphate' 'natural abundance' . . . . . . 0.02 . . M . . . . 30656 3 stop_ save_ save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 30656 _Sample.ID 4 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 2e-04 M [U-13C; U-15N] DNAJB6b deltaST variant. This variant is missing residues 132-183 in comparison to the full-length DNAJB6b, 0.05 M sodium chloride, 0.02 % w/v sodium azide, 0.02 M sodium phosphate, 90% H2O/10% D2O ; _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 'DNAJB6b deltaST variant' '[U-13C; U-15N]' . . 1 $entity_1 . . 2e-04 . . M . . . . 30656 4 2 'sodium chloride' 'natural abundance' . . . . . . 0.05 . . M . . . . 30656 4 3 'sodium azide' 'natural abundance' . . . . . . 0.02 . . '% w/v' . . . . 30656 4 4 'sodium phosphate' 'natural abundance' . . . . . . 0.02 . . M . . . . 30656 4 stop_ save_ save_sample_5 _Sample.Sf_category sample _Sample.Sf_framecode sample_5 _Sample.Entry_ID 30656 _Sample.ID 5 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 2e-04 M [U-15N;U-2H] DNAJB6b deltaST variant. This variant is missing residues 132-183 in comparison to the full-length DNAJB6b, 0.05 M sodium chloride, 0.02 % w/v sodium azide, 0.02 M sodium phosphate, 90% H2O/10% D2O ; _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 'DNAJB6b deltaST variant' [U-15N;U-2H] . . 1 $entity_1 . . 2e-04 . . M . . . . 30656 5 2 'sodium chloride' 'natural abundance' . . . . . . 0.05 . . M . . . . 30656 5 3 'sodium azide' 'natural abundance' . . . . . . 0.02 . . '% w/v' . . . . 30656 5 4 'sodium phosphate' 'natural abundance' . . . . . . 0.02 . . M . . . . 30656 5 stop_ save_ save_sample_6 _Sample.Sf_category sample _Sample.Sf_framecode sample_6 _Sample.Entry_ID 30656 _Sample.ID 6 _Sample.Name . _Sample.Type 'filamentous virus' _Sample.Sub_type . _Sample.Details ; 2e-04 M [U-15N;U-2H] DNAJB6b deltaST variant. This variant is missing residues 132-183 in comparison to the full-length DNAJB6b, 0.1 M sodium chloride, 0.02 % w/v sodium azide, 0.02 M sodium phosphate, 90% H2O/10% D2O ; _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 'DNAJB6b deltaST variant' [U-15N;U-2H] . . 1 $entity_1 . . 2e-04 . . M . . . . 30656 6 2 'sodium chloride' 'natural abundance' . . . . . . 0.1 . . M . . . . 30656 6 3 'sodium azide' 'natural abundance' . . . . . . 0.02 . . '% w/v' . . . . 30656 6 4 'sodium phosphate' 'natural abundance' . . . . . . 0.02 . . M . . . . 30656 6 stop_ save_ save_sample_7 _Sample.Sf_category sample _Sample.Sf_framecode sample_7 _Sample.Entry_ID 30656 _Sample.ID 7 _Sample.Name . _Sample.Type 'gel solution' _Sample.Sub_type . _Sample.Details ; 0.0002 M [U-15N;U-2H] DNAJB6b deltaST variant. This variant is missing residues 132-183 in comparison to the full-length DNAJB6b, 0.05 M sodium chloride, 0.02 % w/v sodium azide, 0.02 M sodium phosphate, 90% H2O/10% D2O ; _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 'DNAJB6b deltaST variant' [U-15N;U-2H] . . 1 $entity_1 . . 0.0002 . . M . . . . 30656 7 2 'sodium chloride' 'natural abundance' . . . . . . 0.05 . . M . . . . 30656 7 3 'sodium azide' 'natural abundance' . . . . . . 0.02 . . '% w/v' . . . . 30656 7 4 'sodium phosphate' 'natural abundance' . . . . . . 0.02 . . M . . . . 30656 7 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 30656 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _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' 87 . mM 30656 1 pH 6.7 . pH 30656 1 pressure 1 . atm 30656 1 temperature 298 . K 30656 1 stop_ save_ save_sample_conditions_2 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_2 _Sample_condition_list.Entry_ID 30656 _Sample_condition_list.ID 2 _Sample_condition_list.Name . _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' 145 . mM 30656 2 pH 7 0.1 pH 30656 2 pressure 1 . atm 30656 2 temperature 298 . K 30656 2 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 30656 _Software.ID 1 _Software.Type . _Software.Name CS-ROSETTA _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Shen, Vernon, Baker and Bax' . . 30656 1 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . refinement 30656 1 . 'structure calculation' 30656 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 30656 _Software.ID 2 _Software.Type . _Software.Name 'CcpNmr Analysis' _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 30656 2 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'chemical shift assignment' 30656 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 30656 _Software.ID 3 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 30656 3 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . processing 30656 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 30656 _Software.ID 4 _Software.Type . _Software.Name NMRDraw _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 30656 4 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'peak picking' 30656 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 30656 _Software.ID 5 _Software.Type . _Software.Name 'X-PLOR NIH' _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 30656 5 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'structure calculation' 30656 5 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 30656 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 30656 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_3 _NMR_spectrometer.Entry_ID 30656 _NMR_spectrometer.ID 3 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_4 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_4 _NMR_spectrometer.Entry_ID 30656 _NMR_spectrometer.ID 4 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 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 30656 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . 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 NMR_spectrometer_1 Bruker 'AVANCE III' . 500 . . . 30656 1 2 NMR_spectrometer_2 Bruker 'AVANCE III' . 600 . . . 30656 1 3 NMR_spectrometer_3 Bruker 'AVANCE III' . 800 . . . 30656 1 4 NMR_spectrometer_4 Bruker 'AVANCE III' . 900 . . . 30656 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 30656 _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 TROSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 30656 1 2 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 30656 1 3 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 30656 1 4 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30656 1 5 '2D 1H-13C HMQC' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 30656 1 6 '2D 1H-13C HMQC constant time' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 30656 1 7 '3D HMCMCBCA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 30656 1 8 '3D HMCM(CBCA)CO' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 30656 1 9 '3D HHN NOESY-TROSY' no . . . . . . . . . . 5 $sample_5 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . 30656 1 10 '3D HHC NOESY-HMQC' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 4 $NMR_spectrometer_4 . . . . . . . . . . . . . . . . 30656 1 11 '3D HHC HMQC-NOESY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 30656 1 12 '3D HCC HMQC-NOESY-HMQC' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 4 $NMR_spectrometer_4 . . . . . . . . . . . . . . . . 30656 1 13 '2D HN PRE' no . . . . . . . . . . 5 $sample_5 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30656 1 14 '2D HN ARTSY PF1' no . . . . . . . . . . 6 $sample_6 anisotropic . . 2 $sample_conditions_2 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . 30656 1 15 '3D HNCO' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 30656 1 16 '2D HN ARTSY PegHex' no . . . . . . . . . . 7 $sample_7 anisotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . 30656 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 30656 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _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 water protons . . . . ppm 4.78 internal indirect 0.101 . . . . . 30656 1 H 1 water protons . . . . ppm 4.78 internal direct 1 . . . . . 30656 1 N 15 water protons . . . . ppm 4.78 internal indirect 0.251 . . . . . 30656 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_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 30656 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _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 $chem_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 TROSY' . . . 30656 1 2 '3D HNCACB' . . . 30656 1 3 '3D HNCA' . . . 30656 1 4 '3D HNCO' . . . 30656 1 5 '2D 1H-13C HMQC' . . . 30656 1 6 '2D 1H-13C HMQC constant time' . . . 30656 1 7 '3D HMCMCBCA' . . . 30656 1 8 '3D HMCM(CBCA)CO' . . . 30656 1 9 '3D HHN NOESY-TROSY' . . . 30656 1 10 '3D HHC NOESY-HMQC' . . . 30656 1 11 '3D HHC HMQC-NOESY' . . . 30656 1 12 '3D HCC HMQC-NOESY-HMQC' . . . 30656 1 13 '2D HN PRE' . . . 30656 1 14 '2D HN ARTSY PF1' . . . 30656 1 15 '3D HNCO' . . . 30656 1 16 '2D HN ARTSY PegHex' . . . 30656 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 MET C C 13 175.753 . . 1 . . 1781 . A 2 MET C . 30656 1 2 . 1 1 2 2 MET CA C 13 55.474 . . 1 . . 1412 . A 2 MET CA . 30656 1 3 . 1 1 2 2 MET CB C 13 33.708 . . 1 . . 1413 . A 2 MET CB . 30656 1 4 . 1 1 3 3 VAL H H 1 8.126 0.071 . 1 . . 923 . A 3 VAL H . 30656 1 5 . 1 1 3 3 VAL HG11 H 1 0.649 0.003 . 2 . . 1682 . A 3 VAL HG11 . 30656 1 6 . 1 1 3 3 VAL HG12 H 1 0.649 0.003 . 2 . . 1682 . A 3 VAL HG12 . 30656 1 7 . 1 1 3 3 VAL HG13 H 1 0.649 0.003 . 2 . . 1682 . A 3 VAL HG13 . 30656 1 8 . 1 1 3 3 VAL HG21 H 1 0.752 0.002 . 2 . . 1684 . A 3 VAL HG21 . 30656 1 9 . 1 1 3 3 VAL HG22 H 1 0.752 0.002 . 2 . . 1684 . A 3 VAL HG22 . 30656 1 10 . 1 1 3 3 VAL HG23 H 1 0.752 0.002 . 2 . . 1684 . A 3 VAL HG23 . 30656 1 11 . 1 1 3 3 VAL C C 13 174.457 . . 1 . . 1782 . A 3 VAL C . 30656 1 12 . 1 1 3 3 VAL CA C 13 61.982 0.003 . 1 . . 1411 . A 3 VAL CA . 30656 1 13 . 1 1 3 3 VAL CB C 13 32.922 0.007 . 1 . . 1410 . A 3 VAL CB . 30656 1 14 . 1 1 3 3 VAL CG1 C 13 20.827 0.063 . 2 . . 1683 . A 3 VAL CG1 . 30656 1 15 . 1 1 3 3 VAL CG2 C 13 20.663 0.053 . 2 . . 1685 . A 3 VAL CG2 . 30656 1 16 . 1 1 3 3 VAL N N 15 123.088 0.063 . 1 . . 924 . A 3 VAL N . 30656 1 17 . 1 1 4 4 ASP H H 1 8.522 0.03 . 1 . . 1152 . A 4 ASP H . 30656 1 18 . 1 1 4 4 ASP C C 13 176.924 . . 1 . . 1783 . A 4 ASP C . 30656 1 19 . 1 1 4 4 ASP CA C 13 52.394 0.006 . 1 . . 1409 . A 4 ASP CA . 30656 1 20 . 1 1 4 4 ASP CB C 13 41.966 0.002 . 1 . . 1408 . A 4 ASP CB . 30656 1 21 . 1 1 4 4 ASP N N 15 125.255 0.085 . 1 . . 1153 . A 4 ASP N . 30656 1 22 . 1 1 5 5 TYR H H 1 7.775 0.004 . 1 . . 957 . A 5 TYR H . 30656 1 23 . 1 1 5 5 TYR C C 13 177.296 . . 1 . . 1784 . A 5 TYR C . 30656 1 24 . 