data_25463 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25463 _Entry.Title ; Backbone Chemical Shift Assignments for the Wild-Type Dimeric 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 . . . . 25463 2 James Aramini . M. . . 25463 3 Li-Chung Ma . . . . 25463 4 Robert Krug . M. . . 25463 5 Gaetano Montelione . T. . . 25463 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25463 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 376 25463 '15N chemical shifts' 135 25463 '1H chemical shifts' 136 25463 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' 25463 1 . . 2015-03-02 2015-02-02 original author 'original release' 25463 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 25462 'NS1B ED mutant monomer' 25463 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 25463 _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. . . 25463 1 2 Rongjin Guan R. . . . 25463 1 3 Keith Hamilton K. . . . 25463 1 4 James Aramini J. M. . . 25463 1 5 Lei Mao L. . . . 25463 1 6 Shanshan Wang S. . . . 25463 1 7 Robert Krug R. M. . . 25463 1 8 Gaetano Montelione G. T. . . 25463 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25463 _Assembly.ID 1 _Assembly.Name 'NS1B ED dimer' _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 'NS1B ED dimer, 1' 1 $NS1B_ED A . yes native no no . . . 25463 1 2 'NS1B ED dimer, 2' 1 $NS1B_ED B . yes native no no . . . 25463 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_NS1B_ED _Entity.Sf_category entity _Entity.Sf_framecode NS1B_ED _Entity.Entry_ID 25463 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 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 KLVATDDLTVEDEKDGHRIL 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 . . . . . . . . . . . . . . 25463 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Evading host response to virus' 25463 1 'RNA binding' 25463 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 . 25463 1 2 142 PRO . 25463 1 3 143 ILE . 25463 1 4 144 GLU . 25463 1 5 145 VAL . 25463 1 6 146 VAL . 25463 1 7 147 LEU . 25463 1 8 148 ARG . 25463 1 9 149 ASP . 25463 1 10 150 MET . 25463 1 11 151 ASN . 25463 1 12 152 ASN . 25463 1 13 153 LYS . 25463 1 14 154 ASP . 25463 1 15 155 ALA . 25463 1 16 156 ARG . 25463 1 17 157 GLN . 25463 1 18 158 LYS . 25463 1 19 159 ILE . 25463 1 20 160 LYS . 25463 1 21 161 ASP . 25463 1 22 162 GLU . 25463 1 23 163 VAL . 25463 1 24 164 ASN . 25463 1 25 165 THR . 25463 1 26 166 GLN . 25463 1 27 167 LYS . 25463 1 28 168 GLU . 25463 1 29 169 GLY . 25463 1 30 170 LYS . 25463 1 31 171 PHE . 25463 1 32 172 ARG . 25463 1 33 173 LEU . 25463 1 34 174 THR . 25463 1 35 175 ILE . 25463 1 36 176 LYS . 25463 1 37 177 ARG . 25463 1 38 178 ASP . 25463 1 39 179 ILE . 25463 1 40 180 ARG . 25463 1 41 181 ASN . 25463 1 42 182 VAL . 25463 1 43 183 LEU . 25463 1 44 184 SER . 25463 1 45 185 LEU . 25463 1 46 186 ARG . 25463 1 47 187 VAL . 25463 1 48 188 LEU . 25463 1 49 189 VAL . 25463 1 50 190 ASN . 25463 1 51 191 GLY . 