data_25462 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25462 _Entry.Title ; Backbone Chemical Shift Assignments for the Monomeric [R238A] Mutant of Non-Structural Protein 1 Effector Domain from Influenza B Virus ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2015-02-02 _Entry.Accession_date 2015-02-02 _Entry.Last_release_date 2015-02-02 _Entry.Original_release_date 2015-02-02 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Keith Hamilton . . . . 25462 2 James Aramini . M. . . 25462 3 Li-Chung Ma . . . . 25462 4 Robert Krug . M. . . 25462 5 Gaetano Montelione . T. . . 25462 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25462 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 408 25462 '15N chemical shifts' 136 25462 '1H chemical shifts' 136 25462 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2017-03-29 2015-02-02 update BMRB 'update entry citation' 25462 1 . . 2015-03-02 2015-02-02 original author 'original release' 25462 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 25463 'NS1B ED wild-type' 25462 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 25462 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI 10.1016/j.str.2016.07.001 _Citation.PubMed_ID 27545620 _Citation.Full_citation . _Citation.Title ; A Second RNA-Binding Site in the NS1 Protein of Influenza B Virus. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Structure _Citation.Journal_name_full 'Structure (London, England : 1993)' _Citation.Journal_volume 24 _Citation.Journal_issue 9 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1878-4186 _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 1562 _Citation.Page_last 1572 _Citation.Year 2016 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Li-Chung Ma L. C. . . 25462 1 2 Rongjin Guan R. . . . 25462 1 3 Keith Hamilton K. . . . 25462 1 4 James Aramini J. M. . . 25462 1 5 Lei Mao L. . . . 25462 1 6 Shanshan Wang S. . . . 25462 1 7 Robert Krug R. M. . . 25462 1 8 Gaetano Montelione G. T. . . 25462 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25462 _Assembly.ID 1 _Assembly.Name 'NS1B ED mutant monomer' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 '[R238A] NS1B ED' 1 $R238A_NS1B_ED A . yes native no no . . . 25462 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_R238A_NS1B_ED _Entity.Sf_category entity _Entity.Sf_framecode R238A_NS1B_ED _Entity.Entry_ID 25462 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name '[R238A] NS1B ED' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; HPIEVVLRDMNNKDARQKIK DEVNTQKEGKFRLTIKRDIR NVLSLRVLVNGTFLKHPNGD KSLSTLHRLNAYDQNGGLVA KLVATDDLTVEDEKDGHAIL NSLFERFDEGHSKPIRAAET AVGVLSQFGQEHRLSPEEGD N ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 'H141 to Asn282' _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 141 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID . yes UNP P03502 . NS1_INBLE . . . . . . . . . . . . . . 25462 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Evading host response to virus' 25462 1 'RNA binding' 25462 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 1 141 HIS . 25462 1 2 142 PRO . 25462 1 3 143 ILE . 25462 1 4 144 GLU . 25462 1 5 145 VAL . 25462 1 6 146 VAL . 25462 1 7 147 LEU . 25462 1 8 148 ARG . 25462 1 9 149 ASP . 25462 1 10 150 MET . 25462 1 11 151 ASN . 25462 1 12 152 ASN . 25462 1 13 153 LYS . 25462 1 14 154 ASP . 25462 1 15 155 ALA . 25462 1 16 156 ARG . 25462 1 17 157 GLN . 25462 1 18 158 LYS . 25462 1 19 159 ILE . 25462 1 20 160 LYS . 25462 1 21 161 ASP . 25462 1 22 162 GLU . 25462 1 23 163 VAL . 25462 1 24 164 ASN . 25462 1 25 165 THR . 25462 1 26 166 GLN . 25462 1 27 167 LYS . 25462 1 28 168 GLU . 25462 1 29 169 GLY . 25462 1 30 170 LYS . 25462 1 31 171 PHE . 25462 1 32 172 ARG . 25462 1 33 173 LEU . 25462 1 34 174 THR . 25462 1 35 175 ILE . 25462 1 36 176 LYS . 25462 1 37 177 ARG . 25462 1 38 178 ASP . 25462 1 39 179 ILE . 25462 1 40 180 ARG . 25462 1 41 181 ASN . 25462 1 42 182 VAL . 25462 1 43 183 LEU . 25462 1 44 184 SER . 25462 1 45 185 LEU . 25462 1 46 186 ARG . 25462 1 47 187 VAL . 25462 1 48 188 LEU . 25462 1 49 189 VAL . 25462 1 50 190 ASN . 25462 1 51 191 GLY . 25462 1 52 192 THR . 25462 1 53 193 PHE . 25462 1 54 194 LEU . 25462 1 55 195 LYS . 25462 1 56 196 HIS . 25462 1 57 197 PRO . 25462 1 58 198 ASN . 25462 1 59 199 GLY . 25462 1 60 200 ASP . 25462 1 61 201 LYS . 25462 1 62 202 SER . 25462 1 63 203 LEU . 25462 1 64 204 SER . 25462 1 65 205 THR . 25462 1 66 206 LEU . 25462 1 67 207 HIS . 25462 1 68 208 ARG . 25462 1 69 209 LEU . 25462 1 70 210 ASN . 25462 1 71 211 ALA . 25462 1 72 212 TYR . 25462 1 73 213 ASP . 25462 1 74 214 GLN . 25462 1 75 215 ASN . 25462 1 76 216 GLY . 25462 1 77 217 GLY . 25462 1 78 218 LEU . 25462 1 79 219 VAL . 25462 1 80 220 ALA . 25462 1 81 221 LYS . 25462 1 82 222 LEU . 25462 1 83 223 VAL . 25462 1 84 224 ALA . 25462 1 85 225 THR . 25462 1 86 226 ASP . 25462 1 87 227 ASP . 25462 1 88 228 LEU . 25462 1 89 229 THR . 25462 1 90 230 VAL . 25462 1 91 231 GLU . 25462 1 92 232 ASP . 25462 1 93 233 GLU . 25462 1 94 234 LYS . 25462 1 95 235 ASP . 25462 1 96 236 GLY . 25462 1 97 237 HIS . 25462 1 98 238 ALA . 25462 1 99 239 ILE . 25462 1 100 240 LEU . 25462 1 101 241 ASN . 25462 1 102 242 SER . 25462 1 103 243 LEU . 25462 1 104 244 PHE . 25462 1 105 245 GLU . 25462 1 106 246 ARG . 25462 1 107 247 PHE . 25462 1 108 248 ASP . 25462 1 109 249 GLU . 25462 1 110 250 GLY . 25462 1 111 251 HIS . 25462 1 112 252 SER . 25462 1 113 253 LYS . 25462 1 114 254 PRO . 25462 1 115 255 ILE . 25462 1 116 256 ARG . 25462 1 117 257 ALA . 25462 1 118 258 ALA . 25462 1 119 259 GLU . 25462 1 120 260 THR . 25462 1 121 261 ALA . 25462 1 122 262 VAL . 25462 1 123 263 GLY . 25462 1 124 264 VAL . 25462 1 125 265 LEU . 25462 1 126 266 SER . 25462 1 127 267 GLN . 25462 1 128 268 PHE . 25462 1 129 269 GLY . 25462 1 130 270 GLN . 25462 1 131 271 GLU . 25462 1 132 272 HIS . 25462 1 133 273 ARG . 25462 1 134 274 LEU . 25462 1 135 275 SER . 25462 1 136 276 PRO . 25462 1 137 277 GLU . 25462 1 138 278 GLU . 25462 1 139 279 GLY . 25462 1 140 280 ASP . 25462 1 141 281 ASN . 25462 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 . HIS 1 1 25462 1 . PRO 2 2 25462 1 . ILE 3 3 25462 1 . GLU 4 4 25462 1 . VAL 5 5 25462 1 . VAL 6 6 25462 1 . LEU 7 7 25462 1 . ARG 8 8 25462 1 . ASP 9 9 25462 1 . MET 10 10 25462 1 . ASN 11 11 25462 1 . ASN 12 12 25462 1 . LYS 13 13 25462 1 . ASP 14 14 25462 1 . ALA 15 15 25462 1 . ARG 16 16 25462 1 . GLN 17 17 25462 1 . LYS 18 18 25462 1 . ILE 19 19 25462 1 . LYS 20 20 25462 1 . ASP 21 21 25462 1 . GLU 22 22 25462 1 . VAL 23 23 25462 1 . ASN 24 24 25462 1 . THR 25 25 25462 1 . GLN 26 26 25462 1 . LYS 27 27 25462 1 . GLU 28 28 25462 1 . GLY 29 29 25462 1 . LYS 30 30 25462 1 . PHE 31 31 25462 1 . ARG 32 32 25462 1 . LEU 33 33 25462 1 . THR 34 34 25462 1 . ILE 35 35 25462 1 . LYS 36 36 25462 1 . ARG 37 37 25462 1 . ASP 38 38 25462 1 . ILE 39 39 25462 1 . ARG 40 40 25462 1 . ASN 41 41 25462 1 . VAL 42 42 25462 1 . LEU 43 43 25462 1 . SER 44 44 25462 1 . LEU 45 45 25462 1 . ARG 46 46 25462 1 . VAL 47 47 25462 1 . LEU 48 48 25462 1 . VAL 49 49 25462 1 . ASN 50 50 25462 1 . GLY 51 51 25462 1 . THR 52 52 25462 1 . PHE 53 53 25462 1 . LEU 54 54 25462 1 . LYS 55 55 25462 1 . HIS 56 56 25462 1 . PRO 57 57 25462 1 . ASN 58 58 25462 1 . GLY 59 59 25462 1 . ASP 60 60 25462 1 . LYS 61 61 25462 1 . SER 62 62 25462 1 . LEU 63 63 25462 1 . SER 64 64 25462 1 . THR 65 65 25462 1 . LEU 66 66 25462 1 . HIS 67 67 25462 1 . ARG 68 68 25462 1 . LEU 69 69 25462 1 . ASN 70 70 25462 1 . ALA 71 71 25462 1 . TYR 72 72 25462 1 . ASP 73 73 25462 1 . GLN 74 74 25462 1 . ASN 75 75 25462 1 . GLY 76 76 25462 1 . GLY 77 77 25462 1 . LEU 78 78 25462 1 . VAL 79 79 25462 1 . ALA 80 80 25462 1 . LYS 81 81 25462 1 . LEU 82 82 25462 1 . VAL 83 83 25462 1 . ALA 84 84 25462 1 . THR 85 85 25462 1 . ASP 86 86 25462 1 . ASP 87 87 25462 1 . LEU 88 