1 1 5 5 TYR CA C 13 59.295 0.005 . 1 . . 1407 . A 5 TYR CA . 30656 1 25 . 1 1 5 5 TYR CB C 13 38.317 0.048 . 1 . . 1406 . A 5 TYR CB . 30656 1 26 . 1 1 5 5 TYR N N 15 123.224 0.035 . 1 . . 958 . A 5 TYR N . 30656 1 27 . 1 1 6 6 TYR H H 1 7.998 0.005 . 1 . . 746 . A 6 TYR H . 30656 1 28 . 1 1 6 6 TYR C C 13 178.256 . . 1 . . 1785 . A 6 TYR C . 30656 1 29 . 1 1 6 6 TYR CA C 13 62.486 0.018 . 1 . . 1405 . A 6 TYR CA . 30656 1 30 . 1 1 6 6 TYR CB C 13 36.027 0.008 . 1 . . 1404 . A 6 TYR CB . 30656 1 31 . 1 1 6 6 TYR N N 15 116.727 0.044 . 1 . . 747 . A 6 TYR N . 30656 1 32 . 1 1 7 7 GLU H H 1 7.659 0.005 . 1 . . 995 . A 7 GLU H . 30656 1 33 . 1 1 7 7 GLU C C 13 180.399 . . 1 . . 1786 . A 7 GLU C . 30656 1 34 . 1 1 7 7 GLU CA C 13 58.879 0.033 . 1 . . 1402 . A 7 GLU CA . 30656 1 35 . 1 1 7 7 GLU CB C 13 29.509 0.0 . 1 . . 1403 . A 7 GLU CB . 30656 1 36 . 1 1 7 7 GLU N N 15 120.227 0.035 . 1 . . 996 . A 7 GLU N . 30656 1 37 . 1 1 8 8 VAL H H 1 8.087 0.012 . 1 . . 1072 . A 8 VAL H . 30656 1 38 . 1 1 8 8 VAL HG11 H 1 0.822 0.004 . 2 . . 1625 . A 8 VAL HG11 . 30656 1 39 . 1 1 8 8 VAL HG12 H 1 0.822 0.004 . 2 . . 1625 . A 8 VAL HG12 . 30656 1 40 . 1 1 8 8 VAL HG13 H 1 0.822 0.004 . 2 . . 1625 . A 8 VAL HG13 . 30656 1 41 . 1 1 8 8 VAL HG21 H 1 1.019 0.002 . 2 . . 1626 . A 8 VAL HG21 . 30656 1 42 . 1 1 8 8 VAL HG22 H 1 1.019 0.002 . 2 . . 1626 . A 8 VAL HG22 . 30656 1 43 . 1 1 8 8 VAL HG23 H 1 1.019 0.002 . 2 . . 1626 . A 8 VAL HG23 . 30656 1 44 . 1 1 8 8 VAL C C 13 177.616 . . 1 . . 1787 . A 8 VAL C . 30656 1 45 . 1 1 8 8 VAL CA C 13 66.225 0.049 . 1 . . 1400 . A 8 VAL CA . 30656 1 46 . 1 1 8 8 VAL CB C 13 31.669 0.09 . 1 . . 1401 . A 8 VAL CB . 30656 1 47 . 1 1 8 8 VAL CG1 C 13 21.889 0.032 . 2 . . 1624 . A 8 VAL CG1 . 30656 1 48 . 1 1 8 8 VAL CG2 C 13 22.731 0.027 . 2 . . 1627 . A 8 VAL CG2 . 30656 1 49 . 1 1 8 8 VAL N N 15 119.846 0.021 . 1 . . 1073 . A 8 VAL N . 30656 1 50 . 1 1 9 9 LEU H H 1 7.044 0.003 . 1 . . 1118 . A 9 LEU H . 30656 1 51 . 1 1 9 9 LEU HD11 H 1 0.848 0.005 . 2 . . 1669 . A 9 LEU HD11 . 30656 1 52 . 1 1 9 9 LEU HD12 H 1 0.848 0.005 . 2 . . 1669 . A 9 LEU HD12 . 30656 1 53 . 1 1 9 9 LEU HD13 H 1 0.848 0.005 . 2 . . 1669 . A 9 LEU HD13 . 30656 1 54 . 1 1 9 9 LEU HD21 H 1 0.956 0.005 . 2 . . 1669 . A 9 LEU HD21 . 30656 1 55 . 1 1 9 9 LEU HD22 H 1 0.956 0.005 . 2 . . 1669 . A 9 LEU HD22 . 30656 1 56 . 1 1 9 9 LEU HD23 H 1 0.956 0.005 . 2 . . 1669 . A 9 LEU HD23 . 30656 1 57 . 1 1 9 9 LEU C C 13 175.820 0.144 . 1 . . 1729 . A 9 LEU C . 30656 1 58 . 1 1 9 9 LEU CA C 13 54.528 0.067 . 1 . . 1398 . A 9 LEU CA . 30656 1 59 . 1 1 9 9 LEU CB C 13 42.476 0.024 . 1 . . 1399 . A 9 LEU CB . 30656 1 60 . 1 1 9 9 LEU CG C 13 26.201 . . 1 . . 1671 . A 9 LEU CG . 30656 1 61 . 1 1 9 9 LEU CD1 C 13 26.224 0.024 . 2 . . 1670 . A 9 LEU CD1 . 30656 1 62 . 1 1 9 9 LEU CD2 C 13 22.734 0.024 . 2 . . 1670 . A 9 LEU CD2 . 30656 1 63 . 1 1 9 9 LEU N N 15 113.556 0.028 . 1 . . 1119 . A 9 LEU N . 30656 1 64 . 1 1 10 10 GLY H H 1 7.973 0.011 . 1 . . 1396 . A 10 GLY H . 30656 1 65 . 1 1 10 10 GLY C C 13 175.623 . . 1 . . 1788 . A 10 GLY C . 30656 1 66 . 1 1 10 10 GLY CA C 13 46.623 0.013 . 1 . . 1305 . A 10 GLY CA . 30656 1 67 . 1 1 10 10 GLY N N 15 109.003 0.078 . 1 . . 1397 . A 10 GLY N . 30656 1 68 . 1 1 11 11 VAL H H 1 7.959 0.007 . 1 . . 841 . A 11 VAL H . 30656 1 69 . 1 1 11 11 VAL HG11 H 1 0.936 0.002 . 2 . . 1620 . A 11 VAL HG11 . 30656 1 70 . 1 1 11 11 VAL HG12 H 1 0.936 0.002 . 2 . . 1620 . A 11 VAL HG12 . 30656 1 71 . 1 1 11 11 VAL HG13 H 1 0.936 0.002 . 2 . . 1620 . A 11 VAL HG13 . 30656 1 72 . 1 1 11 11 VAL HG21 H 1 0.768 0.002 . 2 . . 1623 . A 11 VAL HG21 . 30656 1 73 . 1 1 11 11 VAL HG22 H 1 0.768 0.002 . 2 . . 1623 . A 11 VAL HG22 . 30656 1 74 . 1 1 11 11 VAL HG23 H 1 0.768 0.002 . 2 . . 1623 . A 11 VAL HG23 . 30656 1 75 . 1 1 11 11 VAL C C 13 174.849 . . 1 . . 1789 . A 11 VAL C . 30656 1 76 . 1 1 11 11 VAL CA C 13 58.258 0.049 . 1 . . 1303 . A 11 VAL CA . 30656 1 77 . 1 1 11 11 VAL CB C 13 34.851 0.079 . 1 . . 1304 . A 11 VAL CB . 30656 1 78 . 1 1 11 11 VAL CG1 C 13 18.874 0.037 . 2 . . 1621 . A 11 VAL CG1 . 30656 1 79 . 1 1 11 11 VAL CG2 C 13 21.688 0.035 . 2 . . 1622 . A 11 VAL CG2 . 30656 1 80 . 1 1 11 11 VAL N N 15 110.516 0.034 . 1 . . 842 . A 11 VAL N . 30656 1 81 . 1 1 12 12 GLN H H 1 8.350 0.006 . 1 . . 736 . A 12 GLN H . 30656 1 82 . 1 1 12 12 GLN C C 13 176.843 . . 1 . . 1790 . A 12 GLN C . 30656 1 83 . 1 1 12 12 GLN CA C 13 54.627 0.006 . 1 . . 1301 . A 12 GLN CA . 30656 1 84 . 1 1 12 12 GLN CB C 13 29.818 0.011 . 1 . . 1302 . A 12 GLN CB . 30656 1 85 . 1 1 12 12 GLN N N 15 117.899 0.033 . 1 . . 737 . A 12 GLN N . 30656 1 86 . 1 1 13 13 ARG H H 1 8.268 0.008 . 1 . . 1064 . A 13 ARG H . 30656 1 87 . 1 1 13 13 ARG C C 13 176.794 . . 1 . . 1791 . A 13 ARG C . 30656 1 88 . 1 1 13 13 ARG CA C 13 58.238 0.003 . 1 . . 1299 . A 13 ARG CA . 30656 1 89 . 1 1 13 13 ARG CB C 13 29.257 . . 1 . . 1300 . A 13 ARG CB . 30656 1 90 . 1 1 13 13 ARG N N 15 117.675 0.028 . 1 . . 1065 . A 13 ARG N . 30656 1 91 . 1 1 14 14 HIS H H 1 7.342 0.011 . 1 . . 1012 . A 14 HIS H . 30656 1 92 . 1 1 14 14 HIS C C 13 174.754 . . 1 . . 1792 . A 14 HIS C . 30656 1 93 . 1 1 14 14 HIS CA C 13 54.454 0.02 . 1 . . 1298 . A 14 HIS CA . 30656 1 94 . 1 1 14 14 HIS CB C 13 28.600 0.007 . 1 . . 1297 . A 14 HIS CB . 30656 1 95 . 1 1 14 14 HIS N N 15 112.492 0.024 . 1 . . 1013 . A 14 HIS N . 30656 1 96 . 1 1 15 15 ALA H H 1 7.532 0.007 . 1 . . 819 . A 15 ALA H . 30656 1 97 . 1 1 15 15 ALA C C 13 177.779 . . 1 . . 1793 . A 15 ALA C . 30656 1 98 . 1 1 15 15 ALA CA C 13 52.911 0.006 . 1 . . 1296 . A 15 ALA CA . 30656 1 99 . 1 1 15 15 ALA CB C 13 19.638 0.012 . 1 . . 1294 . A 15 ALA CB . 30656 1 100 . 1 1 15 15 ALA N N 15 122.542 0.076 . 1 . . 820 . A 15 ALA N . 30656 1 101 . 1 1 16 16 SER H H 1 9.420 0.007 . 1 . . 1014 . A 16 SER H . 30656 1 102 . 1 1 16 16 SER CA C 13 56.534 . . 1 . . 1295 . A 16 SER CA . 30656 1 103 . 1 1 16 16 SER CB C 13 63.826 . . 1 . . 1293 . A 16 SER CB . 30656 1 104 . 1 1 16 16 SER N N 15 120.254 0.028 . 1 . . 1015 . A 16 SER N . 30656 1 105 . 1 1 17 17 PRO C C 13 179.701 . . 1 . . 1794 . A 17 PRO C . 30656 1 106 . 1 1 17 17 PRO CA C 13 65.986 . . 1 . . 1424 . A 17 PRO CA . 30656 1 107 . 1 1 17 17 PRO CB C 13 32.029 . . 1 . . 1423 . A 17 PRO CB . 30656 1 108 . 1 1 18 18 GLU H H 1 8.388 0.005 . 1 . . 802 . A 18 GLU H . 30656 1 109 . 1 1 18 18 GLU C C 13 178.631 . . 1 . . 1795 . A 18 GLU C . 30656 1 110 . 1 1 18 18 GLU CA C 13 59.898 . . 1 . . 1421 . A 18 GLU CA . 30656 1 111 . 1 1 18 18 GLU CB C 13 29.335 0.006 . 1 . . 1422 . A 18 GLU CB . 30656 1 112 . 1 1 18 18 GLU N N 15 117.139 0.019 . 1 . . 803 . A 18 GLU N . 30656 1 113 . 1 1 19 19 ASP H H 1 8.095 0.006 . 1 . . 925 . A 19 ASP H . 30656 1 114 . 1 1 19 19 ASP C C 13 179.862 . . 1 . . 1796 . A 19 ASP C . 30656 1 115 . 1 1 19 19 ASP CA C 13 57.579 0.016 . 1 . . 1331 . A 19 ASP CA . 30656 1 116 . 1 1 19 19 ASP CB C 13 41.187 0.017 . 1 . . 1332 . A 19 ASP CB . 30656 1 117 . 1 1 19 19 ASP N N 15 121.616 0.027 . 1 . . 926 . A 19 ASP N . 30656 1 118 . 1 1 20 20 ILE H H 1 7.926 0.005 . 1 . . 903 . A 20 ILE H . 30656 1 119 . 1 1 20 20 ILE HD11 H 1 0.708 0.006 . 1 . . 1645 . A 20 ILE HD11 . 30656 1 120 . 1 1 20 20 ILE HD12 H 1 0.708 0.006 . 1 . . 1645 . A 20 ILE HD12 . 30656 1 121 . 1 1 20 20 ILE HD13 H 1 0.708 0.006 . 1 . . 1645 . A 20 ILE HD13 . 30656 1 122 . 1 1 20 20 ILE C C 13 176.987 . . 1 . . 1797 . A 20 ILE C . 30656 1 123 . 1 1 20 20 ILE CA C 13 65.086 0.047 . 1 . . 1329 . A 20 ILE CA . 30656 1 124 . 1 1 20 20 ILE CB C 13 37.880 0.019 . 1 . . 1330 . A 20 ILE CB . 30656 1 125 . 1 1 20 20 ILE CG1 C 13 29.598 . . 1 . . 1647 . A 20 ILE CG1 . 30656 1 126 . 1 1 20 20 ILE CD1 C 13 13.131 0.038 . 1 . . 1646 . A 20 ILE CD1 . 30656 1 127 . 1 1 20 20 ILE N N 15 121.596 0.027 . 1 . . 904 . A 20 ILE N . 30656 1 128 . 1 1 21 21 LYS H H 1 8.003 0.008 . 1 . . 1194 . A 21 LYS H . 30656 1 129 . 1 1 21 21 LYS C C 13 179.415 . . 1 . . 1798 . A 21 LYS C . 30656 1 130 . 1 1 21 21 LYS CA C 13 60.952 0.0 . 1 . . 1327 . A 21 LYS CA . 30656 1 131 . 1 1 21 21 LYS CB C 13 33.173 . . 1 . . 1328 . A 21 LYS CB . 30656 1 132 . 1 1 21 21 LYS N N 15 119.478 0.064 . 1 . . 1195 . A 21 LYS N . 30656 1 133 . 1 1 22 22 LYS H H 1 8.212 0.004 . 1 . . 1124 . A 22 LYS H . 30656 1 134 . 1 1 22 22 LYS C C 13 179.027 . . 1 . . 1799 . A 22 LYS C . 30656 1 135 . 1 1 22 22 LYS CA C 13 59.915 0.014 . 1 . . 1326 . A 22 LYS CA . 30656 1 136 . 1 1 22 22 LYS CB C 13 32.925 0.066 . 1 . . 1325 . A 22 LYS CB . 30656 1 137 . 1 1 22 22 LYS N N 15 117.437 0.029 . 1 . . 1125 . A 22 LYS N . 30656 1 138 . 1 1 23 23 ALA H H 1 7.840 0.005 . 1 . . 1222 . A 23 ALA H . 30656 1 139 . 1 1 23 23 ALA C C 13 177.317 . . 1 . . 1800 . A 23 ALA C . 30656 1 140 . 1 1 23 23 ALA CA C 13 55.037 0.023 . 1 . . 1307 . A 23 ALA CA . 30656 1 141 . 1 1 23 23 ALA CB C 13 19.592 0.002 . 1 . . 1309 . A 23 ALA CB . 30656 1 142 . 1 1 23 23 ALA N N 15 122.078 0.032 . 1 . . 1223 . A 23 ALA N . 30656 1 143 . 1 1 24 24 TYR H H 1 8.221 0.005 . 1 . . 1216 . A 24 TYR H . 30656 1 144 . 1 1 24 24 TYR C C 13 175.258 . . 1 . . 1801 . A 24 TYR C . 30656 1 145 . 1 1 24 24 TYR CA C 13 62.313 0.008 . 1 . . 1306 . A 24 TYR CA . 30656 1 146 . 1 1 24 24 TYR CB C 13 38.795 0.02 . 1 . . 1308 . A 24 TYR CB . 30656 1 147 . 1 1 24 24 TYR N N 15 117.456 0.036 . 1 . . 1217 . A 24 TYR N . 30656 1 148 . 1 1 25 25 ARG H H 1 8.003 0.007 . 1 . . 857 . A 25 ARG H . 30656 1 149 . 1 1 25 25 ARG C C 13 176.952 . . 1 . . 1802 . A 25 ARG C . 30656 1 150 . 1 1 25 25 ARG CA C 13 59.769 0.01 . 1 . . 1311 . A 25 ARG CA . 30656 1 151 . 1 1 25 25 ARG CB C 13 30.295 0.014 . 1 . . 1310 . A 25 ARG CB . 30656 1 152 . 1 1 25 25 ARG N N 15 117.160 0.027 . 1 . . 858 . A 25 ARG N . 30656 1 153 . 1 1 26 26 LYS H H 1 7.259 0.005 . 1 . . 1112 . A 26 LYS H . 30656 1 154 . 1 1 26 26 LYS C C 13 179.873 . . 1 . . 1803 . A 26 LYS C . 30656 1 155 . 1 1 26 26 LYS CA C 13 59.101 0.044 . 1 . . 1313 . A 26 LYS CA . 30656 1 156 . 1 1 26 26 LYS CB C 13 32.892 0.025 . 1 . . 1312 . A 26 LYS CB . 30656 1 157 . 1 1 26 26 LYS N N 15 112.944 0.037 . 1 . . 1113 . A 26 LYS N . 30656 1 158 . 1 1 27 27 LEU H H 1 8.107 0.002 . 1 . . 1214 . A 27 LEU H . 30656 1 159 . 1 1 27 27 LEU HD11 H 1 1.054 0.001 . 2 . . 1639 . A 27 LEU HD11 . 30656 1 160 . 1 1 27 27 LEU HD12 H 1 1.054 0.001 . 2 . . 1639 . A 27 LEU HD12 . 30656 1 161 . 1 1 27 27 LEU HD13 H 1 1.054 0.001 . 2 . . 1639 . A 27 LEU HD13 . 30656 1 162 . 1 1 27 27 LEU HD21 H 1 1.098 0.003 . 2 . . 1662 . A 27 LEU HD21 . 30656 1 163 . 1 1 27 27 LEU HD22 H 1 1.098 0.003 . 2 . . 1662 . A 27 LEU HD22 . 30656 1 164 . 