25463 1 52 192 THR . 25463 1 53 193 PHE . 25463 1 54 194 LEU . 25463 1 55 195 LYS . 25463 1 56 196 HIS . 25463 1 57 197 PRO . 25463 1 58 198 ASN . 25463 1 59 199 GLY . 25463 1 60 200 ASP . 25463 1 61 201 LYS . 25463 1 62 202 SER . 25463 1 63 203 LEU . 25463 1 64 204 SER . 25463 1 65 205 THR . 25463 1 66 206 LEU . 25463 1 67 207 HIS . 25463 1 68 208 ARG . 25463 1 69 209 LEU . 25463 1 70 210 ASN . 25463 1 71 211 ALA . 25463 1 72 212 TYR . 25463 1 73 213 ASP . 25463 1 74 214 GLN . 25463 1 75 215 ASN . 25463 1 76 216 GLY . 25463 1 77 217 GLY . 25463 1 78 218 LEU . 25463 1 79 219 VAL . 25463 1 80 220 ALA . 25463 1 81 221 LYS . 25463 1 82 222 LEU . 25463 1 83 223 VAL . 25463 1 84 224 ALA . 25463 1 85 225 THR . 25463 1 86 226 ASP . 25463 1 87 227 ASP . 25463 1 88 228 LEU . 25463 1 89 229 THR . 25463 1 90 230 VAL . 25463 1 91 231 GLU . 25463 1 92 232 ASP . 25463 1 93 233 GLU . 25463 1 94 234 LYS . 25463 1 95 235 ASP . 25463 1 96 236 GLY . 25463 1 97 237 HIS . 25463 1 98 238 ARG . 25463 1 99 239 ILE . 25463 1 100 240 LEU . 25463 1 101 241 ASN . 25463 1 102 242 SER . 25463 1 103 243 LEU . 25463 1 104 244 PHE . 25463 1 105 245 GLU . 25463 1 106 246 ARG . 25463 1 107 247 PHE . 25463 1 108 248 ASP . 25463 1 109 249 GLU . 25463 1 110 250 GLY . 25463 1 111 251 HIS . 25463 1 112 252 SER . 25463 1 113 253 LYS . 25463 1 114 254 PRO . 25463 1 115 255 ILE . 25463 1 116 256 ARG . 25463 1 117 257 ALA . 25463 1 118 258 ALA . 25463 1 119 259 GLU . 25463 1 120 260 THR . 25463 1 121 261 ALA . 25463 1 122 262 VAL . 25463 1 123 263 GLY . 25463 1 124 264 VAL . 25463 1 125 265 LEU . 25463 1 126 266 SER . 25463 1 127 267 GLN . 25463 1 128 268 PHE . 25463 1 129 269 GLY . 25463 1 130 270 GLN . 25463 1 131 271 GLU . 25463 1 132 272 HIS . 25463 1 133 273 ARG . 25463 1 134 274 LEU . 25463 1 135 275 SER . 25463 1 136 276 PRO . 25463 1 137 277 GLU . 25463 1 138 278 GLU . 25463 1 139 279 GLY . 25463 1 140 280 ASP . 25463 1 141 281 ASN . 25463 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 25463 1 . PRO 2 2 25463 1 . ILE 3 3 25463 1 . GLU 4 4 25463 1 . VAL 5 5 25463 1 . VAL 6 6 25463 1 . LEU 7 7 25463 1 . ARG 8 8 25463 1 . ASP 9 9 25463 1 . MET 10 10 25463 1 . ASN 11 11 25463 1 . ASN 12 12 25463 1 . LYS 13 13 25463 1 . ASP 14 14 25463 1 . ALA 15 15 25463 1 . ARG 16 16 25463 1 . GLN 17 17 25463 1 . LYS 18 18 25463 1 . ILE 19 19 25463 1 . LYS 20 20 25463 1 . ASP 21 21 25463 1 . GLU 22 22 25463 1 . VAL 23 23 25463 1 . ASN 24 24 25463 1 . THR 25 25 25463 1 . GLN 26 26 25463 1 . LYS 27 27 25463 1 . GLU 28 28 25463 1 . GLY 29 29 25463 1 . LYS 30 30 25463 1 . PHE 31 31 25463 1 . ARG 32 32 25463 1 . LEU 33 33 25463 1 . THR 34 34 25463 1 . ILE 35 35 25463 1 . LYS 36 36 25463 1 . ARG 37 37 25463 1 . ASP 38 38 25463 1 . ILE 39 39 25463 1 . ARG 40 40 25463 1 . ASN 41 41 25463 1 . VAL 42 42 25463 1 . LEU 43 43 25463 1 . SER 44 44 25463 1 . LEU 45 45 25463 1 . ARG 46 46 25463 1 . VAL 47 47 25463 1 . LEU 48 48 25463 1 . VAL 49 49 25463 1 . ASN 50 50 25463 1 . GLY 51 51 