88 25462 1 . THR 89 89 25462 1 . VAL 90 90 25462 1 . GLU 91 91 25462 1 . ASP 92 92 25462 1 . GLU 93 93 25462 1 . LYS 94 94 25462 1 . ASP 95 95 25462 1 . GLY 96 96 25462 1 . HIS 97 97 25462 1 . ALA 98 98 25462 1 . ILE 99 99 25462 1 . LEU 100 100 25462 1 . ASN 101 101 25462 1 . SER 102 102 25462 1 . LEU 103 103 25462 1 . PHE 104 104 25462 1 . GLU 105 105 25462 1 . ARG 106 106 25462 1 . PHE 107 107 25462 1 . ASP 108 108 25462 1 . GLU 109 109 25462 1 . GLY 110 110 25462 1 . HIS 111 111 25462 1 . SER 112 112 25462 1 . LYS 113 113 25462 1 . PRO 114 114 25462 1 . ILE 115 115 25462 1 . ARG 116 116 25462 1 . ALA 117 117 25462 1 . ALA 118 118 25462 1 . GLU 119 119 25462 1 . THR 120 120 25462 1 . ALA 121 121 25462 1 . VAL 122 122 25462 1 . GLY 123 123 25462 1 . VAL 124 124 25462 1 . LEU 125 125 25462 1 . SER 126 126 25462 1 . GLN 127 127 25462 1 . PHE 128 128 25462 1 . GLY 129 129 25462 1 . GLN 130 130 25462 1 . GLU 131 131 25462 1 . HIS 132 132 25462 1 . ARG 133 133 25462 1 . LEU 134 134 25462 1 . SER 135 135 25462 1 . PRO 136 136 25462 1 . GLU 137 137 25462 1 . GLU 138 138 25462 1 . GLY 139 139 25462 1 . ASP 140 140 25462 1 . ASN 141 141 25462 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 25462 _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 $R238A_NS1B_ED . 11520 virus . 'Influenza B virus' 'Influenza B virus' . . Viruses . 'Influenzavirus B' 'Influenza B virus' B/Lee/1940 . . . . . . . . . . NS . 25462 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 25462 _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 $R238A_NS1B_ED . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) . . . . . pSUMO . . . 25462 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 25462 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '[U-13C,15N]-[R238A] NS1B ED' _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 '[R238A] NS1B ED' '[U-100% 13C; U-100% 15N]' . . 1 $R238A_NS1B_ED . . 300 . . uM . . . . 25462 1 2 'ammonium acetate' 'natural abundance' . . . . . . 25 . . mM . . . . 25462 1 3 'sodium chloride' 'natural abundance' . . . . . . 450 . . mM . . . . 25462 1 4 'calcium chloride' 'natural abundance' . . . . . . 5 . . mM . . . . 25462 1 5 arginine 'natural abundance' . . . . . . 50 . . mM . . . . 25462 1 6 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 25462 1 7 H2O 'natural abundance' . . . . . . 90 . . % . . . . 25462 1 8 D2O 'natural abundance' . . . . . . 10 . . % . . . . 25462 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 25462 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.45 . M 25462 1 pH 5.5 . pH 25462 1 pressure 1 . atm 25462 1 temperature 298 . K 25462 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 25462 _Software.ID 1 _Software.Name TOPSPIN _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 25462 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data collection' 25462 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 25462 _Software.ID 2 _Software.Name NMRPipe _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 25462 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data processing' 25462 2 stop_ save_ save_PINE _Software.Sf_category software _Software.Sf_framecode PINE _Software.Entry_ID 25462 _Software.ID 3 _Software.Name PINE _Software.Version 1.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bahrami, Markley, Assadi, and Eghbalnia' . . 25462 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 25462 3 stop_ save_ save_AutoAssign _Software.Sf_category software _Software.Sf_framecode AutoAssign _Software.Entry_ID 25462 _Software.ID 4 _Software.Name AutoAssign _Software.Version 2.4.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Zimmerman, Moseley, Kulikowski and Montelione' . . 25462 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 25462 4 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 25462 _Software.ID 5 _Software.Name AVS _Software.Version 2.4.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Moseley and Montelione' . . 25462 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift validation' 25462 5 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 25462 _Software.ID 6 _Software.Name SPARKY _Software.Version 3 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 25462 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 25462 6 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 25462 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details ; 5-mm TXI CRP 3-mm Shigemi tube ; _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 25462 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 800 ; 5-mm TXI CRP 3-mm Shigemi tube ; . . 25462 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 25462 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25462 1 2 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25462 1 3 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25462 1 4 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25462 1 5 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25462 1 6 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25462 1 7 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25462 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 25462 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0 internal indirect 0.251449530 . . . . . 25462 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.0 . . . . . 25462 1 N 15 DSS 'methyl protons' . . . . ppm 0 internal indirect 0.101329118 . . . . . 25462 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 25462 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err 0.2 _Assigned_chem_shift_list.Chem_shift_15N_err 0.2 _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 25462 1 2 '3D HNCO' . . . 25462 1 3 '3D HN(CA)CO' . . . 25462 1 4 '3D HN(CO)CA' . . . 25462 1 5 '3D HNCA' . . . 25462 1 6 '3D CBCA(CO)NH' . . . 25462 1 7 '3D HNCACB' . . . 25462 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 6 $SPARKY . . 25462 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 PRO C C 13 175.947 0.20 . 1 . . . . 142 Pro C . 25462 1 2 . 1 1 2 2 PRO CA C 13 63.030 0.20 . 1 . . . . 142 Pro CA . 25462 1 3 . 1 1 2 2 PRO CB C 13 32.267 0.20 . 1 . . . . 142 Pro CB . 25462 1 4 . 1 1 3 3 ILE H H 1 8.342 0.02 . 1 . . . . 143 Ile H . 25462 1 5 . 1 1 3 3 ILE C C 13 174.633 0.20 . 1 . . . . 143 Ile C . 25462 1 6 . 1 1 3 3 ILE CA C 13 60.599 0.20 . 1 . . . . 143 Ile CA . 25462 1 7 . 1 1 3 3 ILE CB C 13 39.848 0.20 . 1 . . . . 143 Ile CB . 25462 1 8 . 1 1 3 3 ILE N N 15 120.175 0.20 . 1 . . . . 143 Ile N . 25462 1 9 . 1 1 4 4 GLU H H 1 8.423 0.02 . 1 . . . . 144 Glu H . 25462 1 10 . 1 1 4 4 GLU C C 13 176.618 0.20 . 1 . . . . 144 Glu C . 25462 1 11 . 1 1 4 4 GLU CA C 13 55.371 0.20 . 1 . . . . 144 Glu CA . 25462 1 12 . 1 1 4 4 GLU CB C 13 31.444 0.20 . 1 . . . . 144 Glu CB . 25462 1 13 . 1 1 4 4 GLU N N 15 124.440 0.20 . 1 . . . . 144 Glu N . 25462 1 14 . 1 1 5 5 VAL H H 1 9.424 0.02 . 1 . . . . 145 Val H . 25462 1 15 . 1 1 5 5 VAL C C 13 173.734 0.20 . 1 . . . . 145 Val C . 25462 1 16 . 1 1 5 5 VAL CA C 13 59.911 0.20 . 1 . . . . 145 Val CA . 25462 1 17 . 1 1 5 5 VAL CB C 13 35.352 0.20 . 1 . . . . 145 Val CB . 25462 1 18 . 1 1 5 5 VAL N N 15 120.568 0.20 . 1 . . . . 145 Val N . 25462 1 19 . 1 1 6 6 VAL H H 1 8.765 0.02 . 1 . . . . 146 Val H . 25462 1 20 . 1 1 6 6 VAL C C 13 175.478 0.20 . 1 . . . . 146 Val C . 25462 1 21 . 1 1 6 6 VAL CA C 13 62.511 0.20 . 1 . . . . 146 Val CA . 25462 1 22 . 1 1 6 6 VAL CB C 13 31.978 0.20 . 1 . . . . 146 Val CB . 25462 1 23 . 1 1 6 6 VAL N N 15 127.133 0.20 . 1 . . . . 146 Val N . 25462 1 24 . 1 1 7 7 LEU H H 1 8.996 0.02 . 1 . . . . 147 Leu H . 25462 1 25 . 1 1 7 7 LEU C C 13 174.968 0.20 . 1 . . . . 147 Leu C . 25462 1 26 . 1 1 7 7 LEU CA C 13 54.196 0.20 . 1 . . . . 147 Leu CA . 25462 1 27 . 1 1 7 7 LEU CB C 13 44.145 0.20 . 1 . . . . 147 Leu CB . 25462 1 28 . 1 1 7 7 LEU N N 15 129.801 0.20 . 