1 1 27 27 LEU HD23 H 1 1.098 0.003 . 2 . . 1662 . A 27 LEU HD23 . 30656 1 165 . 1 1 27 27 LEU C C 13 178.395 . . 1 . . 1804 . A 27 LEU C . 30656 1 166 . 1 1 27 27 LEU CA C 13 57.553 0.054 . 1 . . 1315 . A 27 LEU CA . 30656 1 167 . 1 1 27 27 LEU CB C 13 43.390 0.079 . 1 . . 1314 . A 27 LEU CB . 30656 1 168 . 1 1 27 27 LEU CG C 13 27.359 . . 1 . . 1641 . A 27 LEU CG . 30656 1 169 . 1 1 27 27 LEU CD1 C 13 22.897 0.027 . 2 . . 1640 . A 27 LEU CD1 . 30656 1 170 . 1 1 27 27 LEU CD2 C 13 26.924 0.064 . 2 . . 1663 . A 27 LEU CD2 . 30656 1 171 . 1 1 27 27 LEU N N 15 119.730 0.024 . 1 . . 1215 . A 27 LEU N . 30656 1 172 . 1 1 28 28 ALA H H 1 9.423 0.003 . 1 . . 1005 . A 28 ALA H . 30656 1 173 . 1 1 28 28 ALA C C 13 179.298 . . 1 . . 1805 . A 28 ALA C . 30656 1 174 . 1 1 28 28 ALA CA C 13 55.381 0.003 . 1 . . 1317 . A 28 ALA CA . 30656 1 175 . 1 1 28 28 ALA CB C 13 17.495 0.022 . 1 . . 1316 . A 28 ALA CB . 30656 1 176 . 1 1 28 28 ALA N N 15 123.265 . . 1 . . 1242 . A 28 ALA N . 30656 1 177 . 1 1 29 29 LEU H H 1 7.138 0.002 . 1 . . 1008 . A 29 LEU H . 30656 1 178 . 1 1 29 29 LEU HD11 H 1 0.430 0.002 . 2 . . 1659 . A 29 LEU HD11 . 30656 1 179 . 1 1 29 29 LEU HD12 H 1 0.430 0.002 . 2 . . 1659 . A 29 LEU HD12 . 30656 1 180 . 1 1 29 29 LEU HD13 H 1 0.430 0.002 . 2 . . 1659 . A 29 LEU HD13 . 30656 1 181 . 1 1 29 29 LEU HD21 H 1 0.795 0.004 . 2 . . 1674 . A 29 LEU HD21 . 30656 1 182 . 1 1 29 29 LEU HD22 H 1 0.795 0.004 . 2 . . 1674 . A 29 LEU HD22 . 30656 1 183 . 1 1 29 29 LEU HD23 H 1 0.795 0.004 . 2 . . 1674 . A 29 LEU HD23 . 30656 1 184 . 1 1 29 29 LEU C C 13 179.283 . . 1 . . 1806 . A 29 LEU C . 30656 1 185 . 1 1 29 29 LEU CA C 13 57.250 0.074 . 1 . . 1318 . A 29 LEU CA . 30656 1 186 . 1 1 29 29 LEU CB C 13 41.512 0.062 . 1 . . 1319 . A 29 LEU CB . 30656 1 187 . 1 1 29 29 LEU CG C 13 26.416 . . 1 . . 1661 . A 29 LEU CG . 30656 1 188 . 1 1 29 29 LEU CD1 C 13 22.714 0.016 . 2 . . 1660 . A 29 LEU CD1 . 30656 1 189 . 1 1 29 29 LEU CD2 C 13 25.408 0.014 . 2 . . 1675 . A 29 LEU CD2 . 30656 1 190 . 1 1 29 29 LEU N N 15 111.999 0.027 . 1 . . 1009 . A 29 LEU N . 30656 1 191 . 1 1 30 30 LYS H H 1 7.488 0.005 . 1 . . 1688 . A 30 LYS H . 30656 1 192 . 1 1 30 30 LYS C C 13 178.722 . . 1 . . 1807 . A 30 LYS C . 30656 1 193 . 1 1 30 30 LYS CA C 13 58.911 0.017 . 1 . . 1320 . A 30 LYS CA . 30656 1 194 . 1 1 30 30 LYS CB C 13 33.191 0.003 . 1 . . 1322 . A 30 LYS CB . 30656 1 195 . 1 1 30 30 LYS N N 15 118.248 0.031 . 1 . . 1321 . A 30 LYS N . 30656 1 196 . 1 1 31 31 TRP H H 1 8.162 0.005 . 1 . . 907 . A 31 TRP H . 30656 1 197 . 1 1 31 31 TRP HE1 H 1 10.403 0.004 . 1 . . 1047 . A 31 TRP HE1 . 30656 1 198 . 1 1 31 31 TRP C C 13 173.038 . . 1 . . 1808 . A 31 TRP C . 30656 1 199 . 1 1 31 31 TRP CA C 13 56.515 . . 1 . . 1323 . A 31 TRP CA . 30656 1 200 . 1 1 31 31 TRP CB C 13 29.680 0.02 . 1 . . 1324 . A 31 TRP CB . 30656 1 201 . 1 1 31 31 TRP N N 15 114.486 0.026 . 1 . . 908 . A 31 TRP N . 30656 1 202 . 1 1 31 31 TRP NE1 N 15 126.788 . . 1 . . 1048 . A 31 TRP NE1 . 30656 1 203 . 1 1 32 32 HIS H H 1 7.052 0.006 . 1 . . 1018 . A 32 HIS H . 30656 1 204 . 1 1 32 32 HIS CA C 13 56.676 . . 1 . . 1497 . A 32 HIS CA . 30656 1 205 . 1 1 32 32 HIS CB C 13 30.857 . . 1 . . 1498 . A 32 HIS CB . 30656 1 206 . 1 1 32 32 HIS N N 15 120.672 0.035 . 1 . . 1019 . A 32 HIS N . 30656 1 207 . 1 1 33 33 PRO C C 13 174.148 . . 1 . . 1809 . A 33 PRO C . 30656 1 208 . 1 1 33 33 PRO CA C 13 63.612 . . 1 . . 1610 . A 33 PRO CA . 30656 1 209 . 1 1 33 33 PRO CB C 13 32.023 . . 1 . . 1611 . A 33 PRO CB . 30656 1 210 . 1 1 34 34 ASP H H 1 8.321 0.007 . 1 . . 768 . A 34 ASP H . 30656 1 211 . 1 1 34 34 ASP CA C 13 58.102 . . 1 . . 1609 . A 34 ASP CA . 30656 1 212 . 1 1 34 34 ASP CB C 13 39.288 . . 1 . . 1613 . A 34 ASP CB . 30656 1 213 . 1 1 34 34 ASP N N 15 118.506 0.042 . 1 . . 769 . A 34 ASP N . 30656 1 214 . 1 1 35 35 LYS H H 1 7.923 0.002 . 1 . . 1589 . A 35 LYS H . 30656 1 215 . 1 1 35 35 LYS C C 13 175.897 . . 1 . . 1810 . A 35 LYS C . 30656 1 216 . 1 1 35 35 LYS CA C 13 56.809 . . 1 . . 1614 . A 35 LYS CA . 30656 1 217 . 1 1 35 35 LYS CB C 13 30.606 0.029 . 1 . . 1509 . A 35 LYS CB . 30656 1 218 . 1 1 35 35 LYS N N 15 120.974 0.036 . 1 . . 1590 . A 35 LYS N . 30656 1 219 . 1 1 36 36 ASN H H 1 8.263 0.005 . 1 . . 921 . A 36 ASN H . 30656 1 220 . 1 1 36 36 ASN CA C 13 54.216 . . 1 . . 1616 . A 36 ASN CA . 30656 1 221 . 1 1 36 36 ASN CB C 13 41.621 . . 1 . . 1615 . A 36 ASN CB . 30656 1 222 . 1 1 36 36 ASN N N 15 120.833 0.07 . 1 . . 922 . A 36 ASN N . 30656 1 223 . 1 1 37 37 PRO C C 13 178.505 . . 1 . . 1811 . A 37 PRO C . 30656 1 224 . 1 1 37 37 PRO CA C 13 65.373 . . 1 . . 1336 . A 37 PRO CA . 30656 1 225 . 1 1 37 37 PRO CB C 13 31.617 . . 1 . . 1335 . A 37 PRO CB . 30656 1 226 . 1 1 38 38 GLU H H 1 8.789 0.001 . 1 . . 1076 . A 38 GLU H . 30656 1 227 . 1 1 38 38 GLU C C 13 176.082 . . 1 . . 1812 . A 38 GLU C . 30656 1 228 . 1 1 38 38 GLU CA C 13 56.787 0.008 . 1 . . 1333 . A 38 GLU CA . 30656 1 229 . 1 1 38 38 GLU CB C 13 29.473 0.004 . 1 . . 1334 . A 38 GLU CB . 30656 1 230 . 1 1 38 38 GLU N N 15 117.008 0.038 . 1 . . 1077 . A 38 GLU N . 30656 1 231 . 1 1 39 39 ASN H H 1 7.892 0.007 . 1 . . 1146 . A 39 ASN H . 30656 1 232 . 1 1 39 39 ASN C C 13 175.214 . . 1 . . 1813 . A 39 ASN C . 30656 1 233 . 1 1 39 39 ASN CA C 13 52.144 0.023 . 1 . . 1337 . A 39 ASN CA . 30656 1 234 . 1 1 39 39 ASN CB C 13 39.025 0.001 . 1 . . 1338 . A 39 ASN CB . 30656 1 235 . 1 1 39 39 ASN N N 15 120.361 0.025 . 1 . . 1147 . A 39 ASN N . 30656 1 236 . 1 1 40 40 LYS H H 1 8.063 0.001 . 1 . . 947 . A 40 LYS H . 30656 1 237 . 1 1 40 40 LYS C C 13 178.245 . . 1 . . 1815 . A 40 LYS C . 30656 1 238 . 1 1 40 40 LYS CA C 13 60.856 0.035 . 1 . . 1339 . A 40 LYS CA . 30656 1 239 . 1 1 40 40 LYS CB C 13 33.265 0.011 . 1 . . 1340 . A 40 LYS CB . 30656 1 240 . 1 1 40 40 LYS N N 15 121.777 0.027 . 1 . . 948 . A 40 LYS N . 30656 1 241 . 1 1 41 41 GLU H H 1 8.564 0.005 . 1 . . 1043 . A 41 GLU H . 30656 1 242 . 1 1 41 41 GLU C C 13 179.559 . . 1 . . 1817 . A 41 GLU C . 30656 1 243 . 1 1 41 41 GLU CA C 13 60.174 0.005 . 1 . . 1342 . A 41 GLU CA . 30656 1 244 . 1 1 41 41 GLU CB C 13 29.039 0.006 . 1 . . 1341 . A 41 GLU CB . 30656 1 245 . 1 1 41 41 GLU N N 15 118.541 0.037 . 1 . . 1044 . A 41 GLU N . 30656 1 246 . 1 1 42 42 GLU H H 1 8.220 0.008 . 1 . . 1190 . A 42 GLU H . 30656 1 247 . 1 1 42 42 GLU C C 13 175.124 . . 1 . . 1818 . A 42 GLU C . 30656 1 248 . 1 1 42 42 GLU CA C 13 58.779 . . 1 . . 1618 . A 42 GLU CA . 30656 1 249 . 1 1 42 42 GLU CB C 13 29.467 0.035 . 1 . . 1617 . A 42 GLU CB . 30656 1 250 . 1 1 42 42 GLU N N 15 120.291 0.023 . 1 . . 1191 . A 42 GLU N . 30656 1 251 . 1 1 43 43 ALA H H 1 8.149 0.005 . 1 . . 1086 . A 43 ALA H . 30656 1 252 . 1 1 43 43 ALA C C 13 178.504 . . 1 . . 1820 . A 43 ALA C . 30656 1 253 . 1 1 43 43 ALA CA C 13 55.743 0.006 . 1 . . 1394 . A 43 ALA CA . 30656 1 254 . 1 1 43 43 ALA CB C 13 18.104 0.008 . 1 . . 1395 . A 43 ALA CB . 30656 1 255 . 1 1 43 43 ALA N N 15 120.319 0.044 . 1 . . 1087 . A 43 ALA N . 30656 1 256 . 1 1 44 44 GLU H H 1 8.789 0.003 . 1 . . 889 . A 44 GLU H . 30656 1 257 . 1 1 44 44 GLU C C 13 179.649 . . 1 . . 1821 . A 44 GLU C . 30656 1 258 . 1 1 44 44 GLU CA C 13 60.293 0.025 . 1 . . 1393 . A 44 GLU CA . 30656 1 259 . 1 1 44 44 GLU CB C 13 29.636 0.012 . 1 . . 1392 . A 44 GLU CB . 30656 1 260 . 1 1 44 44 GLU N N 15 116.464 0.024 . 1 . . 890 . A 44 GLU N . 30656 1 261 . 1 1 45 45 ARG H H 1 7.485 0.01 . 1 . . 869 . A 45 ARG H . 30656 1 262 . 1 1 45 45 ARG C C 13 175.056 . . 1 . . 1822 . A 45 ARG C . 30656 1 263 . 1 1 45 45 ARG CA C 13 59.584 0.002 . 1 . . 1388 . A 45 ARG CA . 30656 1 264 . 1 1 45 45 ARG CB C 13 30.354 0.001 . 1 . . 1389 . A 45 ARG CB . 30656 1 265 . 1 1 45 45 ARG N N 15 118.959 0.03 . 1 . . 870 . A 45 ARG N . 30656 1 266 . 1 1 46 46 LYS H H 1 8.236 0.003 . 1 . . 1098 . A 46 LYS H . 30656 1 267 . 1 1 46 46 LYS C C 13 178.342 . . 1 . . 1823 . A 46 LYS C . 30656 1 268 . 1 1 46 46 LYS CA C 13 58.353 0.006 . 1 . . 1384 . A 46 LYS CA . 30656 1 269 . 1 1 46 46 LYS CB C 13 31.268 0.005 . 1 . . 1385 . A 46 LYS CB . 30656 1 270 . 1 1 46 46 LYS N N 15 120.777 0.039 . 1 . . 1099 . A 46 LYS N . 30656 1 271 . 1 1 47 47 PHE H H 1 9.536 0.002 . 1 . . 1172 . A 47 PHE H . 30656 1 272 . 1 1 47 47 PHE CA C 13 62.108 0.005 . 1 . . 1382 . A 47 PHE CA . 30656 1 273 . 1 1 47 47 PHE CB C 13 39.992 0.01 . 1 . . 1383 . A 47 PHE CB . 30656 1 274 . 1 1 47 47 PHE N N 15 120.742 0.026 . 1 . . 1173 . A 47 PHE N . 30656 1 275 . 1 1 48 48 LYS H H 1 7.822 0.009 . 1 . . 1186 . A 48 LYS H . 30656 1 276 . 1 1 48 48 LYS C C 13 178.169 . . 1 . . 1824 . A 48 LYS C . 30656 1 277 . 1 1 48 48 LYS CA C 13 59.518 . . 1 . . 1381 . A 48 LYS CA . 30656 1 278 . 1 1 48 48 LYS CB C 13 32.800 . . 1 . . 1380 . A 48 LYS CB . 30656 1 279 . 1 1 48 48 LYS N N 15 118.884 0.028 . 1 . . 1187 . A 48 LYS N . 30656 1 280 . 1 1 49 49 GLN H H 1 7.859 0.005 . 1 . . 1689 . A 49 GLN H . 30656 1 281 . 1 1 49 49 GLN C C 13 178.638 . . 1 . . 1814 . A 49 GLN C . 30656 1 282 . 1 1 49 49 GLN CA C 13 59.323 . . 1 . . 1379 . A 49 GLN CA . 30656 1 283 . 1 1 49 49 GLN CB C 13 29.267 0.005 . 1 . . 1378 . A 49 GLN CB . 30656 1 284 . 1 1 49 49 GLN N N 15 119.180 0.018 . 1 . . 812 . A 49 GLN N . 30656 1 285 . 1 1 50 50 VAL H H 1 8.575 0.006 . 1 . . 1690 . A 50 VAL H . 30656 1 286 . 1 1 50 50 VAL HG11 H 1 0.999 0.004 . 2 . . 1628 . A 50 VAL HG11 . 30656 1 287 . 1 1 50 50 VAL HG12 H 1 0.999 0.004 . 2 . . 1628 . A 50 VAL HG12 . 30656 1 288 . 1 1 50 50 VAL HG13 H 1 0.999 0.004 . 2 . . 1628 . A 50 VAL HG13 . 30656 1 289 . 1 1 50 50 VAL HG21 H 1 0.911 0.004 . 2 . . 1634 . A 50 VAL HG21 . 30656 1 290 . 1 1 50 50 VAL HG22 H 1 0.911 0.004 . 2 . . 1634 . A 50 VAL HG22 . 30656 1 291 . 1 1 50 50 VAL HG23 H 1 0.911 0.004 . 2 . . 1634 . A 50 VAL HG23 . 30656 1 292 . 1 1 50 50 VAL C C 13 177.054 . . 1 . . 1825 . A 50 VAL C . 30656 1 293 . 1 1 50 50 VAL CA C 13 65.936 0.073 . 1 . . 1375 . A 50 VAL CA . 30656 1 294 . 1 1 50 50 VAL CB C 13 32.167 0.12 . 1 . . 1376 . A 50 VAL CB . 30656 1 295 . 1 1 50 50 VAL CG1 C 13 23.005 0.048 . 2 . . 1629 . A 50 VAL CG1 . 30656 1 296 . 1 1 50 50 VAL CG2 C 13 21.968 0.034 . 2 . . 1635 . A 50 VAL CG2 . 30656 1 297 . 1 1 50 50 VAL N N 15 118.178 0.044 . 1 . . 726 . A 50 VAL N . 30656 1 298 . 1 1 51 51 ALA H H 1 7.344 0.005 . 1 . . 835 . A 51 ALA H . 30656 1 299 . 1 1 51 51 ALA C C 13 178.913 . . 1 . . 1826 . A 51 ALA C . 30656 1 300 . 1 1 51 51 ALA CA C 13 55.684 0.001 . 1 . . 1374 . A 51 ALA CA . 30656 1 301 . 1 1 51 51 ALA CB C 13 18.129 0.011 . 1 . . 1373 . A 51 ALA CB . 30656 1 302 . 1 1 51 51 ALA N N 15 121.723 0.021 . 1 . . 836 . A 51 ALA N . 30656 1 303 . 