25463 1 . THR 52 52 25463 1 . PHE 53 53 25463 1 . LEU 54 54 25463 1 . LYS 55 55 25463 1 . HIS 56 56 25463 1 . PRO 57 57 25463 1 . ASN 58 58 25463 1 . GLY 59 59 25463 1 . ASP 60 60 25463 1 . LYS 61 61 25463 1 . SER 62 62 25463 1 . LEU 63 63 25463 1 . SER 64 64 25463 1 . THR 65 65 25463 1 . LEU 66 66 25463 1 . HIS 67 67 25463 1 . ARG 68 68 25463 1 . LEU 69 69 25463 1 . ASN 70 70 25463 1 . ALA 71 71 25463 1 . TYR 72 72 25463 1 . ASP 73 73 25463 1 . GLN 74 74 25463 1 . ASN 75 75 25463 1 . GLY 76 76 25463 1 . GLY 77 77 25463 1 . LEU 78 78 25463 1 . VAL 79 79 25463 1 . ALA 80 80 25463 1 . LYS 81 81 25463 1 . LEU 82 82 25463 1 . VAL 83 83 25463 1 . ALA 84 84 25463 1 . THR 85 85 25463 1 . ASP 86 86 25463 1 . ASP 87 87 25463 1 . LEU 88 88 25463 1 . THR 89 89 25463 1 . VAL 90 90 25463 1 . GLU 91 91 25463 1 . ASP 92 92 25463 1 . GLU 93 93 25463 1 . LYS 94 94 25463 1 . ASP 95 95 25463 1 . GLY 96 96 25463 1 . HIS 97 97 25463 1 . ARG 98 98 25463 1 . ILE 99 99 25463 1 . LEU 100 100 25463 1 . ASN 101 101 25463 1 . SER 102 102 25463 1 . LEU 103 103 25463 1 . PHE 104 104 25463 1 . GLU 105 105 25463 1 . ARG 106 106 25463 1 . PHE 107 107 25463 1 . ASP 108 108 25463 1 . GLU 109 109 25463 1 . GLY 110 110 25463 1 . HIS 111 111 25463 1 . SER 112 112 25463 1 . LYS 113 113 25463 1 . PRO 114 114 25463 1 . ILE 115 115 25463 1 . ARG 116 116 25463 1 . ALA 117 117 25463 1 . ALA 118 118 25463 1 . GLU 119 119 25463 1 . THR 120 120 25463 1 . ALA 121 121 25463 1 . VAL 122 122 25463 1 . GLY 123 123 25463 1 . VAL 124 124 25463 1 . LEU 125 125 25463 1 . SER 126 126 25463 1 . GLN 127 127 25463 1 . PHE 128 128 25463 1 . GLY 129 129 25463 1 . GLN 130 130 25463 1 . GLU 131 131 25463 1 . HIS 132 132 25463 1 . ARG 133 133 25463 1 . LEU 134 134 25463 1 . SER 135 135 25463 1 . PRO 136 136 25463 1 . GLU 137 137 25463 1 . GLU 138 138 25463 1 . GLY 139 139 25463 1 . ASP 140 140 25463 1 . ASN 141 141 25463 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 25463 _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 $NS1B_ED . 11520 virus . 'Influenza B virus' 'Influenza B virus' . . Viruses . 'Influenzavirus B' 'Influenza B virus' B/Lee/1940 . . . . . . . . . . NS . 25463 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 25463 _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 $NS1B_ED . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) . . . . . pSUMO . . . 25463 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 25463 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'ILV-labeled 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 'NS1B ED' '[U-13C; U-15N; U-2H; 1H-Ile-delta1,Leu-delta,Val-gamma]' . . 1 $NS1B_ED . . 25 . . mM . . . . 25463 1 2 'sodium chloride' 'natural abundance' . . . . . . 450 . . mM . . . . 25463 1 3 'calcium chloride' 'natural abundance' . . . . . . 5 . . mM . . . . 25463 1 4 arginine 'natural abundance' . . . . . . 50 . . mM . . . . 25463 1 5 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 25463 1 6 H2O 'natural abundance' . . . . . . 