1 . . . . 147 Leu N . 25462 1 29 . 1 1 8 8 ARG H H 1 8.450 0.02 . 1 . . . . 148 Arg H . 25462 1 30 . 1 1 8 8 ARG C C 13 176.050 0.20 . 1 . . . . 148 Arg C . 25462 1 31 . 1 1 8 8 ARG CA C 13 55.132 0.20 . 1 . . . . 148 Arg CA . 25462 1 32 . 1 1 8 8 ARG CB C 13 33.829 0.20 . 1 . . . . 148 Arg CB . 25462 1 33 . 1 1 8 8 ARG N N 15 119.240 0.20 . 1 . . . . 148 Arg N . 25462 1 34 . 1 1 9 9 ASP H H 1 8.808 0.02 . 1 . . . . 149 Asp H . 25462 1 35 . 1 1 9 9 ASP C C 13 176.369 0.20 . 1 . . . . 149 Asp C . 25462 1 36 . 1 1 9 9 ASP CA C 13 55.169 0.20 . 1 . . . . 149 Asp CA . 25462 1 37 . 1 1 9 9 ASP CB C 13 44.492 0.20 . 1 . . . . 149 Asp CB . 25462 1 38 . 1 1 9 9 ASP N N 15 122.518 0.20 . 1 . . . . 149 Asp N . 25462 1 39 . 1 1 10 10 MET H H 1 9.292 0.02 . 1 . . . . 150 Met H . 25462 1 40 . 1 1 10 10 MET C C 13 176.359 0.20 . 1 . . . . 150 Met C . 25462 1 41 . 1 1 10 10 MET CA C 13 54.414 0.20 . 1 . . . . 150 Met CA . 25462 1 42 . 1 1 10 10 MET CB C 13 37.651 0.20 . 1 . . . . 150 Met CB . 25462 1 43 . 1 1 10 10 MET N N 15 118.657 0.20 . 1 . . . . 150 Met N . 25462 1 44 . 1 1 11 11 ASN H H 1 9.114 0.02 . 1 . . . . 151 Asn H . 25462 1 45 . 1 1 11 11 ASN C C 13 174.921 0.20 . 1 . . . . 151 Asn C . 25462 1 46 . 1 1 11 11 ASN CA C 13 52.336 0.20 . 1 . . . . 151 Asn CA . 25462 1 47 . 1 1 11 11 ASN CB C 13 38.211 0.20 . 1 . . . . 151 Asn CB . 25462 1 48 . 1 1 11 11 ASN N N 15 120.303 0.20 . 1 . . . . 151 Asn N . 25462 1 49 . 1 1 12 12 ASN H H 1 8.472 0.02 . 1 . . . . 152 Asn H . 25462 1 50 . 1 1 12 12 ASN C C 13 177.007 0.20 . 1 . . . . 152 Asn C . 25462 1 51 . 1 1 12 12 ASN CA C 13 56.302 0.20 . 1 . . . . 152 Asn CA . 25462 1 52 . 1 1 12 12 ASN CB C 13 38.209 0.20 . 1 . . . . 152 Asn CB . 25462 1 53 . 1 1 12 12 ASN N N 15 116.631 0.20 . 1 . . . . 152 Asn N . 25462 1 54 . 1 1 13 13 LYS H H 1 8.042 0.02 . 1 . . . . 153 Lys H . 25462 1 55 . 1 1 13 13 LYS C C 13 179.695 0.20 . 1 . . . . 153 Lys C . 25462 1 56 . 1 1 13 13 LYS CA C 13 59.489 0.20 . 1 . . . . 153 Lys CA . 25462 1 57 . 1 1 13 13 LYS CB C 13 31.636 0.20 . 1 . . . . 153 Lys CB . 25462 1 58 . 1 1 13 13 LYS N N 15 120.213 0.20 . 1 . . . . 153 Lys N . 25462 1 59 . 1 1 14 14 ASP H H 1 8.546 0.02 . 1 . . . . 154 Asp H . 25462 1 60 . 1 1 14 14 ASP C C 13 178.891 0.20 . 1 . . . . 154 Asp C . 25462 1 61 . 1 1 14 14 ASP CA C 13 57.053 0.20 . 1 . . . . 154 Asp CA . 25462 1 62 . 1 1 14 14 ASP CB C 13 39.750 0.20 . 1 . . . . 154 Asp CB . 25462 1 63 . 1 1 14 14 ASP N N 15 121.557 0.20 . 1 . . . . 154 Asp N . 25462 1 64 . 1 1 15 15 ALA H H 1 7.940 0.02 . 1 . . . . 155 Ala H . 25462 1 65 . 1 1 15 15 ALA C C 13 176.836 0.20 . 1 . . . . 155 Ala C . 25462 1 66 . 1 1 15 15 ALA CA C 13 54.235 0.20 . 1 . . . . 155 Ala CA . 25462 1 67 . 1 1 15 15 ALA CB C 13 18.567 0.20 . 1 . . . . 155 Ala CB . 25462 1 68 . 1 1 15 15 ALA N N 15 119.971 0.20 . 1 . . . . 155 Ala N . 25462 1 69 . 1 1 16 16 ARG H H 1 7.227 0.02 . 1 . . . . 156 Arg H . 25462 1 70 . 1 1 16 16 ARG C C 13 177.009 0.20 . 1 . . . . 156 Arg C . 25462 1 71 . 1 1 16 16 ARG CA C 13 55.169 0.20 . 1 . . . . 156 Arg CA . 25462 1 72 . 1 1 16 16 ARG CB C 13 30.400 0.20 . 1 . . . . 156 Arg CB . 25462 1 73 . 1 1 16 16 ARG N N 15 112.820 0.20 . 1 . . . . 156 Arg N . 25462 1 74 . 1 1 17 17 GLN H H 1 7.256 0.02 . 1 . . . . 157 Gln H . 25462 1 75 . 1 1 17 17 GLN C C 13 175.144 0.20 . 1 . . . . 157 Gln C . 25462 1 76 . 1 1 17 17 GLN CA C 13 57.545 0.20 . 1 . . . . 157 Gln CA . 25462 1 77 . 1 1 17 17 GLN CB C 13 29.871 0.20 . 1 . . . . 157 Gln CB . 25462 1 78 . 1 1 17 17 GLN N N 15 122.455 0.20 . 1 . . . . 157 Gln N . 25462 1 79 . 1 1 18 18 LYS H H 1 8.472 0.02 . 1 . . . . 158 Lys H . 25462 1 80 . 1 1 18 18 LYS C C 13 176.062 0.20 . 1 . . . . 158 Lys C . 25462 1 81 . 1 1 18 18 LYS CA C 13 55.012 0.20 . 1 . . . . 158 Lys CA . 25462 1 82 . 1 1 18 18 LYS CB C 13 34.574 0.20 . 1 . . . . 158 Lys CB . 25462 1 83 . 1 1 18 18 LYS N N 15 123.446 0.20 . 1 . . . . 158 Lys N . 25462 1 84 . 1 1 19 19 ILE H H 1 8.631 0.02 . 1 . . . . 159 Ile H . 25462 1 85 . 1 1 19 19 ILE C C 13 176.072 0.20 . 1 . . . . 159 Ile C . 25462 1 86 . 1 1 19 19 ILE CA C 13 62.253 0.20 . 1 . . . . 159 Ile CA . 25462 1 87 . 1 1 19 19 ILE CB C 13 38.515 0.20 . 1 . . . . 159 Ile CB . 25462 1 88 . 1 1 19 19 ILE N N 15 123.456 0.20 . 1 . . . . 159 Ile N . 25462 1 89 . 1 1 20 20 LYS H H 1 8.633 0.02 . 1 . . . . 160 Lys H . 25462 1 90 . 1 1 20 20 LYS C C 13 175.587 0.20 . 1 . . . . 160 Lys C . 25462 1 91 . 1 1 20 20 LYS CA C 13 56.598 0.20 . 1 . . . . 160 Lys CA . 25462 1 92 . 1 1 20 20 LYS CB C 13 32.739 0.20 . 1 . . . . 160 Lys CB . 25462 1 93 . 1 1 20 20 LYS N N 15 128.461 0.20 . 1 . . . . 160 Lys N . 25462 1 94 . 1 1 21 21 ASP H H 1 7.609 0.02 . 1 . . . . 161 Asp H . 25462 1 95 . 1 1 21 21 ASP C C 13 174.409 0.20 . 1 . . . . 161 Asp C . 25462 1 96 . 1 1 21 21 ASP CA C 13 54.059 0.20 . 1 . . . . 161 Asp CA . 25462 1 97 . 1 1 21 21 ASP CB C 13 42.657 0.20 . 1 . . . . 161 Asp CB . 25462 1 98 . 1 1 21 21 ASP N N 15 117.189 0.20 . 1 . . . . 161 Asp N . 25462 1 99 . 1 1 22 22 GLU H H 1 8.586 0.02 . 1 . . . . 162 Glu H . 25462 1 100 . 1 1 22 22 GLU C C 13 177.739 0.20 . 1 . . . . 162 Glu C . 25462 1 101 . 1 1 22 22 GLU CA C 13 57.872 0.20 . 1 . . . . 162 Glu CA . 25462 1 102 . 1 1 22 22 GLU CB C 13 29.689 0.20 . 1 . . . . 162 Glu CB . 25462 1 103 . 1 1 22 22 GLU N N 15 117.779 0.20 . 1 . . . . 162 Glu N . 25462 1 104 . 1 1 23 23 VAL H H 1 8.533 0.02 . 1 . . . . 163 Val H . 25462 1 105 . 1 1 23 23 VAL C C 13 175.779 0.20 . 1 . . . . 163 Val C . 25462 1 106 . 1 1 23 23 VAL CA C 13 59.482 0.20 . 1 . . . . 163 Val CA . 25462 1 107 . 1 1 23 23 VAL CB C 13 36.529 0.20 . 1 . . . . 163 Val CB . 25462 1 108 . 1 1 23 23 VAL N N 15 114.283 0.20 . 1 . . . . 163 Val N . 25462 1 109 . 1 1 24 24 ASN H H 1 9.118 0.02 . 1 . . . . 164 Asn H . 25462 1 110 . 1 1 24 24 ASN C C 13 174.376 0.20 . 1 . . . . 164 Asn C . 25462 1 111 . 1 1 24 24 ASN CA C 13 52.187 0.20 . 1 . . . . 164 Asn CA . 25462 1 112 . 1 1 24 24 ASN CB C 13 42.458 0.20 . 1 . . . . 164 Asn CB . 25462 1 113 . 1 1 24 24 ASN N N 15 118.213 0.20 . 1 . . . . 164 Asn N . 25462 1 114 . 1 1 25 25 THR H H 1 8.574 0.02 . 1 . . . . 165 Thr H . 25462 1 115 . 1 1 25 25 THR C C 13 173.829 0.20 . 1 . . . . 165 Thr C . 25462 1 116 . 1 1 25 25 THR CA C 13 60.307 0.20 . 1 . . . . 165 Thr CA . 25462 1 117 . 1 1 25 25 THR CB C 13 72.049 0.20 . 1 . . . . 165 Thr CB . 25462 1 118 . 1 1 25 25 THR N N 15 113.041 0.20 . 1 . . . . 165 Thr N . 25462 1 119 . 1 1 26 26 GLN H H 1 8.999 0.02 . 1 . . . . 166 Gln H . 25462 1 120 . 1 1 26 26 GLN C C 13 173.161 0.20 . 1 . . . . 166 Gln C . 25462 1 121 . 1 1 26 26 GLN CA C 13 55.192 0.20 . 1 . . . . 166 Gln CA . 25462 1 122 . 1 1 26 26 GLN CB C 13 32.862 0.20 . 1 . . . . 166 Gln CB . 25462 1 123 . 1 1 26 26 GLN N N 15 122.879 0.20 . 1 . . . . 166 Gln N . 25462 1 124 . 1 1 27 27 LYS H H 1 8.875 0.02 . 1 . . . . 167 Lys H . 25462 1 125 . 1 1 27 27 LYS C C 13 175.661 0.20 . 1 . . . . 167 Lys C . 25462 1 126 . 1 1 27 27 LYS CA C 13 54.630 0.20 . 1 . . . . 167 Lys CA . 25462 1 127 . 1 1 27 27 LYS CB C 13 35.542 0.20 . 1 . . . . 167 Lys CB . 25462 1 128 . 1 1 27 27 LYS N N 15 125.441 0.20 . 1 . . . . 167 Lys N . 25462 1 129 . 1 1 28 28 GLU H H 1 8.106 0.02 . 1 . . . . 168 Glu H . 25462 1 130 . 1 1 28 28 GLU C C 13 175.467 0.20 . 1 . . . . 168 Glu C . 25462 1 131 . 1 1 28 28 GLU CA C 13 55.572 0.20 . 1 . . . . 168 Glu CA . 25462 1 132 . 1 1 28 28 GLU CB C 13 31.390 0.20 . 1 . . . . 168 Glu CB . 25462 1 133 . 1 1 28 28 GLU N N 15 123.666 0.20 . 1 . . . . 168 Glu N . 25462 1 134 . 1 1 29 29 GLY H H 1 8.971 0.02 . 1 . . . . 169 Gly H . 25462 1 135 . 1 1 29 29 GLY C C 13 176.072 0.20 . 1 . . . . 169 Gly C . 25462 1 136 . 1 1 29 29 GLY CA C 13 47.007 0.20 . 1 . . . . 169 Gly CA . 25462 1 137 . 1 1 29 29 GLY N N 15 116.478 0.20 . 1 . . . . 169 Gly N . 25462 1 138 . 1 1 30 30 LYS H H 1 9.588 0.02 . 1 . . . . 170 Lys H . 25462 1 139 . 1 1 30 30 LYS C C 13 176.069 0.20 . 