1 1 52 52 GLU H H 1 7.713 0.002 . 1 . . 935 . A 52 GLU H . 30656 1 304 . 1 1 52 52 GLU C C 13 177.588 . . 1 . . 1827 . A 52 GLU C . 30656 1 305 . 1 1 52 52 GLU CA C 13 59.180 0.015 . 1 . . 1371 . A 52 GLU CA . 30656 1 306 . 1 1 52 52 GLU CB C 13 29.736 . . 1 . . 1372 . A 52 GLU CB . 30656 1 307 . 1 1 52 52 GLU N N 15 118.283 0.021 . 1 . . 936 . A 52 GLU N . 30656 1 308 . 1 1 53 53 ALA H H 1 7.672 0.01 . 1 . . 943 . A 53 ALA H . 30656 1 309 . 1 1 53 53 ALA C C 13 178.852 . . 1 . . 1829 . A 53 ALA C . 30656 1 310 . 1 1 53 53 ALA CA C 13 54.060 0.013 . 1 . . 1369 . A 53 ALA CA . 30656 1 311 . 1 1 53 53 ALA CB C 13 19.299 0.011 . 1 . . 1370 . A 53 ALA CB . 30656 1 312 . 1 1 53 53 ALA N N 15 116.935 0.073 . 1 . . 944 . A 53 ALA N . 30656 1 313 . 1 1 54 54 TYR H H 1 8.166 0.01 . 1 . . 1693 . A 54 TYR H . 30656 1 314 . 1 1 54 54 TYR C C 13 178.184 . . 1 . . 1830 . A 54 TYR C . 30656 1 315 . 1 1 54 54 TYR CA C 13 61.704 . . 1 . . 1368 . A 54 TYR CA . 30656 1 316 . 1 1 54 54 TYR CB C 13 39.909 0.002 . 1 . . 1367 . A 54 TYR CB . 30656 1 317 . 1 1 54 54 TYR N N 15 116.194 0.033 . 1 . . 965 . A 54 TYR N . 30656 1 318 . 1 1 55 55 GLU H H 1 8.737 0.006 . 1 . . 887 . A 55 GLU H . 30656 1 319 . 1 1 55 55 GLU C C 13 177.803 . . 1 . . 1831 . A 55 GLU C . 30656 1 320 . 1 1 55 55 GLU CA C 13 61.831 0.016 . 1 . . 1365 . A 55 GLU CA . 30656 1 321 . 1 1 55 55 GLU CB C 13 30.668 0.032 . 1 . . 1366 . A 55 GLU CB . 30656 1 322 . 1 1 55 55 GLU N N 15 121.568 0.02 . 1 . . 888 . A 55 GLU N . 30656 1 323 . 1 1 56 56 VAL H H 1 7.150 0.005 . 1 . . 1277 . A 56 VAL H . 30656 1 324 . 1 1 56 56 VAL HG11 H 1 0.583 0.004 . 2 . . 1636 . A 56 VAL HG11 . 30656 1 325 . 1 1 56 56 VAL HG12 H 1 0.583 0.004 . 2 . . 1636 . A 56 VAL HG12 . 30656 1 326 . 1 1 56 56 VAL HG13 H 1 0.583 0.004 . 2 . . 1636 . A 56 VAL HG13 . 30656 1 327 . 1 1 56 56 VAL HG21 H 1 0.299 0.002 . 2 . . 1638 . A 56 VAL HG21 . 30656 1 328 . 1 1 56 56 VAL HG22 H 1 0.299 0.002 . 2 . . 1638 . A 56 VAL HG22 . 30656 1 329 . 1 1 56 56 VAL HG23 H 1 0.299 0.002 . 2 . . 1638 . A 56 VAL HG23 . 30656 1 330 . 1 1 56 56 VAL C C 13 175.534 . . 1 . . 1832 . A 56 VAL C . 30656 1 331 . 1 1 56 56 VAL CA C 13 65.769 0.052 . 1 . . 1363 . A 56 VAL CA . 30656 1 332 . 1 1 56 56 VAL CB C 13 31.695 0.096 . 1 . . 1364 . A 56 VAL CB . 30656 1 333 . 1 1 56 56 VAL CG1 C 13 20.757 0.037 . 2 . . 1776 . A 56 VAL CG1 . 30656 1 334 . 1 1 56 56 VAL CG2 C 13 22.852 0.033 . 2 . . 1637 . A 56 VAL CG2 . 30656 1 335 . 1 1 56 56 VAL N N 15 114.616 0.025 . 1 . . 1040 . A 56 VAL N . 30656 1 336 . 1 1 57 57 LEU H H 1 7.777 0.006 . 1 . . 931 . A 57 LEU H . 30656 1 337 . 1 1 57 57 LEU HD11 H 1 0.261 0.005 . 2 . . 1655 . A 57 LEU HD11 . 30656 1 338 . 1 1 57 57 LEU HD12 H 1 0.261 0.005 . 2 . . 1655 . A 57 LEU HD12 . 30656 1 339 . 1 1 57 57 LEU HD13 H 1 0.261 0.005 . 2 . . 1655 . A 57 LEU HD13 . 30656 1 340 . 1 1 57 57 LEU HD21 H 1 0.057 0.004 . 2 . . 1664 . A 57 LEU HD21 . 30656 1 341 . 1 1 57 57 LEU HD22 H 1 0.057 0.004 . 2 . . 1664 . A 57 LEU HD22 . 30656 1 342 . 1 1 57 57 LEU HD23 H 1 0.057 0.004 . 2 . . 1664 . A 57 LEU HD23 . 30656 1 343 . 1 1 57 57 LEU C C 13 177.604 . . 1 . . 1833 . A 57 LEU C . 30656 1 344 . 1 1 57 57 LEU CA C 13 56.459 0.009 . 1 . . 1361 . A 57 LEU CA . 30656 1 345 . 1 1 57 57 LEU CB C 13 41.409 0.058 . 1 . . 1362 . A 57 LEU CB . 30656 1 346 . 1 1 57 57 LEU CG C 13 25.381 . . 1 . . 1658 . A 57 LEU CG . 30656 1 347 . 1 1 57 57 LEU CD1 C 13 22.176 0.029 . 2 . . 1656 . A 57 LEU CD1 . 30656 1 348 . 1 1 57 57 LEU CD2 C 13 24.732 0.058 . 2 . . 1665 . A 57 LEU CD2 . 30656 1 349 . 1 1 57 57 LEU N N 15 110.350 0.024 . 1 . . 932 . A 57 LEU N . 30656 1 350 . 1 1 58 58 SER H H 1 7.877 0.001 . 1 . . 959 . A 58 SER H . 30656 1 351 . 1 1 58 58 SER C C 13 173.470 . . 1 . . 1834 . A 58 SER C . 30656 1 352 . 1 1 58 58 SER CA C 13 59.146 0.007 . 1 . . 1359 . A 58 SER CA . 30656 1 353 . 1 1 58 58 SER CB C 13 64.115 0.002 . 1 . . 1360 . A 58 SER CB . 30656 1 354 . 1 1 58 58 SER N N 15 109.586 0.023 . 1 . . 960 . A 58 SER N . 30656 1 355 . 1 1 59 59 ASP H H 1 6.806 0.003 . 1 . . 845 . A 59 ASP H . 30656 1 356 . 1 1 59 59 ASP C C 13 174.735 . . 1 . . 1835 . A 59 ASP C . 30656 1 357 . 1 1 59 59 ASP CA C 13 52.299 0.002 . 1 . . 1357 . A 59 ASP CA . 30656 1 358 . 1 1 59 59 ASP CB C 13 43.824 0.006 . 1 . . 1358 . A 59 ASP CB . 30656 1 359 . 1 1 59 59 ASP N N 15 124.429 0.027 . 1 . . 846 . A 59 ASP N . 30656 1 360 . 1 1 60 60 ALA H H 1 8.847 0.01 . 1 . . 734 . A 60 ALA H . 30656 1 361 . 1 1 60 60 ALA C C 13 179.910 . . 1 . . 1838 . A 60 ALA C . 30656 1 362 . 1 1 60 60 ALA CA C 13 55.760 0.025 . 1 . . 1355 . A 60 ALA CA . 30656 1 363 . 1 1 60 60 ALA CB C 13 18.840 0.004 . 1 . . 1356 . A 60 ALA CB . 30656 1 364 . 1 1 60 60 ALA N N 15 127.618 0.044 . 1 . . 735 . A 60 ALA N . 30656 1 365 . 1 1 61 61 LYS H H 1 7.954 0.008 . 1 . . 1090 . A 61 LYS H . 30656 1 366 . 1 1 61 61 LYS C C 13 179.761 . . 1 . . 1839 . A 61 LYS C . 30656 1 367 . 1 1 61 61 LYS CA C 13 59.061 0.003 . 1 . . 1353 . A 61 LYS CA . 30656 1 368 . 1 1 61 61 LYS CB C 13 32.117 0.037 . 1 . . 1354 . A 61 LYS CB . 30656 1 369 . 1 1 61 61 LYS N N 15 115.791 0.021 . 1 . . 1091 . A 61 LYS N . 30656 1 370 . 1 1 62 62 LYS H H 1 8.007 0.01 . 1 . . 979 . A 62 LYS H . 30656 1 371 . 1 1 62 62 LYS C C 13 178.118 . . 1 . . 1840 . A 62 LYS C . 30656 1 372 . 1 1 62 62 LYS CA C 13 60.232 . . 1 . . 1352 . A 62 LYS CA . 30656 1 373 . 1 1 62 62 LYS CB C 13 32.904 0.01 . 1 . . 1350 . A 62 LYS CB . 30656 1 374 . 1 1 62 62 LYS N N 15 120.268 0.052 . 1 . . 980 . A 62 LYS N . 30656 1 375 . 1 1 63 63 ARG H H 1 9.199 0.006 . 1 . . 806 . A 63 ARG H . 30656 1 376 . 1 1 63 63 ARG C C 13 177.036 . . 1 . . 1828 . A 63 ARG C . 30656 1 377 . 1 1 63 63 ARG CA C 13 60.347 0.008 . 1 . . 1351 . A 63 ARG CA . 30656 1 378 . 1 1 63 63 ARG CB C 13 29.913 0.058 . 1 . . 1349 . A 63 ARG CB . 30656 1 379 . 1 1 63 63 ARG N N 15 121.408 0.021 . 1 . . 807 . A 63 ARG N . 30656 1 380 . 1 1 64 64 ASP H H 1 7.675 0.006 . 1 . . 1695 . A 64 ASP H . 30656 1 381 . 1 1 64 64 ASP C C 13 178.644 . . 1 . . 1842 . A 64 ASP C . 30656 1 382 . 1 1 64 64 ASP CA C 13 57.754 0.015 . 1 . . 1348 . A 64 ASP CA . 30656 1 383 . 1 1 64 64 ASP CB C 13 41.950 0.002 . 1 . . 1347 . A 64 ASP CB . 30656 1 384 . 1 1 64 64 ASP N N 15 116.861 0.06 . 1 . . 1228 . A 64 ASP N . 30656 1 385 . 1 1 65 65 ILE H H 1 7.471 0.007 . 1 . . 1198 . A 65 ILE H . 30656 1 386 . 1 1 65 65 ILE HD11 H 1 0.962 0.003 . 1 . . 1648 . A 65 ILE HD11 . 30656 1 387 . 1 1 65 65 ILE HD12 H 1 0.962 0.003 . 1 . . 1648 . A 65 ILE HD12 . 30656 1 388 . 1 1 65 65 ILE HD13 H 1 0.962 0.003 . 1 . . 1648 . A 65 ILE HD13 . 30656 1 389 . 1 1 65 65 ILE C C 13 178.124 . . 1 . . 1843 . A 65 ILE C . 30656 1 390 . 1 1 65 65 ILE CA C 13 64.617 0.059 . 1 . . 1344 . A 65 ILE CA . 30656 1 391 . 1 1 65 65 ILE CB C 13 38.325 0.085 . 1 . . 1345 . A 65 ILE CB . 30656 1 392 . 1 1 65 65 ILE CG1 C 13 28.470 . . 1 . . 1651 . A 65 ILE CG1 . 30656 1 393 . 1 1 65 65 ILE CD1 C 13 12.946 0.04 . 1 . . 1649 . A 65 ILE CD1 . 30656 1 394 . 1 1 65 65 ILE N N 15 118.730 0.032 . 1 . . 1199 . A 65 ILE N . 30656 1 395 . 1 1 66 66 TYR H H 1 8.905 0.006 . 1 . . 770 . A 66 TYR H . 30656 1 396 . 1 1 66 66 TYR C C 13 178.513 . . 1 . . 1844 . A 66 TYR C . 30656 1 397 . 1 1 66 66 TYR CA C 13 61.958 0.007 . 1 . . 1343 . A 66 TYR CA . 30656 1 398 . 1 1 66 66 TYR CB C 13 39.503 0.007 . 1 . . 1346 . A 66 TYR CB . 30656 1 399 . 1 1 66 66 TYR N N 15 121.846 0.034 . 1 . . 771 . A 66 TYR N . 30656 1 400 . 1 1 67 67 ASP H H 1 9.425 0.007 . 1 . . 1257 . A 67 ASP H . 30656 1 401 . 1 1 67 67 ASP CA C 13 56.886 . . 1 . . 1414 . A 67 ASP CA . 30656 1 402 . 1 1 67 67 ASP CB C 13 40.594 0.007 . 1 . . 1415 . A 67 ASP CB . 30656 1 403 . 1 1 67 67 ASP N N 15 120.229 0.024 . 1 . . 1258 . A 67 ASP N . 30656 1 404 . 1 1 68 68 LYS H H 1 7.747 0.014 . 1 . . 760 . A 68 LYS H . 30656 1 405 . 1 1 68 68 LYS C C 13 178.111 . . 1 . . 1845 . A 68 LYS C . 30656 1 406 . 1 1 68 68 LYS CA C 13 58.663 0.014 . 1 . . 1416 . A 68 LYS CA . 30656 1 407 . 1 1 68 68 LYS CB C 13 33.127 0.016 . 1 . . 1417 . A 68 LYS CB . 30656 1 408 . 1 1 68 68 LYS N N 15 118.976 0.027 . 1 . . 761 . A 68 LYS N . 30656 1 409 . 1 1 69 69 TYR H H 1 8.114 0.035 . 1 . . 1138 . A 69 TYR H . 30656 1 410 . 1 1 69 69 TYR C C 13 177.194 . . 1 . . 1846 . A 69 TYR C . 30656 1 411 . 1 1 69 69 TYR CA C 13 59.190 0.016 . 1 . . 1418 . A 69 TYR CA . 30656 1 412 . 1 1 69 69 TYR CB C 13 39.302 0.053 . 1 . . 1419 . A 69 TYR CB . 30656 1 413 . 1 1 69 69 TYR N N 15 117.574 0.05 . 1 . . 1139 . A 69 TYR N . 30656 1 414 . 1 1 70 70 GLY H H 1 8.205 0.018 . 1 . . 999 . A 70 GLY H . 30656 1 415 . 1 1 70 70 GLY C C 13 174.281 . . 1 . . 1848 . A 70 GLY C . 30656 1 416 . 1 1 70 70 GLY CA C 13 45.865 0.001 . 1 . . 1420 . A 70 GLY CA . 30656 1 417 . 1 1 70 70 GLY N N 15 109.277 0.06 . 1 . . 1000 . A 70 GLY N . 30656 1 418 . 1 1 71 71 LYS H H 1 7.917 0.004 . 1 . . 1136 . A 71 LYS H . 30656 1 419 . 1 1 71 71 LYS C C 13 174.283 . . 1 . . 1849 . A 71 LYS C . 30656 1 420 . 1 1 71 71 LYS CA C 13 56.953 . . 1 . . 1573 . A 71 LYS CA . 30656 1 421 . 1 1 71 71 LYS CB C 13 32.970 . . 1 . . 1572 . A 71 LYS CB . 30656 1 422 . 1 1 71 71 LYS N N 15 119.919 0.064 . 1 . . 1137 . A 71 LYS N . 30656 1 423 . 1 1 72 72 GLU H H 1 8.415 0.003 . 1 . . 1110 . A 72 GLU H . 30656 1 424 . 1 1 72 72 GLU CA C 13 57.049 0.001 . 1 . . 1570 . A 72 GLU CA . 30656 1 425 . 1 1 72 72 GLU CB C 13 30.154 0.006 . 1 . . 1571 . A 72 GLU CB . 30656 1 426 . 1 1 72 72 GLU N N 15 119.954 0.038 . 1 . . 1111 . A 72 GLU N . 30656 1 427 . 1 1 73 73 GLY H H 1 8.220 0.002 . 1 . . 1106 . A 73 GLY H . 30656 1 428 . 1 1 73 73 GLY C C 13 173.810 . . 1 . . 1850 . A 73 GLY C . 30656 1 429 . 1 1 73 73 GLY CA C 13 45.420 0.029 . 1 . . 1569 . A 73 GLY CA . 30656 1 430 . 1 1 73 73 GLY N N 15 108.667 0.032 . 1 . . 1107 . A 73 GLY N . 30656 1 431 . 1 1 74 74 LEU H H 1 7.966 0.003 . 1 . . 951 . A 74 LEU H . 30656 1 432 . 1 1 74 74 LEU C C 13 176.160 . . 1 . . 1851 . A 74 LEU C . 30656 1 433 . 1 1 74 74 LEU CA C 13 55.087 . . 1 . . 1575 . A 74 LEU CA . 30656 1 434 . 1 1 74 74 LEU CB C 13 42.260 0.039 . 1 . . 1574 . A 74 LEU CB . 30656 1 435 . 1 1 74 74 LEU N N 15 121.056 0.067 . 1 . . 952 . A 74 LEU N . 30656 1 436 . 1 1 75 75 ASN H H 1 7.968 0.017 . 1 . . 792 . A 75 ASN H . 30656 1 437 . 1 1 75 75 ASN CA C 13 55.073 . . 1 . . 1576 . A 75 ASN CA . 30656 1 438 . 1 1 75 75 ASN CB C 13 41.587 . . 1 . . 1577 . A 75 ASN CB . 30656 1 439 . 1 1 75 75 ASN N N 15 124.246 0.029 . 1 . . 793 . A 75 ASN N . 30656 1 440 . 1 1 81 81 GLY C C 13 174.191 . . 1 . . 1852 . A 81 GLY C . 30656 1 441 . 1 1 81 81 GLY CA C 13 45.195 . . 1 . . 