90 . . % . . . . 25463 1 7 D2O 'natural abundance' . . . . . . 10 . . % . . . . 25463 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 25463 _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 25463 1 pH 5.5 . pH 25463 1 pressure 1 . atm 25463 1 temperature 298 . K 25463 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 25463 _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' . . 25463 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data collection' 25463 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 25463 _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' . . 25463 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data processing' 25463 2 stop_ save_ save_PINE _Software.Sf_category software _Software.Sf_framecode PINE _Software.Entry_ID 25463 _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' . . 25463 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 25463 3 stop_ save_ save_AutoAssign _Software.Sf_category software _Software.Sf_framecode AutoAssign _Software.Entry_ID 25463 _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' . . 25463 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 25463 4 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 25463 _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' . . 25463 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift validation' 25463 5 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 25463 _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 . . 25463 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 25463 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 25463 _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 25463 _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 ; . . 25463 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 25463 _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-HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25463 1 2 '3D TROSY-HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25463 1 3 '3D TROSY-HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25463 1 4 '3D TROSY-HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25463 1 5 '3D TROSY-HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25463 1 6 '3D TROSY-HN(CO)CACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25463 1 7 '3D TROSY-HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25463 1 8 '3D 1H-15N NOESY-TROSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25463 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 25463 _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 . . . . . 25463 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.0 . . . . . 25463 1 N 15 DSS 'methyl protons' . . . . ppm 0 internal indirect 0.101329118 . . . . . 25463 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 25463 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N TROSY-HSQC' . . . 25463 1 2 '3D TROSY-HNCO' . . . 25463 1 3 '3D TROSY-HN(CA)CO' . . . 