1 . . . . 170 Lys C . 25462 1 140 . 1 1 30 30 LYS CA C 13 57.844 0.20 . 1 . . . . 170 Lys CA . 25462 1 141 . 1 1 30 30 LYS CB C 13 34.990 0.20 . 1 . . . . 170 Lys CB . 25462 1 142 . 1 1 30 30 LYS N N 15 127.923 0.20 . 1 . . . . 170 Lys N . 25462 1 143 . 1 1 31 31 PHE H H 1 8.510 0.02 . 1 . . . . 171 Phe H . 25462 1 144 . 1 1 31 31 PHE C C 13 176.748 0.20 . 1 . . . . 171 Phe C . 25462 1 145 . 1 1 31 31 PHE CA C 13 59.050 0.20 . 1 . . . . 171 Phe CA . 25462 1 146 . 1 1 31 31 PHE CB C 13 41.387 0.20 . 1 . . . . 171 Phe CB . 25462 1 147 . 1 1 31 31 PHE N N 15 115.354 0.20 . 1 . . . . 171 Phe N . 25462 1 148 . 1 1 32 32 ARG H H 1 8.929 0.02 . 1 . . . . 172 Arg H . 25462 1 149 . 1 1 32 32 ARG C C 13 174.464 0.20 . 1 . . . . 172 Arg C . 25462 1 150 . 1 1 32 32 ARG CA C 13 55.057 0.20 . 1 . . . . 172 Arg CA . 25462 1 151 . 1 1 32 32 ARG CB C 13 31.678 0.20 . 1 . . . . 172 Arg CB . 25462 1 152 . 1 1 32 32 ARG N N 15 121.002 0.20 . 1 . . . . 172 Arg N . 25462 1 153 . 1 1 33 33 LEU H H 1 9.368 0.02 . 1 . . . . 173 Leu H . 25462 1 154 . 1 1 33 33 LEU C C 13 174.650 0.20 . 1 . . . . 173 Leu C . 25462 1 155 . 1 1 33 33 LEU CA C 13 53.635 0.20 . 1 . . . . 173 Leu CA . 25462 1 156 . 1 1 33 33 LEU CB C 13 45.674 0.20 . 1 . . . . 173 Leu CB . 25462 1 157 . 1 1 33 33 LEU N N 15 130.655 0.20 . 1 . . . . 173 Leu N . 25462 1 158 . 1 1 34 34 THR H H 1 9.272 0.02 . 1 . . . . 174 Thr H . 25462 1 159 . 1 1 34 34 THR C C 13 172.674 0.20 . 1 . . . . 174 Thr C . 25462 1 160 . 1 1 34 34 THR CA C 13 62.435 0.20 . 1 . . . . 174 Thr CA . 25462 1 161 . 1 1 34 34 THR CB C 13 70.429 0.20 . 1 . . . . 174 Thr CB . 25462 1 162 . 1 1 34 34 THR N N 15 124.546 0.20 . 1 . . . . 174 Thr N . 25462 1 163 . 1 1 35 35 ILE H H 1 9.065 0.02 . 1 . . . . 175 Ile H . 25462 1 164 . 1 1 35 35 ILE C C 13 173.639 0.20 . 1 . . . . 175 Ile C . 25462 1 165 . 1 1 35 35 ILE CA C 13 58.969 0.20 . 1 . . . . 175 Ile CA . 25462 1 166 . 1 1 35 35 ILE CB C 13 42.583 0.20 . 1 . . . . 175 Ile CB . 25462 1 167 . 1 1 35 35 ILE N N 15 123.628 0.20 . 1 . . . . 175 Ile N . 25462 1 168 . 1 1 36 36 LYS H H 1 8.512 0.02 . 1 . . . . 176 Lys H . 25462 1 169 . 1 1 36 36 LYS C C 13 176.537 0.20 . 1 . . . . 176 Lys C . 25462 1 170 . 1 1 36 36 LYS CA C 13 58.459 0.20 . 1 . . . . 176 Lys CA . 25462 1 171 . 1 1 36 36 LYS CB C 13 33.764 0.20 . 1 . . . . 176 Lys CB . 25462 1 172 . 1 1 36 36 LYS N N 15 126.360 0.20 . 1 . . . . 176 Lys N . 25462 1 173 . 1 1 37 37 ARG H H 1 8.425 0.02 . 1 . . . . 177 Arg H . 25462 1 174 . 1 1 37 37 ARG C C 13 176.866 0.20 . 1 . . . . 177 Arg C . 25462 1 175 . 1 1 37 37 ARG CA C 13 59.784 0.20 . 1 . . . . 177 Arg CA . 25462 1 176 . 1 1 37 37 ARG CB C 13 29.772 0.20 . 1 . . . . 177 Arg CB . 25462 1 177 . 1 1 37 37 ARG N N 15 124.016 0.20 . 1 . . . . 177 Arg N . 25462 1 178 . 1 1 38 38 ASP H H 1 8.396 0.02 . 1 . . . . 178 Asp H . 25462 1 179 . 1 1 38 38 ASP C C 13 176.553 0.20 . 1 . . . . 178 Asp C . 25462 1 180 . 1 1 38 38 ASP CA C 13 53.093 0.20 . 1 . . . . 178 Asp CA . 25462 1 181 . 1 1 38 38 ASP CB C 13 39.809 0.20 . 1 . . . . 178 Asp CB . 25462 1 182 . 1 1 38 38 ASP N N 15 117.121 0.20 . 1 . . . . 178 Asp N . 25462 1 183 . 1 1 39 39 ILE H H 1 7.749 0.02 . 1 . . . . 179 Ile H . 25462 1 184 . 1 1 39 39 ILE C C 13 176.069 0.20 . 1 . . . . 179 Ile C . 25462 1 185 . 1 1 39 39 ILE CA C 13 62.227 0.20 . 1 . . . . 179 Ile CA . 25462 1 186 . 1 1 39 39 ILE CB C 13 38.346 0.20 . 1 . . . . 179 Ile CB . 25462 1 187 . 1 1 39 39 ILE N N 15 119.175 0.20 . 1 . . . . 179 Ile N . 25462 1 188 . 1 1 40 40 ARG H H 1 8.293 0.02 . 1 . . . . 180 Arg H . 25462 1 189 . 1 1 40 40 ARG C C 13 176.664 0.20 . 1 . . . . 180 Arg C . 25462 1 190 . 1 1 40 40 ARG CA C 13 58.128 0.20 . 1 . . . . 180 Arg CA . 25462 1 191 . 1 1 40 40 ARG CB C 13 29.520 0.20 . 1 . . . . 180 Arg CB . 25462 1 192 . 1 1 40 40 ARG N N 15 122.041 0.20 . 1 . . . . 180 Arg N . 25462 1 193 . 1 1 41 41 ASN H H 1 8.199 0.02 . 1 . . . . 181 Asn H . 25462 1 194 . 1 1 41 41 ASN C C 13 175.992 0.20 . 1 . . . . 181 Asn C . 25462 1 195 . 1 1 41 41 ASN CA C 13 53.084 0.20 . 1 . . . . 181 Asn CA . 25462 1 196 . 1 1 41 41 ASN CB C 13 38.532 0.20 . 1 . . . . 181 Asn CB . 25462 1 197 . 1 1 41 41 ASN N N 15 113.846 0.20 . 1 . . . . 181 Asn N . 25462 1 198 . 1 1 42 42 VAL H H 1 7.821 0.02 . 1 . . . . 182 Val H . 25462 1 199 . 1 1 42 42 VAL C C 13 175.781 0.20 . 1 . . . . 182 Val C . 25462 1 200 . 1 1 42 42 VAL CA C 13 63.893 0.20 . 1 . . . . 182 Val CA . 25462 1 201 . 1 1 42 42 VAL CB C 13 31.318 0.20 . 1 . . . . 182 Val CB . 25462 1 202 . 1 1 42 42 VAL N N 15 121.967 0.20 . 1 . . . . 182 Val N . 25462 1 203 . 1 1 43 43 LEU H H 1 8.701 0.02 . 1 . . . . 183 Leu H . 25462 1 204 . 1 1 43 43 LEU C C 13 176.634 0.20 . 1 . . . . 183 Leu C . 25462 1 205 . 1 1 43 43 LEU CA C 13 56.554 0.20 . 1 . . . . 183 Leu CA . 25462 1 206 . 1 1 43 43 LEU CB C 13 43.018 0.20 . 1 . . . . 183 Leu CB . 25462 1 207 . 1 1 43 43 LEU N N 15 125.893 0.20 . 1 . . . . 183 Leu N . 25462 1 208 . 1 1 44 44 SER H H 1 7.742 0.02 . 1 . . . . 184 Ser H . 25462 1 209 . 1 1 44 44 SER C C 13 170.937 0.20 . 1 . . . . 184 Ser C . 25462 1 210 . 1 1 44 44 SER CA C 13 57.180 0.20 . 1 . . . . 184 Ser CA . 25462 1 211 . 1 1 44 44 SER CB C 13 65.159 0.20 . 1 . . . . 184 Ser CB . 25462 1 212 . 1 1 44 44 SER N N 15 110.387 0.20 . 1 . . . . 184 Ser N . 25462 1 213 . 1 1 45 45 LEU H H 1 8.095 0.02 . 1 . . . . 185 Leu H . 25462 1 214 . 1 1 45 45 LEU C C 13 176.656 0.20 . 1 . . . . 185 Leu C . 25462 1 215 . 1 1 45 45 LEU CA C 13 52.861 0.20 . 1 . . . . 185 Leu CA . 25462 1 216 . 1 1 45 45 LEU CB C 13 48.010 0.20 . 1 . . . . 185 Leu CB . 25462 1 217 . 1 1 45 45 LEU N N 15 117.042 0.20 . 1 . . . . 185 Leu N . 25462 1 218 . 1 1 46 46 ARG H H 1 8.944 0.02 . 1 . . . . 186 Arg H . 25462 1 219 . 1 1 46 46 ARG C C 13 175.593 0.20 . 1 . . . . 186 Arg C . 25462 1 220 . 1 1 46 46 ARG CA C 13 54.984 0.20 . 1 . . . . 186 Arg CA . 25462 1 221 . 1 1 46 46 ARG CB C 13 32.345 0.20 . 1 . . . . 186 Arg CB . 25462 1 222 . 1 1 46 46 ARG N N 15 124.905 0.20 . 1 . . . . 186 Arg N . 25462 1 223 . 1 1 47 47 VAL H H 1 9.074 0.02 . 1 . . . . 187 Val H . 25462 1 224 . 1 1 47 47 VAL C C 13 173.210 0.20 . 1 . . . . 187 Val C . 25462 1 225 . 1 1 47 47 VAL CA C 13 62.146 0.20 . 1 . . . . 187 Val CA . 25462 1 226 . 1 1 47 47 VAL CB C 13 32.813 0.20 . 1 . . . . 187 Val CB . 25462 1 227 . 1 1 47 47 VAL N N 15 126.312 0.20 . 1 . . . . 187 Val N . 25462 1 228 . 1 1 48 48 LEU H H 1 9.064 0.02 . 1 . . . . 188 Leu H . 25462 1 229 . 1 1 48 48 LEU C C 13 175.937 0.20 . 1 . . . . 188 Leu C . 25462 1 230 . 1 1 48 48 LEU CA C 13 55.515 0.20 . 1 . . . . 188 Leu CA . 25462 1 231 . 1 1 48 48 LEU CB C 13 46.204 0.20 . 1 . . . . 188 Leu CB . 25462 1 232 . 1 1 48 48 LEU N N 15 127.124 0.20 . 1 . . . . 188 Leu N . 25462 1 233 . 1 1 49 49 VAL H H 1 10.368 0.02 . 1 . . . . 189 Val H . 25462 1 234 . 1 1 49 49 VAL C C 13 173.125 0.20 . 1 . . . . 189 Val C . 25462 1 235 . 1 1 49 49 VAL CA C 13 61.218 0.20 . 1 . . . . 189 Val CA . 25462 1 236 . 1 1 49 49 VAL CB C 13 37.519 0.20 . 1 . . . . 189 Val CB . 25462 1 237 . 1 1 49 49 VAL N N 15 122.419 0.20 . 1 . . . . 189 Val N . 25462 1 238 . 1 1 50 50 ASN H H 1 8.492 0.02 . 1 . . . . 190 Asn H . 25462 1 239 . 1 1 50 50 ASN C C 13 175.751 0.20 . 1 . . . . 190 Asn C . 25462 1 240 . 1 1 50 50 ASN CA C 13 51.070 0.20 . 1 . . . . 190 Asn CA . 25462 1 241 . 1 1 50 50 ASN CB C 13 39.841 0.20 . 1 . . . . 190 Asn CB . 25462 1 242 . 1 1 50 50 ASN N N 15 122.739 0.20 . 1 . . . . 190 Asn N . 25462 1 243 . 1 1 51 51 GLY H H 1 9.312 0.02 . 1 . . . . 191 Gly H . 25462 1 244 . 1 1 51 51 GLY C C 13 169.567 0.20 . 1 . . . . 191 Gly C . 25462 1 245 . 1 1 51 51 GLY CA C 13 45.851 0.20 . 1 . . . . 191 Gly CA . 25462 1 246 . 1 1 51 51 GLY N N 15 110.368 0.20 . 1 . . . . 191 Gly N . 25462 1 247 . 1 1 52 52 THR H H 1 9.038 0.02 . 1 . . . . 192 Thr H . 25462 1 248 . 1 1 52 52 THR C C 13 173.639 0.20 . 1 . . . . 192 Thr C . 