1564 . A 81 GLY CA . 30656 1 442 . 1 1 82 82 SER H H 1 8.201 0.008 . 1 . . 776 . A 82 SER H . 30656 1 443 . 1 1 82 82 SER CA C 13 58.350 . . 1 . . 1565 . A 82 SER CA . 30656 1 444 . 1 1 82 82 SER CB C 13 64.209 . . 1 . . 1566 . A 82 SER CB . 30656 1 445 . 1 1 82 82 SER N N 15 115.417 0.028 . 1 . . 777 . A 82 SER N . 30656 1 446 . 1 1 83 83 HIS CA C 13 55.714 . . 1 . . 1562 . A 83 HIS CA . 30656 1 447 . 1 1 83 83 HIS CB C 13 29.765 . . 1 . . 1563 . A 83 HIS CB . 30656 1 448 . 1 1 84 84 PHE H H 1 8.189 0.0 . 1 . . 1174 . A 84 PHE H . 30656 1 449 . 1 1 84 84 PHE C C 13 175.225 . . 1 . . 1853 . A 84 PHE C . 30656 1 450 . 1 1 84 84 PHE CA C 13 57.521 0.009 . 1 . . 1560 . A 84 PHE CA . 30656 1 451 . 1 1 84 84 PHE CB C 13 39.713 0.009 . 1 . . 1561 . A 84 PHE CB . 30656 1 452 . 1 1 84 84 PHE N N 15 120.944 0.032 . 1 . . 1175 . A 84 PHE N . 30656 1 453 . 1 1 85 85 ASP H H 1 8.415 0.006 . 1 . . 913 . A 85 ASP H . 30656 1 454 . 1 1 85 85 ASP C C 13 175.519 . . 1 . . 1837 . A 85 ASP C . 30656 1 455 . 1 1 85 85 ASP CA C 13 54.482 0.013 . 1 . . 1558 . A 85 ASP CA . 30656 1 456 . 1 1 85 85 ASP CB C 13 41.758 0.006 . 1 . . 1559 . A 85 ASP CB . 30656 1 457 . 1 1 85 85 ASP N N 15 121.153 0.037 . 1 . . 914 . A 85 ASP N . 30656 1 458 . 1 1 86 86 SER H H 1 8.001 0.016 . 1 . . 766 . A 86 SER H . 30656 1 459 . 1 1 86 86 SER CA C 13 56.036 . . 1 . . 1556 . A 86 SER CA . 30656 1 460 . 1 1 86 86 SER CB C 13 64.317 . . 1 . . 1557 . A 86 SER CB . 30656 1 461 . 1 1 86 86 SER N N 15 115.651 0.037 . 1 . . 767 . A 86 SER N . 30656 1 462 . 1 1 87 87 PRO C C 13 176.502 . . 1 . . 1854 . A 87 PRO C . 30656 1 463 . 1 1 87 87 PRO CA C 13 63.555 . . 1 . . 1441 . A 87 PRO CA . 30656 1 464 . 1 1 87 87 PRO CB C 13 31.973 . . 1 . . 1442 . A 87 PRO CB . 30656 1 465 . 1 1 88 88 PHE H H 1 7.980 0.003 . 1 . . 718 . A 88 PHE H . 30656 1 466 . 1 1 88 88 PHE C C 13 175.609 . . 1 . . 1855 . A 88 PHE C . 30656 1 467 . 1 1 88 88 PHE CA C 13 57.883 0.004 . 1 . . 1440 . A 88 PHE CA . 30656 1 468 . 1 1 88 88 PHE CB C 13 39.669 0.002 . 1 . . 1439 . A 88 PHE CB . 30656 1 469 . 1 1 88 88 PHE N N 15 119.304 0.057 . 1 . . 719 . A 88 PHE N . 30656 1 470 . 1 1 89 89 GLU H H 1 7.866 0.013 . 1 . . 1034 . A 89 GLU H . 30656 1 471 . 1 1 89 89 GLU C C 13 175.731 . . 1 . . 1856 . A 89 GLU C . 30656 1 472 . 1 1 89 89 GLU CA C 13 56.367 0.005 . 1 . . 1437 . A 89 GLU CA . 30656 1 473 . 1 1 89 89 GLU CB C 13 30.282 0.007 . 1 . . 1438 . A 89 GLU CB . 30656 1 474 . 1 1 89 89 GLU N N 15 121.937 0.064 . 1 . . 1035 . A 89 GLU N . 30656 1 475 . 1 1 90 90 PHE H H 1 7.970 0.038 . 1 . . 1176 . A 90 PHE H . 30656 1 476 . 1 1 90 90 PHE C C 13 176.152 . . 1 . . 1857 . A 90 PHE C . 30656 1 477 . 1 1 90 90 PHE CA C 13 58.275 0.007 . 1 . . 1435 . A 90 PHE CA . 30656 1 478 . 1 1 90 90 PHE CB C 13 39.404 0.019 . 1 . . 1436 . A 90 PHE CB . 30656 1 479 . 1 1 90 90 PHE N N 15 119.649 0.138 . 1 . . 1177 . A 90 PHE N . 30656 1 480 . 1 1 91 91 GLY H H 1 8.116 0.01 . 1 . . 1078 . A 91 GLY H . 30656 1 481 . 1 1 91 91 GLY C C 13 174.007 . . 1 . . 1858 . A 91 GLY C . 30656 1 482 . 1 1 91 91 GLY CA C 13 45.368 0.034 . 1 . . 1434 . A 91 GLY CA . 30656 1 483 . 1 1 91 91 GLY N N 15 108.155 0.18 . 1 . . 1079 . A 91 GLY N . 30656 1 484 . 1 1 92 92 PHE H H 1 7.553 0.003 . 1 . . 1188 . A 92 PHE H . 30656 1 485 . 1 1 92 92 PHE C C 13 175.005 . . 1 . . 1859 . A 92 PHE C . 30656 1 486 . 1 1 92 92 PHE CA C 13 56.202 0.0 . 1 . . 1432 . A 92 PHE CA . 30656 1 487 . 1 1 92 92 PHE CB C 13 39.822 0.012 . 1 . . 1433 . A 92 PHE CB . 30656 1 488 . 1 1 92 92 PHE N N 15 119.054 0.048 . 1 . . 1189 . A 92 PHE N . 30656 1 489 . 1 1 93 93 THR H H 1 7.947 0.003 . 1 . . 861 . A 93 THR H . 30656 1 490 . 1 1 93 93 THR C C 13 173.435 . . 1 . . 1860 . A 93 THR C . 30656 1 491 . 1 1 93 93 THR CA C 13 60.748 0.002 . 1 . . 1430 . A 93 THR CA . 30656 1 492 . 1 1 93 93 THR CB C 13 70.777 0.006 . 1 . . 1431 . A 93 THR CB . 30656 1 493 . 1 1 93 93 THR N N 15 116.240 0.094 . 1 . . 862 . A 93 THR N . 30656 1 494 . 1 1 94 94 PHE H H 1 8.504 0.016 . 1 . . 949 . A 94 PHE H . 30656 1 495 . 1 1 94 94 PHE C C 13 176.775 . . 1 . . 1861 . A 94 PHE C . 30656 1 496 . 1 1 94 94 PHE CA C 13 58.314 0.022 . 1 . . 1429 . A 94 PHE CA . 30656 1 497 . 1 1 94 94 PHE CB C 13 41.160 0.014 . 1 . . 1428 . A 94 PHE CB . 30656 1 498 . 1 1 94 94 PHE N N 15 123.604 0.032 . 1 . . 950 . A 94 PHE N . 30656 1 499 . 1 1 95 95 ARG H H 1 10.153 0.009 . 1 . . 815 . A 95 ARG H . 30656 1 500 . 1 1 95 95 ARG C C 13 176.648 . . 1 . . 1862 . A 95 ARG C . 30656 1 501 . 1 1 95 95 ARG CA C 13 55.621 0.011 . 1 . . 1446 . A 95 ARG CA . 30656 1 502 . 1 1 95 95 ARG CB C 13 32.885 0.006 . 1 . . 1444 . A 95 ARG CB . 30656 1 503 . 1 1 95 95 ARG N N 15 124.365 0.043 . 1 . . 816 . A 95 ARG N . 30656 1 504 . 1 1 96 96 ASN H H 1 8.951 0.007 . 1 . . 756 . A 96 ASN H . 30656 1 505 . 1 1 96 96 ASN CA C 13 52.170 . . 1 . . 1445 . A 96 ASN CA . 30656 1 506 . 1 1 96 96 ASN CB C 13 39.102 . . 1 . . 1443 . A 96 ASN CB . 30656 1 507 . 1 1 96 96 ASN N N 15 121.172 0.038 . 1 . . 757 . A 96 ASN N . 30656 1 508 . 1 1 97 97 PRO C C 13 178.637 . . 1 . . 1863 . A 97 PRO C . 30656 1 509 . 1 1 97 97 PRO CA C 13 65.514 . . 1 . . 1465 . A 97 PRO CA . 30656 1 510 . 1 1 97 97 PRO CB C 13 32.731 . . 1 . . 1466 . A 97 PRO CB . 30656 1 511 . 1 1 98 98 ASP H H 1 8.877 0.002 . 1 . . 1020 . A 98 ASP H . 30656 1 512 . 1 1 98 98 ASP C C 13 178.726 . . 1 . . 1864 . A 98 ASP C . 30656 1 513 . 1 1 98 98 ASP CA C 13 57.708 0.025 . 1 . . 1464 . A 98 ASP CA . 30656 1 514 . 1 1 98 98 ASP CB C 13 41.198 0.002 . 1 . . 1463 . A 98 ASP CB . 30656 1 515 . 1 1 98 98 ASP N N 15 118.237 0.022 . 1 . . 1021 . A 98 ASP N . 30656 1 516 . 1 1 99 99 ASP H H 1 7.785 0.005 . 1 . . 1697 . A 99 ASP H . 30656 1 517 . 1 1 99 99 ASP C C 13 178.783 . . 1 . . 1865 . A 99 ASP C . 30656 1 518 . 1 1 99 99 ASP CA C 13 57.456 0.038 . 1 . . 1460 . A 99 ASP CA . 30656 1 519 . 1 1 99 99 ASP CB C 13 40.828 0.047 . 1 . . 1461 . A 99 ASP CB . 30656 1 520 . 1 1 99 99 ASP N N 15 121.049 0.026 . 1 . . 966 . A 99 ASP N . 30656 1 521 . 1 1 100 100 VAL H H 1 7.472 0.005 . 1 . . 1696 . A 100 VAL H . 30656 1 522 . 1 1 100 100 VAL HG11 H 1 0.901 0.003 . 2 . . 1630 . A 100 VAL HG11 . 30656 1 523 . 1 1 100 100 VAL HG12 H 1 0.901 0.003 . 2 . . 1630 . A 100 VAL HG12 . 30656 1 524 . 1 1 100 100 VAL HG13 H 1 0.901 0.003 . 2 . . 1630 . A 100 VAL HG13 . 30656 1 525 . 1 1 100 100 VAL HG21 H 1 0.917 0.003 . 2 . . 1632 . A 100 VAL HG21 . 30656 1 526 . 1 1 100 100 VAL HG22 H 1 0.917 0.003 . 2 . . 1632 . A 100 VAL HG22 . 30656 1 527 . 1 1 100 100 VAL HG23 H 1 0.917 0.003 . 2 . . 1632 . A 100 VAL HG23 . 30656 1 528 . 1 1 100 100 VAL C C 13 177.787 . . 1 . . 1867 . A 100 VAL C . 30656 1 529 . 1 1 100 100 VAL CA C 13 66.658 0.063 . 1 . . 1459 . A 100 VAL CA . 30656 1 530 . 1 1 100 100 VAL CB C 13 32.316 0.038 . 1 . . 1462 . A 100 VAL CB . 30656 1 531 . 1 1 100 100 VAL CG1 C 13 20.404 0.031 . 2 . . 1631 . A 100 VAL CG1 . 30656 1 532 . 1 1 100 100 VAL CG2 C 13 22.639 0.027 . 2 . . 1633 . A 100 VAL CG2 . 30656 1 533 . 1 1 100 100 VAL N N 15 121.371 0.028 . 1 . . 731 . A 100 VAL N . 30656 1 534 . 1 1 101 101 PHE H H 1 7.919 0.005 . 1 . . 1130 . A 101 PHE H . 30656 1 535 . 1 1 101 101 PHE C C 13 177.213 . . 1 . . 1816 . A 101 PHE C . 30656 1 536 . 1 1 101 101 PHE CA C 13 61.768 0.013 . 1 . . 1458 . A 101 PHE CA . 30656 1 537 . 1 1 101 101 PHE CB C 13 40.650 0.017 . 1 . . 1457 . A 101 PHE CB . 30656 1 538 . 1 1 101 101 PHE N N 15 120.727 0.019 . 1 . . 1131 . A 101 PHE N . 30656 1 539 . 1 1 102 102 ARG H H 1 8.570 0.004 . 1 . . 1698 . A 102 ARG H . 30656 1 540 . 1 1 102 102 ARG C C 13 179.855 . . 1 . . 1868 . A 102 ARG C . 30656 1 541 . 1 1 102 102 ARG CA C 13 59.459 0.079 . 1 . . 1455 . A 102 ARG CA . 30656 1 542 . 1 1 102 102 ARG CB C 13 30.394 0.039 . 1 . . 1456 . A 102 ARG CB . 30656 1 543 . 1 1 102 102 ARG N N 15 118.452 0.067 . 1 . . 1377 . A 102 ARG N . 30656 1 544 . 1 1 103 103 GLU H H 1 8.125 0.007 . 1 . . 1212 . A 103 GLU H . 30656 1 545 . 1 1 103 103 GLU C C 13 178.981 . . 1 . . 1869 . A 103 GLU C . 30656 1 546 . 1 1 103 103 GLU CA C 13 59.012 0.02 . 1 . . 1454 . A 103 GLU CA . 30656 1 547 . 1 1 103 103 GLU CB C 13 30.005 0.005 . 1 . . 1453 . A 103 GLU CB . 30656 1 548 . 1 1 103 103 GLU N N 15 118.475 0.028 . 1 . . 1213 . A 103 GLU N . 30656 1 549 . 1 1 104 104 PHE H H 1 8.374 0.004 . 1 . . 983 . A 104 PHE H . 30656 1 550 . 1 1 104 104 PHE C C 13 177.464 . . 1 . . 1870 . A 104 PHE C . 30656 1 551 . 1 1 104 104 PHE CA C 13 61.932 0.022 . 1 . . 1452 . A 104 PHE CA . 30656 1 552 . 1 1 104 104 PHE CB C 13 39.827 0.047 . 1 . . 1451 . A 104 PHE CB . 30656 1 553 . 1 1 104 104 PHE N N 15 121.895 0.027 . 1 . . 984 . A 104 PHE N . 30656 1 554 . 1 1 105 105 PHE H H 1 8.030 0.007 . 1 . . 1210 . A 105 PHE H . 30656 1 555 . 1 1 105 105 PHE C C 13 176.663 . . 1 . . 1871 . A 105 PHE C . 30656 1 556 . 1 1 105 105 PHE CA C 13 59.862 0.016 . 1 . . 1449 . A 105 PHE CA . 30656 1 557 . 1 1 105 105 PHE CB C 13 38.945 0.014 . 1 . . 1450 . A 105 PHE CB . 30656 1 558 . 1 1 105 105 PHE N N 15 113.426 0.036 . 1 . . 1211 . A 105 PHE N . 30656 1 559 . 1 1 106 106 GLY H H 1 7.901 0.001 . 1 . . 1060 . A 106 GLY H . 30656 1 560 . 1 1 106 106 GLY C C 13 175.209 . . 1 . . 1872 . A 106 GLY C . 30656 1 561 . 1 1 106 106 GLY CA C 13 46.752 0.009 . 1 . . 1448 . A 106 GLY CA . 30656 1 562 . 1 1 106 106 GLY N N 15 109.240 0.034 . 1 . . 1061 . A 106 GLY N . 30656 1 563 . 1 1 107 107 GLY H H 1 8.549 0.006 . 1 . . 1116 . A 107 GLY H . 30656 1 564 . 1 1 107 107 GLY C C 13 173.652 . . 1 . . 1873 . A 107 GLY C . 30656 1 565 . 1 1 107 107 GLY CA C 13 45.338 0.013 . 1 . . 1447 . A 107 GLY CA . 30656 1 566 . 1 1 107 107 GLY N N 15 107.045 0.03 . 1 . . 1117 . A 107 GLY N . 30656 1 567 . 1 1 108 108 ARG H H 1 7.623 0.002 . 1 . . 722 . A 108 ARG H . 30656 1 568 . 1 1 108 108 ARG C C 13 175.064 . . 1 . . 1875 . A 108 ARG C . 30656 1 569 . 1 1 108 108 ARG CA C 13 55.315 0.0 . 1 . . 1531 . A 108 ARG CA . 30656 1 570 . 1 1 108 108 ARG CB C 13 31.776 . . 1 . . 1532 . A 108 ARG CB . 30656 1 571 . 1 1 108 108 ARG N N 15 118.926 0.03 . 1 . . 723 . A 108 ARG N . 30656 1 572 . 1 1 109 109 ASP H H 1 8.388 0.002 . 1 . . 740 . A 109 ASP H . 30656 1 573 . 1 1 109 109 ASP CA C 13 51.298 . . 1 . . 1533 . A 109 ASP CA . 30656 1 574 . 1 1 109 109 ASP CB C 13 41.963 . . 1 . . 1534 . A 109 ASP CB . 30656 1 575 . 1 1 109 109 ASP N N 15 120.776 0.078 . 1 . . 741 . A 109 ASP N . 30656 1 576 . 1 1 110 110 PRO C C 13 176.530 . . 1 . . 1876 . A 110 PRO C . 30656 1 577 . 1 1 110 110 PRO CA C 13 63.609 . . 1 . . 1495 . A 110 PRO CA . 30656 1 578 . 1 1 110 110 PRO CB C 13 31.806 . . 1 . . 1496 . A 110 PRO CB . 