25463 1 4 '3D TROSY-HN(CO)CA' . . . 25463 1 5 '3D TROSY-HNCA' . . . 25463 1 6 '3D TROSY-HN(CO)CACB' . . . 25463 1 7 '3D TROSY-HNCACB' . . . 25463 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 . . 25463 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 13 175.935 0.20 . 1 . . . . 2 Pro C . 25463 1 2 . 1 1 2 2 PRO CA C 13 62.478 0.20 . 1 . . . . 2 Pro CA . 25463 1 3 . 1 1 2 2 PRO CB C 13 31.460 0.20 . 1 . . . . 2 Pro CB . 25463 1 4 . 1 1 3 3 ILE H H 1 8.280 0.02 . 1 . . . . 3 Ile H . 25463 1 5 . 1 1 3 3 ILE C C 13 174.690 0.20 . 1 . . . . 3 Ile C . 25463 1 6 . 1 1 3 3 ILE CA C 13 60.068 0.20 . 1 . . . . 3 Ile CA . 25463 1 7 . 1 1 3 3 ILE CB C 13 38.950 0.20 . 1 . . . . 3 Ile CB . 25463 1 8 . 1 1 3 3 ILE N N 15 120.612 0.20 . 1 . . . . 3 Ile N . 25463 1 9 . 1 1 4 4 GLU H H 1 8.358 0.02 . 1 . . . . 4 Glu H . 25463 1 10 . 1 1 4 4 GLU C C 13 176.711 0.20 . 1 . . . . 4 Glu C . 25463 1 11 . 1 1 4 4 GLU CA C 13 54.957 0.20 . 1 . . . . 4 Glu CA . 25463 1 12 . 1 1 4 4 GLU CB C 13 30.492 0.20 . 1 . . . . 4 Glu CB . 25463 1 13 . 1 1 4 4 GLU N N 15 124.783 0.20 . 1 . . . . 4 Glu N . 25463 1 14 . 1 1 5 5 VAL H H 1 9.369 0.02 . 1 . . . . 5 Val H . 25463 1 15 . 1 1 5 5 VAL C C 13 173.807 0.20 . 1 . . . . 5 Val C . 25463 1 16 . 1 1 5 5 VAL CA C 13 59.433 0.20 . 1 . . . . 5 Val CA . 25463 1 17 . 1 1 5 5 VAL CB C 13 34.748 0.20 . 1 . . . . 5 Val CB . 25463 1 18 . 1 1 5 5 VAL N N 15 120.991 0.20 . 1 . . . . 5 Val N . 25463 1 19 . 1 1 6 6 VAL H H 1 8.717 0.02 . 1 . . . . 6 Val H . 25463 1 20 . 1 1 6 6 VAL C C 13 175.457 0.20 . 1 . . . . 6 Val C . 25463 1 21 . 1 1 6 6 VAL CA C 13 62.110 0.20 . 1 . . . . 6 Val CA . 25463 1 22 . 1 1 6 6 VAL CB C 13 31.470 0.20 . 1 . . . . 6 Val CB . 25463 1 23 . 1 1 6 6 VAL N N 15 127.537 0.20 . 1 . . . . 6 Val N . 25463 1 24 . 1 1 7 7 LEU H H 1 8.950 0.02 . 1 . . . . 7 Leu H . 25463 1 25 . 1 1 7 7 LEU C C 13 174.982 0.20 . 1 . . . . 7 Leu C . 25463 1 26 . 1 1 7 7 LEU CA C 13 53.722 0.20 . 1 . . . . 7 Leu CA . 25463 1 27 . 1 1 7 7 LEU CB C 13 43.075 0.20 . 1 . . . . 7 Leu CB . 25463 1 28 . 1 1 7 7 LEU N N 15 130.134 0.20 . 1 . . . . 7 Leu N . 25463 1 29 . 1 1 8 8 ARG H H 1 8.391 0.02 . 1 . . . . 8 Arg H . 25463 1 30 . 1 1 8 8 ARG C C 13 176.051 0.20 . 1 . . . . 8 Arg C . 25463 1 31 . 1 1 8 8 ARG CA C 13 54.732 0.20 . 1 . . . . 8 Arg CA . 25463 1 32 . 1 1 8 8 ARG CB C 13 32.739 0.20 . 1 . . . . 8 Arg CB . 25463 1 33 . 1 1 8 8 ARG N N 15 119.595 0.20 . 1 . . . . 8 Arg N . 25463 1 34 . 1 1 9 9 ASP H H 1 8.759 0.02 . 1 . . . . 9 Asp H . 25463 1 35 . 1 1 9 9 ASP C C 13 176.510 0.20 . 1 . . . . 9 Asp C . 25463 1 36 . 1 1 9 9 ASP CA C 13 54.708 0.20 . 1 . . . . 9 Asp CA . 25463 1 37 . 1 1 9 9 ASP CB C 13 43.803 0.20 . 1 . . . . 9 Asp CB . 25463 1 38 . 1 1 9 9 ASP N N 15 122.878 0.20 . 1 . . . . 9 Asp N . 25463 1 39 . 1 1 10 10 MET H H 1 9.239 0.02 . 1 . . . . 10 Met H . 25463 1 40 . 1 1 10 10 MET C C 13 176.343 0.20 . 1 . . . . 10 Met C . 25463 1 41 . 1 1 10 10 MET CA C 13 53.872 0.20 . 1 . . . . 