25462 1 249 . 1 1 52 52 THR CA C 13 62.280 0.20 . 1 . . . . 192 Thr CA . 25462 1 250 . 1 1 52 52 THR CB C 13 69.738 0.20 . 1 . . . . 192 Thr CB . 25462 1 251 . 1 1 52 52 THR N N 15 116.780 0.20 . 1 . . . . 192 Thr N . 25462 1 252 . 1 1 53 53 PHE H H 1 9.893 0.02 . 1 . . . . 193 Phe H . 25462 1 253 . 1 1 53 53 PHE C C 13 174.019 0.20 . 1 . . . . 193 Phe C . 25462 1 254 . 1 1 53 53 PHE CA C 13 56.297 0.20 . 1 . . . . 193 Phe CA . 25462 1 255 . 1 1 53 53 PHE CB C 13 42.175 0.20 . 1 . . . . 193 Phe CB . 25462 1 256 . 1 1 53 53 PHE N N 15 126.252 0.20 . 1 . . . . 193 Phe N . 25462 1 257 . 1 1 54 54 LEU H H 1 9.125 0.02 . 1 . . . . 194 Leu H . 25462 1 258 . 1 1 54 54 LEU C C 13 176.048 0.20 . 1 . . . . 194 Leu C . 25462 1 259 . 1 1 54 54 LEU CA C 13 53.756 0.20 . 1 . . . . 194 Leu CA . 25462 1 260 . 1 1 54 54 LEU CB C 13 42.899 0.20 . 1 . . . . 194 Leu CB . 25462 1 261 . 1 1 54 54 LEU N N 15 121.508 0.20 . 1 . . . . 194 Leu N . 25462 1 262 . 1 1 55 55 LYS H H 1 9.080 0.02 . 1 . . . . 195 Lys H . 25462 1 263 . 1 1 55 55 LYS C C 13 176.047 0.20 . 1 . . . . 195 Lys C . 25462 1 264 . 1 1 55 55 LYS CA C 13 55.344 0.20 . 1 . . . . 195 Lys CA . 25462 1 265 . 1 1 55 55 LYS CB C 13 34.013 0.20 . 1 . . . . 195 Lys CB . 25462 1 266 . 1 1 55 55 LYS N N 15 124.754 0.20 . 1 . . . . 195 Lys N . 25462 1 267 . 1 1 56 56 HIS H H 1 9.035 0.02 . 1 . . . . 196 His H . 25462 1 268 . 1 1 56 56 HIS C C 13 175.320 0.20 . 1 . . . . 196 His C . 25462 1 269 . 1 1 56 56 HIS CA C 13 55.291 0.20 . 1 . . . . 196 His CA . 25462 1 270 . 1 1 56 56 HIS CB C 13 29.821 0.20 . 1 . . . . 196 His CB . 25462 1 271 . 1 1 56 56 HIS N N 15 126.639 0.20 . 1 . . . . 196 His N . 25462 1 272 . 1 1 57 57 PRO C C 13 176.894 0.20 . 1 . . . . 197 Pro C . 25462 1 273 . 1 1 57 57 PRO CA C 13 65.764 0.20 . 1 . . . . 197 Pro CA . 25462 1 274 . 1 1 57 57 PRO CB C 13 31.289 0.20 . 1 . . . . 197 Pro CB . 25462 1 275 . 1 1 58 58 ASN H H 1 8.119 0.02 . 1 . . . . 198 Asn H . 25462 1 276 . 1 1 58 58 ASN C C 13 176.301 0.20 . 1 . . . . 198 Asn C . 25462 1 277 . 1 1 58 58 ASN CA C 13 53.044 0.20 . 1 . . . . 198 Asn CA . 25462 1 278 . 1 1 58 58 ASN CB C 13 37.014 0.20 . 1 . . . . 198 Asn CB . 25462 1 279 . 1 1 58 58 ASN N N 15 114.093 0.20 . 1 . . . . 198 Asn N . 25462 1 280 . 1 1 59 59 GLY H H 1 8.396 0.02 . 1 . . . . 199 Gly H . 25462 1 281 . 1 1 59 59 GLY C C 13 174.447 0.20 . 1 . . . . 199 Gly C . 25462 1 282 . 1 1 59 59 GLY CA C 13 44.972 0.20 . 1 . . . . 199 Gly CA . 25462 1 283 . 1 1 59 59 GLY N N 15 109.149 0.20 . 1 . . . . 199 Gly N . 25462 1 284 . 1 1 60 60 ASP H H 1 8.089 0.02 . 1 . . . . 200 Asp H . 25462 1 285 . 1 1 60 60 ASP C C 13 175.046 0.20 . 1 . . . . 200 Asp C . 25462 1 286 . 1 1 60 60 ASP CA C 13 55.115 0.20 . 1 . . . . 200 Asp CA . 25462 1 287 . 1 1 60 60 ASP CB C 13 40.772 0.20 . 1 . . . . 200 Asp CB . 25462 1 288 . 1 1 60 60 ASP N N 15 122.232 0.20 . 1 . . . . 200 Asp N . 25462 1 289 . 1 1 61 61 LYS H H 1 8.627 0.02 . 1 . . . . 201 Lys H . 25462 1 290 . 1 1 61 61 LYS C C 13 175.930 0.20 . 1 . . . . 201 Lys C . 25462 1 291 . 1 1 61 61 LYS CA C 13 54.812 0.20 . 1 . . . . 201 Lys CA . 25462 1 292 . 1 1 61 61 LYS CB C 13 35.822 0.20 . 1 . . . . 201 Lys CB . 25462 1 293 . 1 1 61 61 LYS N N 15 118.780 0.20 . 1 . . . . 201 Lys N . 25462 1 294 . 1 1 62 62 SER H H 1 8.856 0.02 . 1 . . . . 202 Ser H . 25462 1 295 . 1 1 62 62 SER C C 13 173.247 0.20 . 1 . . . . 202 Ser C . 25462 1 296 . 1 1 62 62 SER CA C 13 56.704 0.20 . 1 . . . . 202 Ser CA . 25462 1 297 . 1 1 62 62 SER CB C 13 65.820 0.20 . 1 . . . . 202 Ser CB . 25462 1 298 . 1 1 62 62 SER N N 15 115.571 0.20 . 1 . . . . 202 Ser N . 25462 1 299 . 1 1 63 63 LEU H H 1 9.377 0.02 . 1 . . . . 203 Leu H . 25462 1 300 . 1 1 63 63 LEU C C 13 174.609 0.20 . 1 . . . . 203 Leu C . 25462 1 301 . 1 1 63 63 LEU CA C 13 56.572 0.20 . 1 . . . . 203 Leu CA . 25462 1 302 . 1 1 63 63 LEU CB C 13 41.822 0.20 . 1 . . . . 203 Leu CB . 25462 1 303 . 1 1 63 63 LEU N N 15 127.538 0.20 . 1 . . . . 203 Leu N . 25462 1 304 . 1 1 64 64 SER H H 1 8.950 0.02 . 1 . . . . 204 Ser H . 25462 1 305 . 1 1 64 64 SER C C 13 174.591 0.20 . 1 . . . . 204 Ser C . 25462 1 306 . 1 1 64 64 SER CA C 13 59.225 0.20 . 1 . . . . 204 Ser CA . 25462 1 307 . 1 1 64 64 SER CB C 13 64.675 0.20 . 1 . . . . 204 Ser CB . 25462 1 308 . 1 1 64 64 SER N N 15 123.968 0.20 . 1 . . . . 204 Ser N . 25462 1 309 . 1 1 65 65 THR H H 1 7.786 0.02 . 1 . . . . 205 Thr H . 25462 1 310 . 1 1 65 65 THR C C 13 173.976 0.20 . 1 . . . . 205 Thr C . 25462 1 311 . 1 1 65 65 THR CA C 13 61.505 0.20 . 1 . . . . 205 Thr CA . 25462 1 312 . 1 1 65 65 THR CB C 13 71.810 0.20 . 1 . . . . 205 Thr CB . 25462 1 313 . 1 1 65 65 THR N N 15 115.755 0.20 . 1 . . . . 205 Thr N . 25462 1 314 . 1 1 66 66 LEU H H 1 9.289 0.02 . 1 . . . . 206 Leu H . 25462 1 315 . 1 1 66 66 LEU C C 13 174.627 0.20 . 1 . . . . 206 Leu C . 25462 1 316 . 1 1 66 66 LEU CA C 13 53.984 0.20 . 1 . . . . 206 Leu CA . 25462 1 317 . 1 1 66 66 LEU CB C 13 42.512 0.20 . 1 . . . . 206 Leu CB . 25462 1 318 . 1 1 66 66 LEU N N 15 128.827 0.20 . 1 . . . . 206 Leu N . 25462 1 319 . 1 1 67 67 HIS H H 1 8.170 0.02 . 1 . . . . 207 His H . 25462 1 320 . 1 1 67 67 HIS C C 13 176.418 0.20 . 1 . . . . 207 His C . 25462 1 321 . 1 1 67 67 HIS CA C 13 57.244 0.20 . 1 . . . . 207 His CA . 25462 1 322 . 1 1 67 67 HIS CB C 13 29.868 0.20 . 1 . . . . 207 His CB . 25462 1 323 . 1 1 67 67 HIS N N 15 127.804 0.20 . 1 . . . . 207 His N . 25462 1 324 . 1 1 68 68 ARG H H 1 7.829 0.02 . 1 . . . . 208 Arg H . 25462 1 325 . 1 1 68 68 ARG C C 13 173.362 0.20 . 1 . . . . 208 Arg C . 25462 1 326 . 1 1 68 68 ARG CA C 13 55.915 0.20 . 1 . . . . 208 Arg CA . 25462 1 327 . 1 1 68 68 ARG CB C 13 33.064 0.20 . 1 . . . . 208 Arg CB . 25462 1 328 . 1 1 68 68 ARG N N 15 112.689 0.20 . 1 . . . . 208 Arg N . 25462 1 329 . 1 1 69 69 LEU H H 1 8.582 0.02 . 1 . . . . 209 Leu H . 25462 1 330 . 1 1 69 69 LEU C C 13 173.875 0.20 . 1 . . . . 209 Leu C . 25462 1 331 . 1 1 69 69 LEU CA C 13 54.894 0.20 . 1 . . . . 209 Leu CA . 25462 1 332 . 1 1 69 69 LEU CB C 13 44.205 0.20 . 1 . . . . 209 Leu CB . 25462 1 333 . 1 1 69 69 LEU N N 15 128.412 0.20 . 1 . . . . 209 Leu N . 25462 1 334 . 1 1 70 70 ASN H H 1 9.277 0.02 . 1 . . . . 210 Asn H . 25462 1 335 . 1 1 70 70 ASN C C 13 173.503 0.20 . 1 . . . . 210 Asn C . 25462 1 336 . 1 1 70 70 ASN CA C 13 50.502 0.20 . 1 . . . . 210 Asn CA . 25462 1 337 . 1 1 70 70 ASN CB C 13 44.012 0.20 . 1 . . . . 210 Asn CB . 25462 1 338 . 1 1 70 70 ASN N N 15 125.941 0.20 . 1 . . . . 210 Asn N . 25462 1 339 . 1 1 71 71 ALA H H 1 8.398 0.02 . 1 . . . . 211 Ala H . 25462 1 340 . 1 1 71 71 ALA C C 13 174.830 0.20 . 1 . . . . 211 Ala C . 25462 1 341 . 1 1 71 71 ALA CA C 13 49.601 0.20 . 1 . . . . 211 Ala CA . 25462 1 342 . 1 1 71 71 ALA CB C 13 21.379 0.20 . 1 . . . . 211 Ala CB . 25462 1 343 . 1 1 71 71 ALA N N 15 121.624 0.20 . 1 . . . . 211 Ala N . 25462 1 344 . 1 1 72 72 TYR H H 1 9.451 0.02 . 1 . . . . 212 Tyr H . 25462 1 345 . 1 1 72 72 TYR C C 13 176.564 0.20 . 1 . . . . 212 Tyr C . 25462 1 346 . 1 1 72 72 TYR CA C 13 56.779 0.20 . 1 . . . . 212 Tyr CA . 25462 1 347 . 1 1 72 72 TYR CB C 13 42.930 0.20 . 1 . . . . 212 Tyr CB . 25462 1 348 . 1 1 72 72 TYR N N 15 122.060 0.20 . 1 . . . . 212 Tyr N . 25462 1 349 . 1 1 73 73 ASP H H 1 9.206 0.02 . 1 . . . . 213 Asp H . 25462 1 350 . 1 1 73 73 ASP C C 13 177.987 0.20 . 1 . . . . 213 Asp C . 25462 1 351 . 1 1 73 73 ASP CA C 13 52.364 0.20 . 1 . . . . 213 Asp CA . 25462 1 352 . 1 1 73 73 ASP CB C 13 42.598 0.20 . 1 . . . . 213 Asp CB . 25462 1 353 . 1 1 73 73 ASP N N 15 119.714 0.20 . 1 . . . . 213 Asp N . 25462 1 354 . 1 1 74 74 GLN H H 1 8.826 0.02 . 1 . . . . 214 Gln H . 25462 1 355 . 1 1 74 74 GLN C C 13 176.045 0.20 . 1 . . . . 214 Gln C . 25462 1 356 . 1 1 74 74 GLN CA C 13 58.328 0.20 . 1 . . . . 214 Gln CA . 25462 1 357 . 1 1 74 74 GLN CB C 13 25.462 0.20 . 1 . . . . 214 Gln CB . 25462 1 358 . 