30656 1 579 . 1 1 111 111 PHE H H 1 7.883 0.004 . 1 . . 981 . A 111 PHE H . 30656 1 580 . 1 1 111 111 PHE C C 13 176.363 . . 1 . . 1877 . A 111 PHE C . 30656 1 581 . 1 1 111 111 PHE CA C 13 58.294 0.024 . 1 . . 1494 . A 111 PHE CA . 30656 1 582 . 1 1 111 111 PHE CB C 13 37.987 0.011 . 1 . . 1493 . A 111 PHE CB . 30656 1 583 . 1 1 111 111 PHE N N 15 116.357 0.047 . 1 . . 982 . A 111 PHE N . 30656 1 584 . 1 1 112 112 SER H H 1 7.545 0.008 . 1 . . 875 . A 112 SER H . 30656 1 585 . 1 1 112 112 SER CA C 13 58.697 0.006 . 1 . . 1492 . A 112 SER CA . 30656 1 586 . 1 1 112 112 SER CB C 13 64.485 0.003 . 1 . . 1490 . A 112 SER CB . 30656 1 587 . 1 1 112 112 SER N N 15 114.496 0.025 . 1 . . 876 . A 112 SER N . 30656 1 588 . 1 1 113 113 PHE H H 1 7.859 0.002 . 1 . . 774 . A 113 PHE H . 30656 1 589 . 1 1 113 113 PHE C C 13 176.339 . . 1 . . 1819 . A 113 PHE C . 30656 1 590 . 1 1 113 113 PHE CA C 13 58.047 0.033 . 1 . . 1491 . A 113 PHE CA . 30656 1 591 . 1 1 113 113 PHE CB C 13 39.797 0.076 . 1 . . 1489 . A 113 PHE CB . 30656 1 592 . 1 1 113 113 PHE N N 15 121.228 0.031 . 1 . . 775 . A 113 PHE N . 30656 1 593 . 1 1 114 114 ASP H H 1 8.156 0.003 . 1 . . 1224 . A 114 ASP H . 30656 1 594 . 1 1 114 114 ASP C C 13 175.686 . . 1 . . 1878 . A 114 ASP C . 30656 1 595 . 1 1 114 114 ASP CA C 13 54.204 0.001 . 1 . . 1486 . A 114 ASP CA . 30656 1 596 . 1 1 114 114 ASP CB C 13 41.481 0.013 . 1 . . 1488 . A 114 ASP CB . 30656 1 597 . 1 1 114 114 ASP N N 15 120.404 0.076 . 1 . . 1225 . A 114 ASP N . 30656 1 598 . 1 1 115 115 PHE H H 1 7.859 0.006 . 1 . . 1068 . A 115 PHE H . 30656 1 599 . 1 1 115 115 PHE C C 13 175.111 . . 1 . . 1879 . A 115 PHE C . 30656 1 600 . 1 1 115 115 PHE CA C 13 58.310 0.011 . 1 . . 1485 . A 115 PHE CA . 30656 1 601 . 1 1 115 115 PHE CB C 13 39.776 . . 1 . . 1487 . A 115 PHE CB . 30656 1 602 . 1 1 115 115 PHE N N 15 119.815 0.034 . 1 . . 1069 . A 115 PHE N . 30656 1 603 . 1 1 116 116 PHE H H 1 7.953 0.012 . 1 . . 782 . A 116 PHE H . 30656 1 604 . 1 1 116 116 PHE C C 13 174.983 . . 1 . . 1880 . A 116 PHE C . 30656 1 605 . 1 1 116 116 PHE CA C 13 57.654 0.003 . 1 . . 1484 . A 116 PHE CA . 30656 1 606 . 1 1 116 116 PHE CB C 13 39.905 0.023 . 1 . . 1483 . A 116 PHE CB . 30656 1 607 . 1 1 116 116 PHE N N 15 120.954 0.064 . 1 . . 783 . A 116 PHE N . 30656 1 608 . 1 1 117 117 GLU H H 1 8.086 0.012 . 1 . . 1026 . A 117 GLU H . 30656 1 609 . 1 1 117 117 GLU C C 13 175.252 . . 1 . . 1881 . A 117 GLU C . 30656 1 610 . 1 1 117 117 GLU CA C 13 56.148 0.009 . 1 . . 1482 . A 117 GLU CA . 30656 1 611 . 1 1 117 117 GLU CB C 13 30.782 0.014 . 1 . . 1480 . A 117 GLU CB . 30656 1 612 . 1 1 117 117 GLU N N 15 121.952 0.045 . 1 . . 1027 . A 117 GLU N . 30656 1 613 . 1 1 118 118 ASP H H 1 8.293 0.007 . 1 . . 849 . A 118 ASP H . 30656 1 614 . 1 1 118 118 ASP CA C 13 52.110 . . 1 . . 1481 . A 118 ASP CA . 30656 1 615 . 1 1 118 118 ASP CB C 13 42.128 . . 1 . . 1479 . A 118 ASP CB . 30656 1 616 . 1 1 118 118 ASP N N 15 122.578 0.047 . 1 . . 850 . A 118 ASP N . 30656 1 617 . 1 1 119 119 PRO C C 13 179.056 . . 1 . . 1882 . A 119 PRO C . 30656 1 618 . 1 1 119 119 PRO CA C 13 66.304 . . 1 . . 1538 . A 119 PRO CA . 30656 1 619 . 1 1 119 119 PRO CB C 13 32.155 . . 1 . . 1537 . A 119 PRO CB . 30656 1 620 . 1 1 120 120 PHE H H 1 10.584 0.018 . 1 . . 1094 . A 120 PHE H . 30656 1 621 . 1 1 120 120 PHE C C 13 178.021 . . 1 . . 1883 . A 120 PHE C . 30656 1 622 . 1 1 120 120 PHE CA C 13 56.889 0.004 . 1 . . 1535 . A 120 PHE CA . 30656 1 623 . 1 1 120 120 PHE CB C 13 40.192 0.013 . 1 . . 1536 . A 120 PHE CB . 30656 1 624 . 1 1 120 120 PHE N N 15 119.921 0.412 . 1 . . 1095 . A 120 PHE N . 30656 1 625 . 1 1 121 121 GLU H H 1 7.787 0.007 . 1 . . 847 . A 121 GLU H . 30656 1 626 . 1 1 121 121 GLU C C 13 175.632 . . 1 . . 1841 . A 121 GLU C . 30656 1 627 . 1 1 121 121 GLU CA C 13 53.807 0.019 . 1 . . 1539 . A 121 GLU CA . 30656 1 628 . 1 1 121 121 GLU CB C 13 31.819 0.013 . 1 . . 1540 . A 121 GLU CB . 30656 1 629 . 1 1 121 121 GLU N N 15 115.506 0.02 . 1 . . 848 . A 121 GLU N . 30656 1 630 . 1 1 122 122 ASP H H 1 7.431 0.007 . 1 . . 1032 . A 122 ASP H . 30656 1 631 . 1 1 122 122 ASP CA C 13 52.541 . . 1 . . 1542 . A 122 ASP CA . 30656 1 632 . 1 1 122 122 ASP CB C 13 42.923 . . 1 . . 1541 . A 122 ASP CB . 30656 1 633 . 1 1 122 122 ASP N N 15 118.744 0.03 . 1 . . 1033 . A 122 ASP N . 30656 1 634 . 1 1 125 125 GLY C C 13 177.044 . . 1 . . 1884 . A 125 GLY C . 30656 1 635 . 1 1 125 125 GLY CA C 13 45.734 . . 1 . . 1588 . A 125 GLY CA . 30656 1 636 . 1 1 126 126 ASN H H 1 8.254 0.014 . 1 . . 933 . A 126 ASN H . 30656 1 637 . 1 1 126 126 ASN C C 13 175.446 . . 1 . . 1874 . A 126 ASN C . 30656 1 638 . 1 1 126 126 ASN CA C 13 53.479 0.012 . 1 . . 1587 . A 126 ASN CA . 30656 1 639 . 1 1 126 126 ASN CB C 13 39.276 0.048 . 1 . . 1586 . A 126 ASN CB . 30656 1 640 . 1 1 126 126 ASN N N 15 108.640 0.117 . 1 . . 934 . A 126 ASN N . 30656 1 641 . 1 1 127 127 ARG H H 1 8.380 0.002 . 1 . . 1045 . A 127 ARG H . 30656 1 642 . 1 1 127 127 ARG C C 13 176.219 . . 1 . . 1885 . A 127 ARG C . 30656 1 643 . 1 1 127 127 ARG CA C 13 56.412 0.011 . 1 . . 1584 . A 127 ARG CA . 30656 1 644 . 1 1 127 127 ARG CB C 13 30.544 0.017 . 1 . . 1585 . A 127 ARG CB . 30656 1 645 . 1 1 127 127 ARG N N 15 120.931 0.052 . 1 . . 1046 . A 127 ARG N . 30656 1 646 . 1 1 128 128 ARG H H 1 8.297 0.002 . 1 . . 1156 . A 128 ARG H . 30656 1 647 . 1 1 128 128 ARG C C 13 176.433 . . 1 . . 1847 . A 128 ARG C . 30656 1 648 . 1 1 128 128 ARG CA C 13 56.029 0.046 . 1 . . 1583 . A 128 ARG CA . 30656 1 649 . 1 1 128 128 ARG CB C 13 30.941 0.028 . 1 . . 1581 . A 128 ARG CB . 30656 1 650 . 1 1 128 128 ARG N N 15 121.099 0.047 . 1 . . 1157 . A 128 ARG N . 30656 1 651 . 1 1 129 129 GLY H H 1 8.171 0.004 . 1 . . 1001 . A 129 GLY H . 30656 1 652 . 1 1 129 129 GLY CA C 13 44.557 . . 1 . . 1582 . A 129 GLY CA . 30656 1 653 . 1 1 129 129 GLY N N 15 109.423 0.037 . 1 . . 1002 . A 129 GLY N . 30656 1 654 . 1 1 130 130 PRO C C 13 177.507 . . 1 . . 1886 . A 130 PRO C . 30656 1 655 . 1 1 130 130 PRO CA C 13 63.292 . . 1 . . 1552 . A 130 PRO CA . 30656 1 656 . 1 1 130 130 PRO CB C 13 32.267 . . 1 . . 1554 . A 130 PRO CB . 30656 1 657 . 1 1 131 131 ARG H H 1 8.536 0.005 . 1 . . 867 . A 131 ARG H . 30656 1 658 . 1 1 131 131 ARG C C 13 177.034 . . 1 . . 1887 . A 131 ARG C . 30656 1 659 . 1 1 131 131 ARG CA C 13 56.321 0.002 . 1 . . 1551 . A 131 ARG CA . 30656 1 660 . 1 1 131 131 ARG CB C 13 30.566 0.006 . 1 . . 1553 . A 131 ARG CB . 30656 1 661 . 1 1 131 131 ARG N N 15 120.964 0.023 . 1 . . 868 . A 131 ARG N . 30656 1 662 . 1 1 132 132 GLY H H 1 8.380 0.005 . 1 . . 881 . A 132 GLY H . 30656 1 663 . 1 1 132 132 GLY CA C 13 45.450 . . 1 . . 1555 . A 132 GLY CA . 30656 1 664 . 1 1 132 132 GLY N N 15 109.548 0.036 . 1 . . 882 . A 132 GLY N . 30656 1 665 . 1 1 133 133 GLY C C 13 174.311 . . 1 . . 1889 . A 133 GLY C . 30656 1 666 . 1 1 133 133 GLY CA C 13 45.338 . . 1 . . 1580 . A 133 GLY CA . 30656 1 667 . 1 1 134 134 MET H H 1 8.314 0.007 . 1 . . 1208 . A 134 MET H . 30656 1 668 . 1 1 134 134 MET C C 13 176.811 . . 1 . . 1888 . A 134 MET C . 30656 1 669 . 1 1 134 134 MET CA C 13 55.604 0.003 . 1 . . 1579 . A 134 MET CA . 30656 1 670 . 1 1 134 134 MET CB C 13 33.034 0.007 . 1 . . 1578 . A 134 MET CB . 30656 1 671 . 1 1 134 134 MET N N 15 119.337 0.074 . 1 . . 1209 . A 134 MET N . 30656 1 672 . 1 1 135 135 GLY H H 1 8.426 0.006 . 1 . . 911 . A 135 GLY H . 30656 1 673 . 1 1 135 135 GLY C C 13 174.464 . . 1 . . 1866 . A 135 GLY C . 30656 1 674 . 1 1 135 135 GLY CA C 13 45.536 0.084 . 1 . . 1755 . A 135 GLY CA . 30656 1 675 . 1 1 135 135 GLY N N 15 109.397 0.033 . 1 . . 912 . A 135 GLY N . 30656 1 676 . 1 1 136 136 ASN H H 1 7.974 0.003 . 1 . . 1084 . A 136 ASN H . 30656 1 677 . 1 1 136 136 ASN C C 13 177.360 . . 1 . . 1890 . A 136 ASN C . 30656 1 678 . 1 1 136 136 ASN CA C 13 55.623 . . 1 . . 1754 . A 136 ASN CA . 30656 1 679 . 1 1 136 136 ASN CB C 13 42.049 0.007 . 1 . . 1753 . A 136 ASN CB . 30656 1 680 . 1 1 136 136 ASN N N 15 120.659 0.074 . 1 . . 1085 . A 136 ASN N . 30656 1 681 . 1 1 137 137 PHE H H 1 8.305 0.007 . 1 . . 817 . A 137 PHE H . 30656 1 682 . 1 1 137 137 PHE CA C 13 53.523 . . 1 . . 1757 . A 137 PHE CA . 30656 1 683 . 1 1 137 137 PHE CB C 13 39.325 . . 1 . . 1756 . A 137 PHE CB . 30656 1 684 . 1 1 137 137 PHE N N 15 117.793 0.039 . 1 . . 818 . A 137 PHE N . 30656 1 685 . 1 1 142 142 THR C C 13 173.494 . . 1 . . 1891 . A 142 THR C . 30656 1 686 . 1 1 142 142 THR CA C 13 61.005 . . 1 . . 1598 . A 142 THR CA . 30656 1 687 . 1 1 142 142 THR CB C 13 71.429 . . 1 . . 1597 . A 142 THR CB . 30656 1 688 . 1 1 143 143 SER H H 1 8.721 0.008 . 1 . . 750 . A 143 SER H . 30656 1 689 . 1 1 143 143 SER C C 13 173.020 . . 1 . . 1892 . A 143 SER C . 30656 1 690 . 1 1 143 143 SER CA C 13 57.249 . . 1 . . 1599 . A 143 SER CA . 30656 1 691 . 1 1 143 143 SER CB C 13 65.800 . . 1 . . 1596 . A 143 SER CB . 30656 1 692 . 1 1 143 143 SER N N 15 119.310 0.026 . 1 . . 751 . A 143 SER N . 30656 1 693 . 1 1 144 144 THR H H 1 8.739 0.013 . 1 . . 727 . A 144 THR H . 30656 1 694 . 1 1 144 144 THR C C 13 173.126 . . 1 . . 1894 . A 144 THR C . 30656 1 695 . 1 1 144 144 THR CA C 13 61.729 0.031 . 1 . . 1549 . A 144 THR CA . 30656 1 696 . 1 1 144 144 THR CB C 13 71.928 0.022 . 1 . . 1550 . A 144 THR CB . 30656 1 697 . 1 1 144 144 THR N N 15 119.895 0.082 . 1 . . 728 . A 144 THR N . 30656 1 698 . 1 1 145 145 LYS H H 1 9.006 0.007 . 1 . . 784 . A 145 LYS H . 30656 1 699 . 1 1 145 145 LYS C C 13 173.671 . . 1 . . 1895 . A 145 LYS C . 30656 1 700 . 1 1 145 145 LYS CA C 13 54.809 0.004 . 1 . . 1548 . A 145 LYS CA . 30656 1 701 . 1 1 145 145 LYS CB C 13 36.136 0.003 . 1 . . 1547 . A 145 LYS CB . 30656 1 702 . 1 1 145 145 LYS N N 15 125.320 0.034 . 1 . . 785 . A 145 LYS N . 30656 1 703 . 1 1 146 146 MET H H 1 8.499 0.008 . 1 . . 742 . A 146 MET H . 30656 1 704 . 1 1 146 146 MET C C 13 176.665 . . 1 . . 1896 . A 146 MET C . 30656 1 705 . 1 1 146 146 MET CA C 13 53.248 0.003 . 1 . . 1544 . A 146 MET CA . 30656 1 706 . 1 1 146 146 MET CB C 13 31.698 . . 1 . . 1546 . A 146 MET CB . 30656 1 707 . 1 1 146 146 MET N N 15 120.839 0.036 . 1 . . 743 . A 146 MET N . 30656 1 708 . 1 1 147 147 VAL H H 1 9.164 0.008 . 1 . . 989 . A 147 VAL H . 30656 1 709 . 1 1 147 147 VAL HG11 H 1 0.872 0.015 . 2 . . 1713 . A 147 VAL HG11 . 30656 1 710 . 1 1 147 147 VAL HG12 H 1 0.872 0.015 . 2 . . 1713 . A 147 VAL HG12 . 30656 1 711 . 1 1 147 147 VAL HG13 H 1 0.872 0.015 . 2 . . 1713 . A 147 VAL HG13 . 30656 1 712 . 1 1 147 147 VAL HG21 H 1 0.859 0.009 . 2 . . 1716 . A 147 VAL HG21 . 30656 1 713 . 1 1 147 147 VAL HG22 H 1 0.859 0.009 . 