1 1 74 74 GLN N N 15 117.092 0.20 . 1 . . . . 214 Gln N . 25462 1 359 . 1 1 75 75 ASN H H 1 8.766 0.02 . 1 . . . . 215 Asn H . 25462 1 360 . 1 1 75 75 ASN C C 13 175.758 0.20 . 1 . . . . 215 Asn C . 25462 1 361 . 1 1 75 75 ASN CA C 13 52.837 0.20 . 1 . . . . 215 Asn CA . 25462 1 362 . 1 1 75 75 ASN CB C 13 39.805 0.20 . 1 . . . . 215 Asn CB . 25462 1 363 . 1 1 75 75 ASN N N 15 119.831 0.20 . 1 . . . . 215 Asn N . 25462 1 364 . 1 1 76 76 GLY H H 1 8.217 0.02 . 1 . . . . 216 Gly H . 25462 1 365 . 1 1 76 76 GLY C C 13 174.460 0.20 . 1 . . . . 216 Gly C . 25462 1 366 . 1 1 76 76 GLY CA C 13 45.528 0.20 . 1 . . . . 216 Gly CA . 25462 1 367 . 1 1 76 76 GLY N N 15 109.055 0.20 . 1 . . . . 216 Gly N . 25462 1 368 . 1 1 77 77 GLY H H 1 9.271 0.02 . 1 . . . . 217 Gly H . 25462 1 369 . 1 1 77 77 GLY C C 13 173.733 0.20 . 1 . . . . 217 Gly C . 25462 1 370 . 1 1 77 77 GLY CA C 13 44.692 0.20 . 1 . . . . 217 Gly CA . 25462 1 371 . 1 1 77 77 GLY N N 15 112.479 0.20 . 1 . . . . 217 Gly N . 25462 1 372 . 1 1 78 78 LEU H H 1 8.752 0.02 . 1 . . . . 218 Leu H . 25462 1 373 . 1 1 78 78 LEU C C 13 176.526 0.20 . 1 . . . . 218 Leu C . 25462 1 374 . 1 1 78 78 LEU CA C 13 56.079 0.20 . 1 . . . . 218 Leu CA . 25462 1 375 . 1 1 78 78 LEU CB C 13 41.698 0.20 . 1 . . . . 218 Leu CB . 25462 1 376 . 1 1 78 78 LEU N N 15 127.151 0.20 . 1 . . . . 218 Leu N . 25462 1 377 . 1 1 79 79 VAL H H 1 8.872 0.02 . 1 . . . . 219 Val H . 25462 1 378 . 1 1 79 79 VAL C C 13 174.148 0.20 . 1 . . . . 219 Val C . 25462 1 379 . 1 1 79 79 VAL CA C 13 61.467 0.20 . 1 . . . . 219 Val CA . 25462 1 380 . 1 1 79 79 VAL CB C 13 33.267 0.20 . 1 . . . . 219 Val CB . 25462 1 381 . 1 1 79 79 VAL N N 15 120.227 0.20 . 1 . . . . 219 Val N . 25462 1 382 . 1 1 80 80 ALA H H 1 7.628 0.02 . 1 . . . . 220 Ala H . 25462 1 383 . 1 1 80 80 ALA C C 13 173.715 0.20 . 1 . . . . 220 Ala C . 25462 1 384 . 1 1 80 80 ALA CA C 13 51.657 0.20 . 1 . . . . 220 Ala CA . 25462 1 385 . 1 1 80 80 ALA CB C 13 22.878 0.20 . 1 . . . . 220 Ala CB . 25462 1 386 . 1 1 80 80 ALA N N 15 119.263 0.20 . 1 . . . . 220 Ala N . 25462 1 387 . 1 1 81 81 LYS H H 1 9.042 0.02 . 1 . . . . 221 Lys H . 25462 1 388 . 1 1 81 81 LYS C C 13 173.092 0.20 . 1 . . . . 221 Lys C . 25462 1 389 . 1 1 81 81 LYS CA C 13 54.106 0.20 . 1 . . . . 221 Lys CA . 25462 1 390 . 1 1 81 81 LYS CB C 13 36.970 0.20 . 1 . . . . 221 Lys CB . 25462 1 391 . 1 1 81 81 LYS N N 15 118.052 0.20 . 1 . . . . 221 Lys N . 25462 1 392 . 1 1 82 82 LEU H H 1 9.466 0.02 . 1 . . . . 222 Leu H . 25462 1 393 . 1 1 82 82 LEU C C 13 174.377 0.20 . 1 . . . . 222 Leu C . 25462 1 394 . 1 1 82 82 LEU CA C 13 53.905 0.20 . 1 . . . . 222 Leu CA . 25462 1 395 . 1 1 82 82 LEU CB C 13 47.997 0.20 . 1 . . . . 222 Leu CB . 25462 1 396 . 1 1 82 82 LEU N N 15 126.195 0.20 . 1 . . . . 222 Leu N . 25462 1 397 . 1 1 83 83 VAL H H 1 8.363 0.02 . 1 . . . . 223 Val H . 25462 1 398 . 1 1 83 83 VAL C C 13 173.564 0.20 . 1 . . . . 223 Val C . 25462 1 399 . 1 1 83 83 VAL CA C 13 59.334 0.20 . 1 . . . . 223 Val CA . 25462 1 400 . 1 1 83 83 VAL CB C 13 35.388 0.20 . 1 . . . . 223 Val CB . 25462 1 401 . 1 1 83 83 VAL N N 15 118.487 0.20 . 1 . . . . 223 Val N . 25462 1 402 . 1 1 84 84 ALA H H 1 8.540 0.02 . 1 . . . . 224 Ala H . 25462 1 403 . 1 1 84 84 ALA C C 13 179.046 0.20 . 1 . . . . 224 Ala C . 25462 1 404 . 1 1 84 84 ALA CA C 13 50.255 0.20 . 1 . . . . 224 Ala CA . 25462 1 405 . 1 1 84 84 ALA CB C 13 22.611 0.20 . 1 . . . . 224 Ala CB . 25462 1 406 . 1 1 84 84 ALA N N 15 120.799 0.20 . 1 . . . . 224 Ala N . 25462 1 407 . 1 1 85 85 THR H H 1 9.297 0.02 . 1 . . . . 225 Thr H . 25462 1 408 . 1 1 85 85 THR C C 13 173.618 0.20 . 1 . . . . 225 Thr C . 25462 1 409 . 1 1 85 85 THR CA C 13 63.136 0.20 . 1 . . . . 225 Thr CA . 25462 1 410 . 1 1 85 85 THR CB C 13 69.199 0.20 . 1 . . . . 225 Thr CB . 25462 1 411 . 1 1 85 85 THR N N 15 111.944 0.20 . 1 . . . . 225 Thr N . 25462 1 412 . 1 1 86 86 ASP H H 1 7.277 0.02 . 1 . . . . 226 Asp H . 25462 1 413 . 1 1 86 86 ASP C C 13 174.676 0.20 . 1 . . . . 226 Asp C . 25462 1 414 . 1 1 86 86 ASP CA C 13 52.179 0.20 . 1 . . . . 226 Asp CA . 25462 1 415 . 1 1 86 86 ASP CB C 13 44.816 0.20 . 1 . . . . 226 Asp CB . 25462 1 416 . 1 1 86 86 ASP N N 15 117.725 0.20 . 1 . . . . 226 Asp N . 25462 1 417 . 1 1 87 87 ASP H H 1 8.639 0.02 . 1 . . . . 227 Asp H . 25462 1 418 . 1 1 87 87 ASP C C 13 175.205 0.20 . 1 . . . . 227 Asp C . 25462 1 419 . 1 1 87 87 ASP CA C 13 55.242 0.20 . 1 . . . . 227 Asp CA . 25462 1 420 . 1 1 87 87 ASP CB C 13 40.835 0.20 . 1 . . . . 227 Asp CB . 25462 1 421 . 1 1 87 87 ASP N N 15 120.402 0.20 . 1 . . . . 227 Asp N . 25462 1 422 . 1 1 88 88 LEU H H 1 9.075 0.02 . 1 . . . . 228 Leu H . 25462 1 423 . 1 1 88 88 LEU C C 13 177.320 0.20 . 1 . . . . 228 Leu C . 25462 1 424 . 1 1 88 88 LEU CA C 13 54.057 0.20 . 1 . . . . 228 Leu CA . 25462 1 425 . 1 1 88 88 LEU CB C 13 44.326 0.20 . 1 . . . . 228 Leu CB . 25462 1 426 . 1 1 88 88 LEU N N 15 120.427 0.20 . 1 . . . . 228 Leu N . 25462 1 427 . 1 1 89 89 THR H H 1 9.791 0.02 . 1 . . . . 229 Thr H . 25462 1 428 . 1 1 89 89 THR C C 13 177.756 0.20 . 1 . . . . 229 Thr C . 25462 1 429 . 1 1 89 89 THR CA C 13 59.947 0.20 . 1 . . . . 229 Thr CA . 25462 1 430 . 1 1 89 89 THR CB C 13 73.123 0.20 . 1 . . . . 229 Thr CB . 25462 1 431 . 1 1 89 89 THR N N 15 113.038 0.20 . 1 . . . . 229 Thr N . 25462 1 432 . 1 1 90 90 VAL H H 1 8.812 0.02 . 1 . . . . 230 Val H . 25462 1 433 . 1 1 90 90 VAL C C 13 178.049 0.20 . 1 . . . . 230 Val C . 25462 1 434 . 1 1 90 90 VAL CA C 13 65.457 0.20 . 1 . . . . 230 Val CA . 25462 1 435 . 1 1 90 90 VAL CB C 13 31.325 0.20 . 1 . . . . 230 Val CB . 25462 1 436 . 1 1 90 90 VAL N N 15 120.896 0.20 . 1 . . . . 230 Val N . 25462 1 437 . 1 1 91 91 GLU H H 1 8.263 0.02 . 1 . . . . 231 Glu H . 25462 1 438 . 1 1 91 91 GLU C C 13 177.836 0.20 . 1 . . . . 231 Glu C . 25462 1 439 . 1 1 91 91 GLU CA C 13 58.794 0.20 . 1 . . . . 231 Glu CA . 25462 1 440 . 1 1 91 91 GLU CB C 13 28.727 0.20 . 1 . . . . 231 Glu CB . 25462 1 441 . 1 1 91 91 GLU N N 15 119.690 0.20 . 1 . . . . 231 Glu N . 25462 1 442 . 1 1 92 92 ASP H H 1 8.040 0.02 . 1 . . . . 232 Asp H . 25462 1 443 . 1 1 92 92 ASP C C 13 176.554 0.20 . 1 . . . . 232 Asp C . 25462 1 444 . 1 1 92 92 ASP CA C 13 56.683 0.20 . 1 . . . . 232 Asp CA . 25462 1 445 . 1 1 92 92 ASP CB C 13 42.877 0.20 . 1 . . . . 232 Asp CB . 25462 1 446 . 1 1 92 92 ASP N N 15 116.708 0.20 . 1 . . . . 232 Asp N . 25462 1 447 . 1 1 93 93 GLU H H 1 7.837 0.02 . 1 . . . . 233 Glu H . 25462 1 448 . 1 1 93 93 GLU C C 13 178.531 0.20 . 1 . . . . 233 Glu C . 25462 1 449 . 1 1 93 93 GLU CA C 13 60.895 0.20 . 1 . . . . 233 Glu CA . 25462 1 450 . 1 1 93 93 GLU CB C 13 29.202 0.20 . 1 . . . . 233 Glu CB . 25462 1 451 . 1 1 93 93 GLU N N 15 120.827 0.20 . 1 . . . . 233 Glu N . 25462 1 452 . 1 1 94 94 LYS H H 1 8.244 0.02 . 1 . . . . 234 Lys H . 25462 1 453 . 1 1 94 94 LYS C C 13 179.563 0.20 . 1 . . . . 234 Lys C . 25462 1 454 . 1 1 94 94 LYS CA C 13 60.041 0.20 . 1 . . . . 234 Lys CA . 25462 1 455 . 1 1 94 94 LYS CB C 13 31.016 0.20 . 1 . . . . 234 Lys CB . 25462 1 456 . 1 1 94 94 LYS N N 15 119.205 0.20 . 1 . . . . 234 Lys N . 25462 1 457 . 1 1 95 95 ASP H H 1 8.132 0.02 . 1 . . . . 235 Asp H . 25462 1 458 . 1 1 95 95 ASP C C 13 177.492 0.20 . 1 . . . . 235 Asp C . 25462 1 459 . 1 1 95 95 ASP CA C 13 57.340 0.20 . 1 . . . . 235 Asp CA . 25462 1 460 . 1 1 95 95 ASP CB C 13 39.908 0.20 . 1 . . . . 235 Asp CB . 25462 1 461 . 1 1 95 95 ASP N N 15 122.299 0.20 . 1 . . . . 235 Asp N . 25462 1 462 . 1 1 96 96 GLY H H 1 8.194 0.02 . 1 . . . . 236 Gly H . 25462 1 463 . 1 1 96 96 GLY C C 13 174.864 0.20 . 1 . . . . 236 Gly C . 25462 1 464 . 1 1 96 96 GLY CA C 13 45.732 0.20 . 1 . . . . 236 Gly CA . 25462 1 465 . 1 1 96 96 GLY N N 15 108.865 0.20 . 1 . . . . 236 Gly N . 25462 1 466 . 1 1 97 97 HIS H H 1 8.616 0.02 . 1 . . . . 237 His H . 25462 1 467 . 1 1 97 97 HIS C C 13 177.142 0.20 . 1 . . . . 237 His C . 25462 1 468 . 1 1 97 97 HIS CA C 13 60.928 0.20 . 1 . . . . 237 His CA . 25462 1 469 . 1 1 97 97 HIS CB C 13 28.379 0.20 . 1 . . . . 237 His CB . 25462 1 470 . 1 1 97 97 HIS N N 15 119.751 0.20 . 1 . . . . 237 His N . 25462 1 471 . 1 1 98 98 ALA H H 1 8.114 0.02 . 1 . . . . 238 Ala H . 25462 1 472 . 1 1 98 98 ALA C C 13 180.941 0.20 . 1 . . . . 238 Ala C . 25462 1 473 . 1 1 98 98 ALA CA C 13 55.371 0.20 . 1 . . . . 238 Ala CA . 25462 1 474 . 1 1 98 98 ALA CB C 13 18.473 0.20 . 1 . . . . 238 Ala CB . 25462 1 475 . 1 1 98 98 ALA N N 15 120.801 0.20 . 1 . . . . 238 Ala N . 25462 1 476 . 1 1 99 99 ILE H H 1 8.625 0.02 . 1 . . . . 239 Ile H . 25462 1 477 . 1 1 99 99 ILE C C 13 176.839 0.20 . 1 . . . . 239 Ile C . 25462 1 478 . 1 1 99 99 ILE CA C 13 62.304 0.20 . 1 . . . . 239 Ile CA . 25462 1 479 . 1 1 99 99 ILE CB C 13 37.790 0.20 . 1 . . . . 239 Ile CB . 25462 1 480 . 1 1 99 99 ILE N N 15 120.418 0.20 . 1 . . . . 239 Ile N . 25462 1 481 . 1 1 100 100 LEU H H 1 7.289 0.02 . 1 . . . . 240 Leu H . 25462 1 482 . 1 1 100 100 LEU C C 13 177.706 0.20 . 1 . . . . 240 Leu C . 25462 1 483 . 1 1 100 100 LEU CA C 13 57.133 0.20 . 1 . . . . 240 Leu CA . 25462 1 484 . 1 1 100 100 LEU CB C 13 41.260 0.20 . 1 . . . . 240 Leu CB . 25462 1 485 . 1 1 100 100 LEU N N 15 122.035 0.20 . 1 . . . . 240 Leu N . 25462 1 486 . 1 1 101 101 ASN H H 1 7.893 0.02 . 1 . . . . 241 Asn H . 25462 1 487 . 1 1 101 101 ASN C C 13 177.347 0.20 . 1 . . . . 241 Asn C . 25462 1 488 . 1 1 101 101 ASN CA C 13 56.715 0.20 . 1 . . . . 241 Asn CA . 25462 1 489 . 1 1 101 101 ASN CB C 13 37.030 0.20 . 1 . . . . 241 Asn CB . 25462 1 490 . 1 1 101 101 ASN N N 15 119.329 0.20 . 1 . . . . 241 Asn N . 25462 1 491 . 1 1 102 102 SER H H 1 7.648 0.02 . 1 . . . . 242 Ser H . 25462 1 492 . 1 1 102 102 SER C C 13 176.307 0.20 . 1 . . . . 242 Ser C . 25462 1 493 . 1 1 102 102 SER CA C 13 61.749 0.20 . 1 . . . . 242 Ser CA . 25462 1 494 . 1 1 102 102 SER CB C 13 63.153 0.20 . 1 . . . . 242 Ser CB . 25462 1 495 . 1 1 102 102 SER N N 15 112.927 0.20 . 1 . . . . 242 Ser N . 25462 1 496 . 1 1 103 103 LEU H H 1 7.289 0.02 . 1 . . . . 243 Leu H . 25462 1 497 . 1 1 103 103 LEU C C 13 177.357 0.20 . 1 . . . . 243 Leu C . 25462 1 498 . 1 1 103 103 LEU CA C 13 59.035 0.20 . 1 . . . . 243 Leu CA . 25462 1 499 . 1 1 103 103 LEU CB C 13 41.157 0.20 . 1 . . . . 243 Leu CB . 25462 1 500 . 1 1 103 103 LEU N N 15 120.356 0.20 . 1 . . . . 243 Leu N . 25462 1 501 . 1 1 104 104 PHE H H 1 8.017 0.02 . 1 . . . . 244 Phe H . 25462 1 502 . 1 1 104 104 PHE C C 13 178.516 0.20 . 1 . . . . 244 Phe C . 25462 1 503 . 1 1 104 104 PHE CA C 13 60.659 0.20 . 1 . . . . 244 Phe CA . 25462 1 504 . 1 1 104 104 PHE CB C 13 37.047 0.20 . 1 . . . . 244 Phe CB . 25462 1 505 . 1 1 104 104 PHE N N 15 114.779 0.20 . 1 . . . . 244 Phe N . 25462 1 506 . 1 1 105 105 GLU H H 1 9.002 0.02 . 1 . . . . 245 Glu H . 25462 1 507 . 1 1 105 105 GLU C C 13 178.814 0.20 . 1 . . . . 245 Glu C . 25462 1 508 . 1 1 105 105 GLU CA C 13 58.911 0.20 . 1 . . . . 245 Glu CA . 25462 1 509 . 1 1 105 105 GLU CB C 13 28.852 0.20 . 1 . . . . 245 Glu CB . 25462 1 510 . 1 1 105 105 GLU N N 15 120.013 0.20 . 1 . . . . 245 Glu N . 25462 1 511 . 1 1 106 106 ARG H H 1 7.663 0.02 . 1 . . . . 246 Arg H . 25462 1 512 . 1 1 106 106 ARG C C 13 178.628 0.20 . 1 . . . . 246 Arg C . 25462 1 513 . 1 1 106 106 ARG CA C 13 58.417 0.20 . 1 . . . . 246 Arg CA . 25462 1 514 . 1 1 106 106 ARG CB C 13 29.200 0.20 . 1 . . . . 246 Arg CB . 25462 1 515 . 1 1 106 106 ARG N N 15 117.657 0.20 . 1 . . . . 246 Arg N . 25462 1 516 . 1 1 107 107 PHE H H 1 7.491 0.02 . 1 . . . . 247 Phe H . 25462 1 517 . 1 1 107 107 PHE C C 13 173.900 0.20 . 1 . . . . 247 Phe C . 25462 1 518 . 1 1 107 107 PHE CA C 13 58.956 0.20 . 1 . . . . 247 Phe CA . 25462 1 519 . 1 1 107 107 PHE CB C 13 39.648 0.20 . 1 . . . . 247 Phe CB . 25462 1 520 . 1 1 107 107 PHE N N 15 117.427 0.20 . 1 . . . . 247 Phe N . 25462 1 521 . 1 1 108 108 ASP H H 1 8.178 0.02 . 1 . . . . 248 Asp H . 25462 1 522 . 1 1 108 108 ASP C C 13 175.215 0.20 . 1 . . . . 248 Asp C . 25462 1 523 . 1 1 108 108 ASP CA C 13 53.803 0.20 . 1 . . . . 248 Asp CA . 25462 1 524 . 1 1 108 108 ASP CB C 13 42.811 0.20 . 1 . . . . 248 Asp CB . 25462 1 525 . 1 1 108 108 ASP N N 15 118.635 0.20 . 1 . . . . 248 Asp N . 25462 1 526 . 1 1 109 109 GLU H H 1 8.456 0.02 . 1 . . . . 249 Glu H . 25462 1 527 . 1 1 109 109 GLU C C 13 176.968 0.20 . 1 . . . . 249 Glu C . 25462 1 528 . 1 1 109 109 GLU CA C 13 57.863 0.20 . 1 . . . . 249 Glu CA . 25462 1 529 . 1 1 109 109 GLU CB C 13 29.111 0.20 . 1 . . . . 249 Glu CB . 25462 1 530 . 1 1 109 109 GLU N N 15 124.121 0.20 . 1 . . . . 249 Glu N . 25462 1 531 . 1 1 110 110 GLY H H 1 8.275 0.02 . 1 . . . . 250 Gly H . 25462 1 532 . 1 1 110 110 GLY C C 13 173.651 0.20 . 1 . . . . 250 Gly C . 25462 1 533 . 1 1 110 110 GLY CA C 13 45.196 0.20 . 1 . . . . 250 Gly CA . 25462 1 534 . 1 1 110 110 GLY N N 15 108.806 0.20 . 1 . . . . 250 Gly N . 25462 1 535 . 1 1 111 111 HIS H H 1 8.038 0.02 . 1 . . . . 251 His H . 25462 1 536 . 1 1 111 111 HIS C C 13 174.108 0.20 . 1 . . . . 251 His C . 25462 1 537 . 1 1 111 111 HIS CA C 13 55.437 0.20 . 1 . . . . 251 His CA . 25462 1 538 . 1 1 111 111 HIS CB C 13 27.939 0.20 . 1 . . . . 251 His CB . 25462 1 539 . 1 1 111 111 HIS N N 15 118.489 0.20 . 1 . . . . 251 His N . 25462 1 540 . 1 1 112 112 SER H H 1 9.001 0.02 . 1 . . . . 252 Ser H . 25462 1 541 . 1 1 112 112 SER C C 13 174.885 0.20 . 1 . . . . 252 Ser C . 25462 1 542 . 1 1 112 112 SER CA C 13 59.604 0.20 . 1 . . . . 252 Ser CA . 25462 1 543 . 1 1 112 112 SER CB C 13 64.939 0.20 . 1 . . . . 252 Ser CB . 25462 1 544 . 1 1 112 112 SER N N 15 116.613 0.20 . 1 . . . . 252 Ser N . 25462 1 545 . 1 1 113 113 LYS H H 1 8.590 0.02 . 1 . . . . 253 Lys H . 25462 1 546 . 1 1 113 113 LYS C C 13 174.534 0.20 . 1 . . . . 253 Lys C . 25462 1 547 . 1 1 113 113 LYS CA C 13 55.303 0.20 . 1 . . . . 253 Lys CA . 25462 1 548 . 1 1 113 113 LYS CB C 13 32.940 0.20 . 1 . . . . 253 Lys CB . 25462 1 549 . 1 1 113 113 LYS N N 15 125.908 0.20 . 1 . . . . 253 Lys N . 25462 1 550 . 1 1 114 114 PRO C C 13 175.591 0.20 . 1 . . . . 254 Pro C . 25462 1 551 . 1 1 114 114 PRO CA C 13 63.776 0.20 . 1 . . . . 254 Pro CA . 25462 1 552 . 1 1 114 114 PRO CB C 13 32.395 0.20 . 1 . . . . 254 Pro CB . 25462 1 553 . 1 1 115 115 ILE H H 1 8.229 0.02 . 1 . . . . 255 Ile H . 25462 1 554 . 1 1 115 115 ILE C C 13 174.466 0.20 . 1 . . . . 255 Ile C . 25462 1 555 . 1 1 115 115 ILE CA C 13 60.838 0.20 . 1 . . . . 255 Ile CA . 25462 1 556 . 1 1 115 115 ILE CB C 13 39.828 0.20 . 1 . . . . 255 Ile CB . 25462 1 557 . 1 1 115 115 ILE N N 15 121.517 0.20 . 1 . . . . 255 Ile N . 25462 1 558 . 1 1 116 116 ARG H H 1 8.736 0.02 . 1 . . . . 256 Arg H . 25462 1 559 . 1 1 116 116 ARG C C 13 174.588 0.20 . 1 . . . . 256 Arg C . 25462 1 560 . 1 1 116 116 ARG CA C 13 54.149 0.20 . 1 . . . . 256 Arg CA . 25462 1 561 . 1 1 116 116 ARG CB C 13 33.440 0.20 . 1 . . . . 256 Arg CB . 25462 1 562 . 1 1 116 116 ARG N N 15 125.206 0.20 . 1 . . . . 256 Arg N . 25462 1 563 . 1 1 117 117 ALA H H 1 8.739 0.02 . 1 . . . . 257 Ala H . 25462 1 564 . 1 1 117 117 ALA C C 13 175.904 0.20 . 1 . . . . 257 Ala C . 25462 1 565 . 1 1 117 117 ALA CA C 13 50.710 0.20 . 1 . . . . 257 Ala CA . 25462 1 566 . 1 1 117 117 ALA CB C 13 22.996 0.20 . 1 . . . . 257 Ala CB . 25462 1 567 . 1 1 117 117 ALA N N 15 122.489 0.20 . 1 . . . . 257 Ala N . 25462 1 568 . 1 1 118 118 ALA H H 1 7.805 0.02 . 1 . . . . 258 Ala H . 25462 1 569 . 1 1 118 118 ALA C C 13 176.528 0.20 . 1 . . . . 258 Ala C . 25462 1 570 . 1 1 118 118 ALA CA C 13 51.248 0.20 . 1 . . . . 258 Ala CA . 25462 1 571 . 1 1 118 118 ALA CB C 13 18.858 0.20 . 1 . . . . 258 Ala CB . 25462 1 572 . 1 1 118 118 ALA N N 15 123.668 0.20 . 1 . . . . 258 Ala N . 25462 1 573 . 1 1 119 119 GLU H H 1 8.452 0.02 . 1 . . . . 259 Glu H . 25462 1 574 . 1 1 119 119 GLU C C 13 179.200 0.20 . 1 . . . . 