2 . . 1716 . A 147 VAL HG22 . 30656 1 714 . 1 1 147 147 VAL HG23 H 1 0.859 0.009 . 2 . . 1716 . A 147 VAL HG23 . 30656 1 715 . 1 1 147 147 VAL C C 13 176.195 0.015 . 1 . . 1719 . A 147 VAL C . 30656 1 716 . 1 1 147 147 VAL CA C 13 61.626 0.011 . 1 . . 1543 . A 147 VAL CA . 30656 1 717 . 1 1 147 147 VAL CB C 13 34.108 0.083 . 1 . . 1545 . A 147 VAL CB . 30656 1 718 . 1 1 147 147 VAL CG1 C 13 20.498 0.043 . 2 . . 1714 . A 147 VAL CG1 . 30656 1 719 . 1 1 147 147 VAL CG2 C 13 20.480 0.03 . 2 . . 1717 . A 147 VAL CG2 . 30656 1 720 . 1 1 147 147 VAL N N 15 125.287 0.03 . 1 . . 990 . A 147 VAL N . 30656 1 721 . 1 1 148 148 ASN H H 1 9.524 0.008 . 1 . . 879 . A 148 ASN H . 30656 1 722 . 1 1 148 148 ASN C C 13 175.130 . . 1 . . 1897 . A 148 ASN C . 30656 1 723 . 1 1 148 148 ASN CA C 13 54.269 0.009 . 1 . . 1593 . A 148 ASN CA . 30656 1 724 . 1 1 148 148 ASN CB C 13 37.966 0.036 . 1 . . 1592 . A 148 ASN CB . 30656 1 725 . 1 1 148 148 ASN N N 15 127.406 0.029 . 1 . . 880 . A 148 ASN N . 30656 1 726 . 1 1 149 149 GLY H H 1 8.611 0.008 . 1 . . 897 . A 149 GLY H . 30656 1 727 . 1 1 149 149 GLY C C 13 175.838 . . 1 . . 1898 . A 149 GLY C . 30656 1 728 . 1 1 149 149 GLY CA C 13 45.401 0.006 . 1 . . 1591 . A 149 GLY CA . 30656 1 729 . 1 1 149 149 GLY N N 15 102.979 0.029 . 1 . . 898 . A 149 GLY N . 30656 1 730 . 1 1 150 150 ARG H H 1 7.925 0.005 . 1 . . 895 . A 150 ARG H . 30656 1 731 . 1 1 150 150 ARG C C 13 174.430 . . 1 . . 1899 . A 150 ARG C . 30656 1 732 . 1 1 150 150 ARG CA C 13 54.664 . . 1 . . 1511 . A 150 ARG CA . 30656 1 733 . 1 1 150 150 ARG CB C 13 32.067 . . 1 . . 1510 . A 150 ARG CB . 30656 1 734 . 1 1 150 150 ARG N N 15 121.019 0.062 . 1 . . 896 . A 150 ARG N . 30656 1 735 . 1 1 151 151 LYS H H 1 8.958 0.009 . 1 . . 893 . A 151 LYS H . 30656 1 736 . 1 1 151 151 LYS C C 13 175.871 . . 1 . . 1900 . A 151 LYS C . 30656 1 737 . 1 1 151 151 LYS CA C 13 56.453 0.002 . 1 . . 1506 . A 151 LYS CA . 30656 1 738 . 1 1 151 151 LYS CB C 13 33.228 0.03 . 1 . . 1505 . A 151 LYS CB . 30656 1 739 . 1 1 151 151 LYS N N 15 124.606 0.028 . 1 . . 894 . A 151 LYS N . 30656 1 740 . 1 1 152 152 ILE H H 1 9.377 0.007 . 1 . . 1168 . A 152 ILE H . 30656 1 741 . 1 1 152 152 ILE HD11 H 1 0.751 0.002 . 1 . . 1642 . A 152 ILE HD11 . 30656 1 742 . 1 1 152 152 ILE HD12 H 1 0.751 0.002 . 1 . . 1642 . A 152 ILE HD12 . 30656 1 743 . 1 1 152 152 ILE HD13 H 1 0.751 0.002 . 1 . . 1642 . A 152 ILE HD13 . 30656 1 744 . 1 1 152 152 ILE C C 13 176.933 . . 1 . . 1901 . A 152 ILE C . 30656 1 745 . 1 1 152 152 ILE CA C 13 59.598 0.064 . 1 . . 1503 . A 152 ILE CA . 30656 1 746 . 1 1 152 152 ILE CB C 13 38.129 0.027 . 1 . . 1504 . A 152 ILE CB . 30656 1 747 . 1 1 152 152 ILE CG1 C 13 26.763 . . 1 . . 1644 . A 152 ILE CG1 . 30656 1 748 . 1 1 152 152 ILE CD1 C 13 11.921 0.035 . 1 . . 1643 . A 152 ILE CD1 . 30656 1 749 . 1 1 152 152 ILE N N 15 130.653 0.039 . 1 . . 1169 . A 152 ILE N . 30656 1 750 . 1 1 153 153 THR H H 1 9.388 0.005 . 1 . . 1054 . A 153 THR H . 30656 1 751 . 1 1 153 153 THR C C 13 173.380 . . 1 . . 1903 . A 153 THR C . 30656 1 752 . 1 1 153 153 THR CA C 13 61.476 0.028 . 1 . . 1502 . A 153 THR CA . 30656 1 753 . 1 1 153 153 THR CB C 13 71.154 0.005 . 1 . . 1500 . A 153 THR CB . 30656 1 754 . 1 1 153 153 THR N N 15 126.839 0.03 . 1 . . 1055 . A 153 THR N . 30656 1 755 . 1 1 154 154 THR H H 1 9.252 0.009 . 1 . . 909 . A 154 THR H . 30656 1 756 . 1 1 154 154 THR C C 13 173.669 . . 1 . . 1904 . A 154 THR C . 30656 1 757 . 1 1 154 154 THR CA C 13 62.079 0.019 . 1 . . 1501 . A 154 THR CA . 30656 1 758 . 1 1 154 154 THR CB C 13 70.354 0.041 . 1 . . 1499 . A 154 THR CB . 30656 1 759 . 1 1 154 154 THR N N 15 123.882 0.026 . 1 . . 910 . A 154 THR N . 30656 1 760 . 1 1 155 155 LYS H H 1 9.546 0.007 . 1 . . 953 . A 155 LYS H . 30656 1 761 . 1 1 155 155 LYS C C 13 173.974 . . 1 . . 1893 . A 155 LYS C . 30656 1 762 . 1 1 155 155 LYS CA C 13 54.837 . . 1 . . 1529 . A 155 LYS CA . 30656 1 763 . 1 1 155 155 LYS CB C 13 35.459 0.073 . 1 . . 1530 . A 155 LYS CB . 30656 1 764 . 1 1 155 155 LYS N N 15 129.802 0.026 . 1 . . 954 . A 155 LYS N . 30656 1 765 . 1 1 156 156 ARG H H 1 9.046 0.014 . 1 . . 1066 . A 156 ARG H . 30656 1 766 . 1 1 156 156 ARG CA C 13 54.954 . . 1 . . 1605 . A 156 ARG CA . 30656 1 767 . 1 1 156 156 ARG CB C 13 32.057 . . 1 . . 1604 . A 156 ARG CB . 30656 1 768 . 1 1 156 156 ARG N N 15 125.643 0.036 . 1 . . 1067 . A 156 ARG N . 30656 1 769 . 1 1 157 157 ILE H H 1 9.511 0.009 . 1 . . 1928 . A 157 ILE H . 30656 1 770 . 1 1 157 157 ILE HD11 H 1 0.780 0.003 . 1 . . 1771 . A 157 ILE HD11 . 30656 1 771 . 1 1 157 157 ILE HD12 H 1 0.780 0.003 . 1 . . 1771 . A 157 ILE HD12 . 30656 1 772 . 1 1 157 157 ILE HD13 H 1 0.780 0.003 . 1 . . 1771 . A 157 ILE HD13 . 30656 1 773 . 1 1 157 157 ILE CD1 C 13 14.697 0.025 . 1 . . 1772 . A 157 ILE CD1 . 30656 1 774 . 1 1 160 160 ASN C C 13 175.387 . . 1 . . 1905 . A 160 ASN C . 30656 1 775 . 1 1 160 160 ASN CA C 13 54.624 . . 1 . . 1764 . A 160 ASN CA . 30656 1 776 . 1 1 160 160 ASN CB C 13 37.985 . . 1 . . 1763 . A 160 ASN CB . 30656 1 777 . 1 1 161 161 GLY H H 1 8.645 0.008 . 1 . . 1062 . A 161 GLY H . 30656 1 778 . 1 1 161 161 GLY C C 13 173.558 . . 1 . . 1906 . A 161 GLY C . 30656 1 779 . 1 1 161 161 GLY CA C 13 45.682 0.017 . 1 . . 1762 . A 161 GLY CA . 30656 1 780 . 1 1 161 161 GLY N N 15 104.461 0.025 . 1 . . 1063 . A 161 GLY N . 30656 1 781 . 1 1 162 162 GLN H H 1 7.967 0.007 . 1 . . 877 . A 162 GLN H . 30656 1 782 . 1 1 162 162 GLN C C 13 174.302 . . 1 . . 1907 . A 162 GLN C . 30656 1 783 . 1 1 162 162 GLN CA C 13 54.317 0.025 . 1 . . 1761 . A 162 GLN CA . 30656 1 784 . 1 1 162 162 GLN CB C 13 31.380 0.035 . 1 . . 1759 . A 162 GLN CB . 30656 1 785 . 1 1 162 162 GLN N N 15 119.846 0.073 . 1 . . 878 . A 162 GLN N . 30656 1 786 . 1 1 163 163 GLU H H 1 8.624 0.001 . 1 . . 863 . A 163 GLU H . 30656 1 787 . 1 1 163 163 GLU CA C 13 55.229 . . 1 . . 1760 . A 163 GLU CA . 30656 1 788 . 1 1 163 163 GLU CB C 13 32.519 . . 1 . . 1758 . A 163 GLU CB . 30656 1 789 . 1 1 163 163 GLU N N 15 124.303 0.033 . 1 . . 864 . A 163 GLU N . 30656 1 790 . 1 1 164 164 ARG CA C 13 56.005 . . 1 . . 1700 . A 164 ARG CA . 30656 1 791 . 1 1 165 165 VAL H H 1 8.938 0.006 . 1 . . 1567 . A 165 VAL H . 30656 1 792 . 1 1 165 165 VAL HG11 H 1 0.746 0.005 . 2 . . 1678 . A 165 VAL HG11 . 30656 1 793 . 1 1 165 165 VAL HG12 H 1 0.746 0.005 . 2 . . 1678 . A 165 VAL HG12 . 30656 1 794 . 1 1 165 165 VAL HG13 H 1 0.746 0.005 . 2 . . 1678 . A 165 VAL HG13 . 30656 1 795 . 1 1 165 165 VAL HG21 H 1 0.858 0.005 . 2 . . 1680 . A 165 VAL HG21 . 30656 1 796 . 1 1 165 165 VAL HG22 H 1 0.858 0.005 . 2 . . 1680 . A 165 VAL HG22 . 30656 1 797 . 1 1 165 165 VAL HG23 H 1 0.858 0.005 . 2 . . 1680 . A 165 VAL HG23 . 30656 1 798 . 1 1 165 165 VAL C C 13 175.812 0.014 . 1 . . 1908 . A 165 VAL C . 30656 1 799 . 1 1 165 165 VAL CA C 13 61.147 0.042 . 1 . . 1527 . A 165 VAL CA . 30656 1 800 . 1 1 165 165 VAL CB C 13 33.349 0.022 . 1 . . 1528 . A 165 VAL CB . 30656 1 801 . 1 1 165 165 VAL CG1 C 13 21.243 0.034 . 2 . . 1679 . A 165 VAL CG1 . 30656 1 802 . 1 1 165 165 VAL CG2 C 13 20.721 0.027 . 2 . . 1681 . A 165 VAL CG2 . 30656 1 803 . 1 1 165 165 VAL N N 15 124.755 0.068 . 1 . . 1568 . A 165 VAL N . 30656 1 804 . 1 1 166 166 GLU H H 1 9.337 0.009 . 1 . . 798 . A 166 GLU H . 30656 1 805 . 1 1 166 166 GLU C C 13 175.335 . . 1 . . 1909 . A 166 GLU C . 30656 1 806 . 1 1 166 166 GLU CA C 13 54.410 0.018 . 1 . . 1526 . A 166 GLU CA . 30656 1 807 . 1 1 166 166 GLU CB C 13 32.781 0.019 . 1 . . 1525 . A 166 GLU CB . 30656 1 808 . 1 1 166 166 GLU N N 15 127.999 0.027 . 1 . . 799 . A 166 GLU N . 30656 1 809 . 1 1 167 167 VAL H H 1 8.814 0.006 . 1 . . 1699 . A 167 VAL H . 30656 1 810 . 1 1 167 167 VAL HG11 H 1 0.803 0.004 . 2 . . 1704 . A 167 VAL HG11 . 30656 1 811 . 1 1 167 167 VAL HG12 H 1 0.803 0.004 . 2 . . 1704 . A 167 VAL HG12 . 30656 1 812 . 1 1 167 167 VAL HG13 H 1 0.803 0.004 . 2 . . 1704 . A 167 VAL HG13 . 30656 1 813 . 1 1 167 167 VAL HG21 H 1 0.917 0.004 . 2 . . 1708 . A 167 VAL HG21 . 30656 1 814 . 1 1 167 167 VAL HG22 H 1 0.917 0.004 . 2 . . 1708 . A 167 VAL HG22 . 30656 1 815 . 1 1 167 167 VAL HG23 H 1 0.917 0.004 . 2 . . 1708 . A 167 VAL HG23 . 30656 1 816 . 1 1 167 167 VAL C C 13 175.082 0.014 . 1 . . 1712 . A 167 VAL C . 30656 1 817 . 1 1 167 167 VAL CA C 13 61.502 0.07 . 1 . . 1711 . A 167 VAL CA . 30656 1 818 . 1 1 167 167 VAL CB C 13 34.076 0.052 . 1 . . 1710 . A 167 VAL CB . 30656 1 819 . 1 1 167 167 VAL CG1 C 13 20.589 0.039 . 2 . . 1709 . A 167 VAL CG1 . 30656 1 820 . 1 1 167 167 VAL CG2 C 13 20.953 0.039 . 2 . . 1706 . A 167 VAL CG2 . 30656 1 821 . 1 1 167 167 VAL N N 15 123.516 0.029 . 1 . . 1051 . A 167 VAL N . 30656 1 822 . 1 1 168 168 GLU H H 1 9.337 0.005 . 1 . . 1058 . A 168 GLU H . 30656 1 823 . 1 1 168 168 GLU C C 13 174.643 . . 1 . . 1910 . A 168 GLU C . 30656 1 824 . 1 1 168 168 GLU CA C 13 53.989 0.04 . 1 . . 1523 . A 168 GLU CA . 30656 1 825 . 1 1 168 168 GLU CB C 13 33.852 0.026 . 1 . . 1524 . A 168 GLU CB . 30656 1 826 . 1 1 168 168 GLU N N 15 127.419 0.028 . 1 . . 1059 . A 168 GLU N . 30656 1 827 . 1 1 169 169 GLU H H 1 8.823 0.007 . 1 . . 1140 . A 169 GLU H . 30656 1 828 . 1 1 169 169 GLU C C 13 176.232 . . 1 . . 1911 . A 169 GLU C . 30656 1 829 . 1 1 169 169 GLU CA C 13 54.380 0.029 . 1 . . 1522 . A 169 GLU CA . 30656 1 830 . 1 1 169 169 GLU CB C 13 32.935 0.015 . 1 . . 1521 . A 169 GLU CB . 30656 1 831 . 1 1 169 169 GLU N N 15 122.415 0.035 . 1 . . 1141 . A 169 GLU N . 30656 1 832 . 1 1 170 170 ASP H H 1 9.873 0.01 . 1 . . 1092 . A 170 ASP H . 30656 1 833 . 1 1 170 170 ASP C C 13 176.144 . . 1 . . 1912 . A 170 ASP C . 30656 1 834 . 1 1 170 170 ASP CA C 13 56.046 0.012 . 1 . . 1520 . A 170 ASP CA . 30656 1 835 . 1 1 170 170 ASP CB C 13 40.597 0.006 . 1 . . 1519 . A 170 ASP CB . 30656 1 836 . 1 1 170 170 ASP N N 15 128.487 0.038 . 1 . . 1093 . A 170 ASP N . 30656 1 837 . 1 1 171 171 GLY H H 1 8.742 0.007 . 1 . . 939 . A 171 GLY H . 30656 1 838 . 1 1 171 171 GLY C C 13 173.602 . . 1 . . 1913 . A 171 GLY C . 30656 1 839 . 1 1 171 171 GLY CA C 13 45.509 0.007 . 1 . . 1518 . A 171 GLY CA . 30656 1 840 . 1 1 171 171 GLY N N 15 103.004 0.04 . 1 . . 940 . A 171 GLY N . 30656 1 841 . 1 1 172 172 GLN H H 1 7.833 0.006 . 1 . . 1022 . A 172 GLN H . 30656 1 842 . 1 1 172 172 GLN C C 13 175.302 . . 1 . . 1836 . A 172 GLN C . 30656 1 843 . 1 1 172 172 GLN CA C 13 53.771 0.003 . 1 . . 1516 . A 172 GLN CA . 30656 1 844 . 1 1 172 172 GLN CB C 13 30.828 0.008 . 1 . . 1517 . A 172 GLN CB . 30656 1 845 . 1 1 172 172 GLN N N 15 119.255 0.035 . 1 . . 1023 . A 172 GLN N . 30656 1 846 . 1 1 173 173 LEU H H 1 8.823 0.007 . 