259 Glu C . 25462 1 575 . 1 1 119 119 GLU CA C 13 61.918 0.20 . 1 . . . . 259 Glu CA . 25462 1 576 . 1 1 119 119 GLU CB C 13 30.535 0.20 . 1 . . . . 259 Glu CB . 25462 1 577 . 1 1 119 119 GLU N N 15 117.242 0.20 . 1 . . . . 259 Glu N . 25462 1 578 . 1 1 120 120 THR H H 1 11.025 0.02 . 1 . . . . 260 Thr H . 25462 1 579 . 1 1 120 120 THR C C 13 178.334 0.20 . 1 . . . . 260 Thr C . 25462 1 580 . 1 1 120 120 THR CA C 13 67.614 0.20 . 1 . . . . 260 Thr CA . 25462 1 581 . 1 1 120 120 THR N N 15 121.999 0.20 . 1 . . . . 260 Thr N . 25462 1 582 . 1 1 121 121 ALA H H 1 8.723 0.02 . 1 . . . . 261 Ala H . 25462 1 583 . 1 1 121 121 ALA C C 13 178.832 0.20 . 1 . . . . 261 Ala C . 25462 1 584 . 1 1 121 121 ALA CA C 13 55.498 0.20 . 1 . . . . 261 Ala CA . 25462 1 585 . 1 1 121 121 ALA CB C 13 19.767 0.20 . 1 . . . . 261 Ala CB . 25462 1 586 . 1 1 121 121 ALA N N 15 126.220 0.20 . 1 . . . . 261 Ala N . 25462 1 587 . 1 1 122 122 VAL H H 1 8.693 0.02 . 1 . . . . 262 Val H . 25462 1 588 . 1 1 122 122 VAL C C 13 178.489 0.20 . 1 . . . . 262 Val C . 25462 1 589 . 1 1 122 122 VAL CA C 13 68.234 0.20 . 1 . . . . 262 Val CA . 25462 1 590 . 1 1 122 122 VAL CB C 13 31.327 0.20 . 1 . . . . 262 Val CB . 25462 1 591 . 1 1 122 122 VAL N N 15 119.536 0.20 . 1 . . . . 262 Val N . 25462 1 592 . 1 1 123 123 GLY H H 1 7.319 0.02 . 1 . . . . 263 Gly H . 25462 1 593 . 1 1 123 123 GLY C C 13 177.216 0.20 . 1 . . . . 263 Gly C . 25462 1 594 . 1 1 123 123 GLY CA C 13 47.119 0.20 . 1 . . . . 263 Gly CA . 25462 1 595 . 1 1 123 123 GLY N N 15 106.088 0.20 . 1 . . . . 263 Gly N . 25462 1 596 . 1 1 124 124 VAL H H 1 7.524 0.02 . 1 . . . . 264 Val H . 25462 1 597 . 1 1 124 124 VAL C C 13 176.796 0.20 . 1 . . . . 264 Val C . 25462 1 598 . 1 1 124 124 VAL CA C 13 66.767 0.20 . 1 . . . . 264 Val CA . 25462 1 599 . 1 1 124 124 VAL CB C 13 31.413 0.20 . 1 . . . . 264 Val CB . 25462 1 600 . 1 1 124 124 VAL N N 15 122.723 0.20 . 1 . . . . 264 Val N . 25462 1 601 . 1 1 125 125 LEU H H 1 8.900 0.02 . 1 . . . . 265 Leu H . 25462 1 602 . 1 1 125 125 LEU C C 13 179.327 0.20 . 1 . . . . 265 Leu C . 25462 1 603 . 1 1 125 125 LEU CA C 13 59.224 0.20 . 1 . . . . 265 Leu CA . 25462 1 604 . 1 1 125 125 LEU CB C 13 39.891 0.20 . 1 . . . . 265 Leu CB . 25462 1 605 . 1 1 125 125 LEU N N 15 118.845 0.20 . 1 . . . . 265 Leu N . 25462 1 606 . 1 1 126 126 SER H H 1 8.380 0.02 . 1 . . . . 266 Ser H . 25462 1 607 . 1 1 126 126 SER C C 13 177.715 0.20 . 1 . . . . 266 Ser C . 25462 1 608 . 1 1 126 126 SER CA C 13 61.728 0.20 . 1 . . . . 266 Ser CA . 25462 1 609 . 1 1 126 126 SER CB C 13 62.775 0.20 . 1 . . . . 266 Ser CB . 25462 1 610 . 1 1 126 126 SER N N 15 113.792 0.20 . 1 . . . . 266 Ser N . 25462 1 611 . 1 1 127 127 GLN H H 1 8.036 0.02 . 1 . . . . 267 Gln H . 25462 1 612 . 1 1 127 127 GLN C C 13 177.353 0.20 . 1 . . . . 267 Gln C . 25462 1 613 . 1 1 127 127 GLN CA C 13 59.234 0.20 . 1 . . . . 267 Gln CA . 25462 1 614 . 1 1 127 127 GLN CB C 13 27.104 0.20 . 1 . . . . 267 Gln CB . 25462 1 615 . 1 1 127 127 GLN N N 15 124.596 0.20 . 1 . . . . 267 Gln N . 25462 1 616 . 1 1 128 128 PHE H H 1 7.498 0.02 . 1 . . . . 268 Phe H . 25462 1 617 . 1 1 128 128 PHE C C 13 176.298 0.20 . 1 . . . . 268 Phe C . 25462 1 618 . 1 1 128 128 PHE CA C 13 55.776 0.20 . 1 . . . . 268 Phe CA . 25462 1 619 . 1 1 128 128 PHE CB C 13 38.095 0.20 . 1 . . . . 268 Phe CB . 25462 1 620 . 1 1 128 128 PHE N N 15 112.085 0.20 . 1 . . . . 268 Phe N . 25462 1 621 . 1 1 129 129 GLY H H 1 7.902 0.02 . 1 . . . . 269 Gly H . 25462 1 622 . 1 1 129 129 GLY C C 13 175.902 0.20 . 1 . . . . 269 Gly C . 25462 1 623 . 1 1 129 129 GLY CA C 13 48.714 0.20 . 1 . . . . 269 Gly CA . 25462 1 624 . 1 1 129 129 GLY N N 15 109.385 0.20 . 1 . . . . 269 Gly N . 25462 1 625 . 1 1 130 130 GLN H H 1 8.706 0.02 . 1 . . . . 270 Gln H . 25462 1 626 . 1 1 130 130 GLN C C 13 176.629 0.20 . 1 . . . . 270 Gln C . 25462 1 627 . 1 1 130 130 GLN CA C 13 53.833 0.20 . 1 . . . . 270 Gln CA . 25462 1 628 . 1 1 130 130 GLN CB C 13 28.883 0.20 . 1 . . . . 270 Gln CB . 25462 1 629 . 1 1 130 130 GLN N N 15 113.862 0.20 . 1 . . . . 270 Gln N . 25462 1 630 . 1 1 131 131 GLU H H 1 9.376 0.02 . 1 . . . . 271 Glu H . 25462 1 631 . 1 1 131 131 GLU C C 13 177.673 0.20 . 1 . . . . 271 Glu C . 25462 1 632 . 1 1 131 131 GLU CA C 13 59.670 0.20 . 1 . . . . 271 Glu CA . 25462 1 633 . 1 1 131 131 GLU CB C 13 28.567 0.20 . 1 . . . . 271 Glu CB . 25462 1 634 . 1 1 131 131 GLU N N 15 123.193 0.20 . 1 . . . . 271 Glu N . 25462 1 635 . 1 1 132 132 HIS H H 1 8.401 0.02 . 1 . . . . 272 His H . 25462 1 636 . 1 1 132 132 HIS C C 13 175.789 0.20 . 1 . . . . 272 His C . 25462 1 637 . 1 1 132 132 HIS CA C 13 57.518 0.20 . 1 . . . . 272 His CA . 25462 1 638 . 1 1 132 132 HIS CB C 13 28.631 0.20 . 1 . . . . 272 His CB . 25462 1 639 . 1 1 132 132 HIS N N 15 117.130 0.20 . 1 . . . . 272 His N . 25462 1 640 . 1 1 133 133 ARG H H 1 7.069 0.02 . 1 . . . . 273 Arg H . 25462 1 641 . 1 1 133 133 ARG C C 13 176.638 0.20 . 1 . . . . 273 Arg C . 25462 1 642 . 1 1 133 133 ARG CA C 13 55.611 0.20 . 1 . . . . 273 Arg CA . 25462 1 643 . 1 1 133 133 ARG CB C 13 29.697 0.20 . 1 . . . . 273 Arg CB . 25462 1 644 . 1 1 133 133 ARG N N 15 117.618 0.20 . 1 . . . . 273 Arg N . 25462 1 645 . 1 1 134 134 LEU H H 1 7.086 0.02 . 1 . . . . 274 Leu H . 25462 1 646 . 1 1 134 134 LEU C C 13 177.377 0.20 . 1 . . . . 274 Leu C . 25462 1 647 . 1 1 134 134 LEU CA C 13 54.717 0.20 . 1 . . . . 274 Leu CA . 25462 1 648 . 1 1 134 134 LEU CB C 13 42.028 0.20 . 1 . . . . 274 Leu CB . 25462 1 649 . 1 1 134 134 LEU N N 15 115.775 0.20 . 1 . . . . 274 Leu N . 25462 1 650 . 1 1 135 135 SER H H 1 8.582 0.02 . 1 . . . . 275 Ser H . 25462 1 651 . 1 1 135 135 SER CA C 13 56.953 0.20 . 1 . . . . 275 Ser CA . 25462 1 652 . 1 1 135 135 SER CB C 13 63.828 0.20 . 1 . . . . 275 Ser CB . 25462 1 653 . 1 1 135 135 SER N N 15 118.388 0.20 . 1 . . . . 275 Ser N . 25462 1 654 . 1 1 136 136 PRO C C 13 177.089 0.20 . 1 . . . . 276 Pro C . 25462 1 655 . 1 1 136 136 PRO CA C 13 63.030 0.20 . 1 . . . . 276 Pro CA . 25462 1 656 . 1 1 136 136 PRO CB C 13 32.038 0.20 . 1 . . . . 276 Pro CB . 25462 1 657 . 1 1 137 137 GLU H H 1 8.635 0.02 . 1 . . . . 277 Glu H . 25462 1 658 . 1 1 137 137 GLU C C 13 176.668 0.20 . 1 . . . . 277 Glu C . 25462 1 659 . 1 1 137 137 GLU CA C 13 56.816 0.20 . 1 . . . . 277 Glu CA . 25462 1 660 . 1 1 137 137 GLU CB C 13 29.912 0.20 . 1 . . . . 277 Glu CB . 25462 1 661 . 1 1 137 137 GLU N N 15 121.480 0.20 . 1 . . . . 277 Glu N . 25462 1 662 . 1 1 138 138 GLU H H 1 8.626 0.02 . 1 . . . . 278 Glu H . 25462 1 663 . 1 1 138 138 GLU C C 13 176.874 0.20 . 1 . . . . 278 Glu C . 25462 1 664 . 1 1 138 138 GLU CA C 13 56.863 0.20 . 1 . . . . 278 Glu CA . 25462 1 665 . 1 1 138 138 GLU CB C 13 30.083 0.20 . 1 . . . . 278 Glu CB . 25462 1 666 . 1 1 138 138 GLU N N 15 122.258 0.20 . 1 . . . . 278 Glu N . 25462 1 667 . 1 1 139 139 GLY H H 1 8.431 0.02 . 1 . . . . 279 Gly H . 25462 1 668 . 1 1 139 139 GLY C C 13 173.637 0.20 . 1 . . . . 279 Gly C . 25462 1 669 . 1 1 139 139 GLY CA C 13 45.243 0.20 . 1 . . . . 279 Gly CA . 25462 1 670 . 1 1 139 139 GLY N N 15 110.189 0.20 . 1 . . . . 279 Gly N . 25462 1 671 . 1 1 140 140 ASP H H 1 8.290 0.02 . 1 . . . . 280 Asp H . 25462 1 672 . 1 1 140 140 ASP C C 13 175.199 0.20 . 1 . . . . 280 Asp C . 25462 1 673 . 1 1 140 140 ASP CA C 13 54.375 0.20 . 1 . . . . 280 Asp CA . 25462 1 674 . 1 1 140 140 ASP CB C 13 41.098 0.20 . 1 . . . . 280 Asp CB . 25462 1 675 . 1 1 140 140 ASP N N 15 120.793 0.20 . 1 . . . . 280 Asp N . 25462 1 676 . 1 1 141 141 ASN H H 1 8.020 0.02 . 1 . . . . 281 Asn H . 25462 1 677 . 1 1 141 141 ASN C C 13 179.631 0.20 . 1 . . . . 281 Asn C . 25462 1 678 . 1 1 141 141 ASN CA C 13 54.992 0.20 . 1 . . . . 281 Asn CA . 25462 1 679 . 1 1 141 141 ASN CB C 13 40.257 0.20 . 1 . . . . 281 Asn CB . 25462 1 680 . 1 1 141 141 ASN N N 15 123.982 0.20 . 1 . . . . 281 Asn N . 25462 1 stop_ save_