1 . . 1148 . A 173 LEU H . 30656 1 847 . 1 1 173 173 LEU HD11 H 1 0.989 0.003 . 2 . . 1666 . A 173 LEU HD11 . 30656 1 848 . 1 1 173 173 LEU HD12 H 1 0.989 0.003 . 2 . . 1666 . A 173 LEU HD12 . 30656 1 849 . 1 1 173 173 LEU HD13 H 1 0.989 0.003 . 2 . . 1666 . A 173 LEU HD13 . 30656 1 850 . 1 1 173 173 LEU HD21 H 1 0.909 0.004 . 2 . . 1672 . A 173 LEU HD21 . 30656 1 851 . 1 1 173 173 LEU HD22 H 1 0.909 0.004 . 2 . . 1672 . A 173 LEU HD22 . 30656 1 852 . 1 1 173 173 LEU HD23 H 1 0.909 0.004 . 2 . . 1672 . A 173 LEU HD23 . 30656 1 853 . 1 1 173 173 LEU C C 13 176.063 . . 1 . . 1914 . A 173 LEU C . 30656 1 854 . 1 1 173 173 LEU CA C 13 56.791 0.069 . 1 . . 1515 . A 173 LEU CA . 30656 1 855 . 1 1 173 173 LEU CB C 13 41.599 0.045 . 1 . . 1514 . A 173 LEU CB . 30656 1 856 . 1 1 173 173 LEU CG C 13 26.340 . . 1 . . 1668 . A 173 LEU CG . 30656 1 857 . 1 1 173 173 LEU CD1 C 13 23.293 0.031 . 2 . . 1667 . A 173 LEU CD1 . 30656 1 858 . 1 1 173 173 LEU CD2 C 13 25.913 0.031 . 2 . . 1673 . A 173 LEU CD2 . 30656 1 859 . 1 1 173 173 LEU N N 15 127.541 0.025 . 1 . . 1149 . A 173 LEU N . 30656 1 860 . 1 1 174 174 LYS H H 1 9.450 0.007 . 1 . . 1104 . A 174 LYS H . 30656 1 861 . 1 1 174 174 LYS C C 13 176.372 . . 1 . . 1915 . A 174 LYS C . 30656 1 862 . 1 1 174 174 LYS CA C 13 55.265 0.052 . 1 . . 1512 . A 174 LYS CA . 30656 1 863 . 1 1 174 174 LYS CB C 13 34.658 0.012 . 1 . . 1513 . A 174 LYS CB . 30656 1 864 . 1 1 174 174 LYS N N 15 126.403 0.031 . 1 . . 1105 . A 174 LYS N . 30656 1 865 . 1 1 175 175 SER H H 1 7.696 0.006 . 1 . . 885 . A 175 SER H . 30656 1 866 . 1 1 175 175 SER CA C 13 57.115 . . 1 . . 1594 . A 175 SER CA . 30656 1 867 . 1 1 175 175 SER CB C 13 64.651 . . 1 . . 1595 . A 175 SER CB . 30656 1 868 . 1 1 175 175 SER N N 15 112.771 0.033 . 1 . . 886 . A 175 SER N . 30656 1 869 . 1 1 176 176 LEU HD11 H 1 0.915 0.009 . 2 . . 1736 . A 176 LEU HD11 . 30656 1 870 . 1 1 176 176 LEU HD12 H 1 0.915 0.009 . 2 . . 1736 . A 176 LEU HD12 . 30656 1 871 . 1 1 176 176 LEU HD13 H 1 0.915 0.009 . 2 . . 1736 . A 176 LEU HD13 . 30656 1 872 . 1 1 176 176 LEU HD21 H 1 0.808 0.007 . 2 . . 1740 . A 176 LEU HD21 . 30656 1 873 . 1 1 176 176 LEU HD22 H 1 0.808 0.007 . 2 . . 1740 . A 176 LEU HD22 . 30656 1 874 . 1 1 176 176 LEU HD23 H 1 0.808 0.007 . 2 . . 1740 . A 176 LEU HD23 . 30656 1 875 . 1 1 176 176 LEU C C 13 174.539 0.017 . 1 . . 1738 . A 176 LEU C . 30656 1 876 . 1 1 176 176 LEU CA C 13 54.341 0.031 . 1 . . 1606 . A 176 LEU CA . 30656 1 877 . 1 1 176 176 LEU CB C 13 45.628 0.005 . 1 . . 1739 . A 176 LEU CB . 30656 1 878 . 1 1 176 176 LEU CG C 13 27.815 0.004 . 1 . . 1742 . A 176 LEU CG . 30656 1 879 . 1 1 176 176 LEU CD1 C 13 24.597 0.036 . 2 . . 1737 . A 176 LEU CD1 . 30656 1 880 . 1 1 176 176 LEU CD2 C 13 24.836 0.022 . 2 . . 1741 . A 176 LEU CD2 . 30656 1 881 . 1 1 177 177 THR H H 1 9.222 0.017 . 1 . . 794 . A 177 THR H . 30656 1 882 . 1 1 177 177 THR C C 13 174.090 . . 1 . . 1916 . A 177 THR C . 30656 1 883 . 1 1 177 177 THR CA C 13 59.504 0.027 . 1 . . 1600 . A 177 THR CA . 30656 1 884 . 1 1 177 177 THR CB C 13 71.581 0.034 . 1 . . 1601 . A 177 THR CB . 30656 1 885 . 1 1 177 177 THR N N 15 118.256 0.031 . 1 . . 795 . A 177 THR N . 30656 1 886 . 1 1 178 178 ILE H H 1 8.170 0.005 . 1 . . 871 . A 178 ILE H . 30656 1 887 . 1 1 178 178 ILE HD11 H 1 0.815 0.004 . 1 . . 1652 . A 178 ILE HD11 . 30656 1 888 . 1 1 178 178 ILE HD12 H 1 0.815 0.004 . 1 . . 1652 . A 178 ILE HD12 . 30656 1 889 . 1 1 178 178 ILE HD13 H 1 0.815 0.004 . 1 . . 1652 . A 178 ILE HD13 . 30656 1 890 . 1 1 178 178 ILE C C 13 176.797 0.012 . 1 . . 1917 . A 178 ILE C . 30656 1 891 . 1 1 178 178 ILE CA C 13 60.301 0.067 . 1 . . 1602 . A 178 ILE CA . 30656 1 892 . 1 1 178 178 ILE CB C 13 39.847 0.031 . 1 . . 1603 . A 178 ILE CB . 30656 1 893 . 1 1 178 178 ILE CG1 C 13 26.847 . . 1 . . 1654 . A 178 ILE CG1 . 30656 1 894 . 1 1 178 178 ILE CD1 C 13 12.578 0.034 . 1 . . 1653 . A 178 ILE CD1 . 30656 1 895 . 1 1 178 178 ILE N N 15 121.476 0.047 . 1 . . 872 . A 178 ILE N . 30656 1 896 . 1 1 179 179 ASN H H 1 9.790 0.02 . 1 . . 973 . A 179 ASN H . 30656 1 897 . 1 1 179 179 ASN C C 13 175.427 . . 1 . . 1918 . A 179 ASN C . 30656 1 898 . 1 1 179 179 ASN CA C 13 54.181 . . 1 . . 1701 . A 179 ASN CA . 30656 1 899 . 1 1 179 179 ASN CB C 13 37.691 0.067 . 1 . . 1702 . A 179 ASN CB . 30656 1 900 . 1 1 179 179 ASN N N 15 129.087 0.05 . 1 . . 974 . A 179 ASN N . 30656 1 901 . 1 1 180 180 GLY H H 1 8.996 0.012 . 1 . . 1100 . A 180 GLY H . 30656 1 902 . 1 1 180 180 GLY C C 13 173.709 . . 1 . . 1919 . A 180 GLY C . 30656 1 903 . 1 1 180 180 GLY CA C 13 45.264 . . 1 . . 1703 . A 180 GLY CA . 30656 1 904 . 1 1 180 180 GLY N N 15 102.803 0.036 . 1 . . 1101 . A 180 GLY N . 30656 1 905 . 1 1 181 181 LYS H H 1 7.824 0.006 . 1 . . 1070 . A 181 LYS H . 30656 1 906 . 1 1 181 181 LYS C C 13 176.872 . . 1 . . 1920 . A 181 LYS C . 30656 1 907 . 1 1 181 181 LYS CA C 13 54.775 . . 1 . . 1749 . A 181 LYS CA . 30656 1 908 . 1 1 181 181 LYS CB C 13 33.021 0.008 . 1 . . 1748 . A 181 LYS CB . 30656 1 909 . 1 1 181 181 LYS N N 15 120.684 0.034 . 1 . . 1071 . A 181 LYS N . 30656 1 910 . 1 1 182 182 GLU H H 1 9.194 0.01 . 1 . . 752 . A 182 GLU H . 30656 1 911 . 1 1 182 182 GLU C C 13 176.197 . . 1 . . 1902 . A 182 GLU C . 30656 1 912 . 1 1 182 182 GLU CA C 13 57.379 0.007 . 1 . . 1747 . A 182 GLU CA . 30656 1 913 . 1 1 182 182 GLU CB C 13 30.401 0.012 . 1 . . 1746 . A 182 GLU CB . 30656 1 914 . 1 1 182 182 GLU N N 15 130.326 0.043 . 1 . . 753 . A 182 GLU N . 30656 1 915 . 1 1 183 183 GLN H H 1 9.304 0.01 . 1 . . 744 . A 183 GLN H . 30656 1 916 . 1 1 183 183 GLN C C 13 176.418 . . 1 . . 1921 . A 183 GLN C . 30656 1 917 . 1 1 183 183 GLN CA C 13 54.362 0.038 . 1 . . 1744 . A 183 GLN CA . 30656 1 918 . 1 1 183 183 GLN CB C 13 31.092 . . 1 . . 1745 . A 183 GLN CB . 30656 1 919 . 1 1 183 183 GLN N N 15 123.998 0.027 . 1 . . 745 . A 183 GLN N . 30656 1 920 . 1 1 184 184 LEU H H 1 9.184 0.014 . 1 . . 901 . A 184 LEU H . 30656 1 921 . 1 1 184 184 LEU HD11 H 1 0.792 0.01 . 2 . . 1727 . A 184 LEU HD11 . 30656 1 922 . 1 1 184 184 LEU HD12 H 1 0.792 0.01 . 2 . . 1727 . A 184 LEU HD12 . 30656 1 923 . 1 1 184 184 LEU HD13 H 1 0.792 0.01 . 2 . . 1727 . A 184 LEU HD13 . 30656 1 924 . 1 1 184 184 LEU HD21 H 1 0.810 0.004 . 2 . . 1725 . A 184 LEU HD21 . 30656 1 925 . 1 1 184 184 LEU HD22 H 1 0.810 0.004 . 2 . . 1725 . A 184 LEU HD22 . 30656 1 926 . 1 1 184 184 LEU HD23 H 1 0.810 0.004 . 2 . . 1725 . A 184 LEU HD23 . 30656 1 927 . 1 1 184 184 LEU C C 13 176.751 . . 1 . . 1922 . A 184 LEU C . 30656 1 928 . 1 1 184 184 LEU CA C 13 55.605 0.06 . 1 . . 1478 . A 184 LEU CA . 30656 1 929 . 1 1 184 184 LEU CB C 13 41.385 0.091 . 1 . . 1619 . A 184 LEU CB . 30656 1 930 . 1 1 184 184 LEU CD1 C 13 22.778 0.026 . 2 . . 1726 . A 184 LEU CD1 . 30656 1 931 . 1 1 184 184 LEU CD2 C 13 23.119 0.002 . 2 . . 1728 . A 184 LEU CD2 . 30656 1 932 . 1 1 184 184 LEU N N 15 123.011 0.058 . 1 . . 902 . A 184 LEU N . 30656 1 933 . 1 1 185 185 LEU H H 1 8.251 0.008 . 1 . . 1476 . A 185 LEU H . 30656 1 934 . 1 1 185 185 LEU HD11 H 1 0.865 0.002 . 2 . . 1720 . A 185 LEU HD11 . 30656 1 935 . 1 1 185 185 LEU HD12 H 1 0.865 0.002 . 2 . . 1720 . A 185 LEU HD12 . 30656 1 936 . 1 1 185 185 LEU HD13 H 1 0.865 0.002 . 2 . . 1720 . A 185 LEU HD13 . 30656 1 937 . 1 1 185 185 LEU HD21 H 1 0.822 0.002 . 2 . . 1722 . A 185 LEU HD21 . 30656 1 938 . 1 1 185 185 LEU HD22 H 1 0.822 0.002 . 2 . . 1722 . A 185 LEU HD22 . 30656 1 939 . 1 1 185 185 LEU HD23 H 1 0.822 0.002 . 2 . . 1722 . A 185 LEU HD23 . 30656 1 940 . 1 1 185 185 LEU C C 13 176.861 . . 1 . . 1923 . A 185 LEU C . 30656 1 941 . 1 1 185 185 LEU CA C 13 54.966 0.04 . 1 . . 1474 . A 185 LEU CA . 30656 1 942 . 1 1 185 185 LEU CB C 13 42.360 0.014 . 1 . . 1475 . A 185 LEU CB . 30656 1 943 . 1 1 185 185 LEU CD1 C 13 24.772 0.032 . 2 . . 1721 . A 185 LEU CD1 . 30656 1 944 . 1 1 185 185 LEU CD2 C 13 23.268 0.035 . 2 . . 1723 . A 185 LEU CD2 . 30656 1 945 . 1 1 185 185 LEU N N 15 123.483 0.029 . 1 . . 1477 . A 185 LEU N . 30656 1 946 . 1 1 186 186 ARG H H 1 8.322 0.009 . 1 . . 1082 . A 186 ARG H . 30656 1 947 . 1 1 186 186 ARG C C 13 175.974 . . 1 . . 1924 . A 186 ARG C . 30656 1 948 . 1 1 186 186 ARG CA C 13 55.658 0.025 . 1 . . 1472 . A 186 ARG CA . 30656 1 949 . 1 1 186 186 ARG CB C 13 30.798 0.002 . 1 . . 1473 . A 186 ARG CB . 30656 1 950 . 1 1 186 186 ARG N N 15 122.071 0.026 . 1 . . 1083 . A 186 ARG N . 30656 1 951 . 1 1 187 187 LEU H H 1 8.416 0.008 . 1 . . 1114 . A 187 LEU H . 30656 1 952 . 1 1 187 187 LEU HD11 H 1 0.927 0.003 . 2 . . 1731 . A 187 LEU HD11 . 30656 1 953 . 1 1 187 187 LEU HD12 H 1 0.927 0.003 . 2 . . 1731 . A 187 LEU HD12 . 30656 1 954 . 1 1 187 187 LEU HD13 H 1 0.927 0.003 . 2 . . 1731 . A 187 LEU HD13 . 30656 1 955 . 1 1 187 187 LEU HD21 H 1 0.867 0.003 . 2 . . 1734 . A 187 LEU HD21 . 30656 1 956 . 1 1 187 187 LEU HD22 H 1 0.867 0.003 . 2 . . 1734 . A 187 LEU HD22 . 30656 1 957 . 1 1 187 187 LEU HD23 H 1 0.867 0.003 . 2 . . 1734 . A 187 LEU HD23 . 30656 1 958 . 1 1 187 187 LEU C C 13 176.970 0.012 . 1 . . 1733 . A 187 LEU C . 30656 1 959 . 1 1 187 187 LEU CA C 13 55.105 0.023 . 1 . . 1470 . A 187 LEU CA . 30656 1 960 . 1 1 187 187 LEU CB C 13 42.310 0.033 . 1 . . 1471 . A 187 LEU CB . 30656 1 961 . 1 1 187 187 LEU CD1 C 13 24.816 0.017 . 2 . . 1732 . A 187 LEU CD1 . 30656 1 962 . 1 1 187 187 LEU CD2 C 13 23.060 0.02 . 2 . . 1735 . A 187 LEU CD2 . 30656 1 963 . 1 1 187 187 LEU N N 15 123.836 0.026 . 1 . . 1115 . A 187 LEU N . 30656 1 964 . 1 1 188 188 ASP H H 1 8.373 0.009 . 1 . . 1164 . A 188 ASP H . 30656 1 965 . 1 1 188 188 ASP C C 13 175.694 . . 1 . . 1925 . A 188 ASP C . 30656 1 966 . 1 1 188 188 ASP CA C 13 54.098 0.035 . 1 . . 1469 . A 188 ASP CA . 30656 1 967 . 1 1 188 188 ASP CB C 13 41.486 0.008 . 1 . . 1232 . A 188 ASP CB . 30656 1 968 . 1 1 188 188 ASP N N 15 120.178 0.025 . 1 . . 1165 . A 188 ASP N . 30656 1 969 . 1 1 189 189 ASN H H 1 8.322 0.001 . 1 . . 73 . A 189 ASN H . 30656 1 970 . 1 1 189 189 ASN C C 13 174.154 . . 1 . . 1926 . A 189 ASN C . 30656 1 971 . 1 1 189 189 ASN CA C 13 53.440 0.005 . 1 . . 1467 . A 189 ASN CA . 30656 1 972 . 1 1 189 189 ASN CB C 13 39.306 0.001 . 1 . . 1468 . A 189 ASN CB . 30656 1 973 . 1 1 189 189 ASN N N 15 118.790 0.025 . 1 . . 74 . A 189 ASN N . 30656 1 974 . 1 1 190 190 LYS H H 1 7.868 0.008 . 1 . . 197 . A 190 LYS H . 30656 1 975 . 1 1 190 190 LYS CA C 13 57.760 . . 1 . . 1230 . A 190 LYS CA . 30656 1 976 . 1 1 190 190 LYS CB C 13 33.625 . . 1 . . 1231 . A 190 LYS CB . 30656 1 977 . 1 1 190 190 LYS N N 15 126.237 0.025 . 1 . . 198 . A 190 LYS N . 30656 1 stop_ save_