10 Met CA . 25463 1 42 . 1 1 10 10 MET CB C 13 36.901 0.20 . 1 . . . . 10 Met CB . 25463 1 43 . 1 1 10 10 MET N N 15 119.013 0.20 . 1 . . . . 10 Met N . 25463 1 44 . 1 1 11 11 ASN H H 1 9.044 0.02 . 1 . . . . 11 Asn H . 25463 1 45 . 1 1 11 11 ASN HD21 H 1 7.459 0.02 . 1 . . . . 11 Asn HD21 . 25463 1 46 . 1 1 11 11 ASN HD22 H 1 6.792 0.02 . 1 . . . . 11 Asn HD22 . 25463 1 47 . 1 1 11 11 ASN C C 13 174.968 0.20 . 1 . . . . 11 Asn C . 25463 1 48 . 1 1 11 11 ASN CA C 13 51.934 0.20 . 1 . . . . 11 Asn CA . 25463 1 49 . 1 1 11 11 ASN CB C 13 37.476 0.20 . 1 . . . . 11 Asn CB . 25463 1 50 . 1 1 11 11 ASN N N 15 120.531 0.20 . 1 . . . . 11 Asn N . 25463 1 51 . 1 1 11 11 ASN ND2 N 15 113.511 0.20 . 1 . . . . 11 Asn ND2 . 25463 1 52 . 1 1 12 12 ASN H H 1 8.427 0.02 . 1 . . . . 12 Asn H . 25463 1 53 . 1 1 12 12 ASN C C 13 177.073 0.20 . 1 . . . . 12 Asn C . 25463 1 54 . 1 1 12 12 ASN CA C 13 55.737 0.20 . 1 . . . . 12 Asn CA . 25463 1 55 . 1 1 12 12 ASN CB C 13 37.394 0.20 . 1 . . . . 12 Asn CB . 25463 1 56 . 1 1 12 12 ASN N N 15 116.985 0.20 . 1 . . . . 12 Asn N . 25463 1 57 . 1 1 13 13 LYS H H 1 7.994 0.02 . 1 . . . . 13 Lys H . 25463 1 58 . 1 1 13 13 LYS C C 13 179.660 0.20 . 1 . . . . 13 Lys C . 25463 1 59 . 1 1 13 13 LYS CA C 13 59.102 0.20 . 1 . . . . 13 Lys CA . 25463 1 60 . 1 1 13 13 LYS CB C 13 30.781 0.20 . 1 . . . . 13 Lys CB . 25463 1 61 . 1 1 13 13 LYS N N 15 120.636 0.20 . 1 . . . . 13 Lys N . 25463 1 62 . 1 1 14 14 ASP H H 1 8.465 0.02 . 1 . . . . 14 Asp H . 25463 1 63 . 1 1 14 14 ASP C C 13 178.963 0.20 . 1 . . . . 14 Asp C . 25463 1 64 . 1 1 14 14 ASP CA C 13 56.592 0.20 . 1 . . . . 14 Asp CA . 25463 1 65 . 1 1 14 14 ASP CB C 13 39.087 0.20 . 1 . . . . 14 Asp CB . 25463 1 66 . 1 1 14 14 ASP N N 15 121.869 0.20 . 1 . . . . 14 Asp N . 25463 1 67 . 1 1 15 15 ALA H H 1 7.878 0.02 . 1 . . . . 15 Ala H . 25463 1 68 . 1 1 15 15 ALA C C 13 176.851 0.20 . 1 . . . . 15 Ala C . 25463 1 69 . 1 1 15 15 ALA CA C 13 53.777 0.20 . 1 . . . . 15 Ala CA . 25463 1 70 . 1 1 15 15 ALA CB C 13 17.580 0.20 . 1 . . . . 15 Ala CB . 25463 1 71 . 1 1 15 15 ALA N N 15 120.314 0.20 . 1 . . . . 15 Ala N . 25463 1 72 . 1 1 16 16 ARG H H 1 7.169 0.02 . 1 . . . . 16 Arg H . 25463 1 73 . 1 1 16 16 ARG C C 13 177.079 0.20 . 1 . . . . 16 Arg C . 25463 1 74 . 1 1 16 16 ARG CA C 13 54.776 0.20 . 1 . . . . 16 Arg CA . 25463 1 75 . 1 1 16 16 ARG CB C 13 29.559 0.20 . 1 . . . . 16 Arg CB . 25463 1 76 . 1 1 16 16 ARG N N 15 113.187 0.20 . 1 . . . . 16 Arg N . 25463 1 77 . 1 1 17 17 GLN H H 1 7.193 0.02 . 1 . . . . 17 Gln H . 25463 1 78 . 1 1 17 17 GLN C C 13 175.200 0.20 . 1 . . . . 17 Gln C . 25463 1 79 . 1 1 17 17 GLN CA C 13 56.803 0.20 . 1 . . . . 17 Gln CA . 25463 1 80 . 1 1 17 17 GLN CB C 13 28.958 0.20 . 1 . . . . 17 Gln CB . 25463 1 81 . 1 1 17 17 GLN N N 15 122.790 0.20 . 1 . . . . 17 Gln N . 25463 1 82 . 1 1 18 18 LYS H H 1 8.416 0.02 . 1 . . . . 18 Lys H . 25463 1 83 . 1 1 18 18 LYS C C 13 176.142 0.20 . 1 . . . . 18 Lys C . 25463 1 84 . 1 1 18 18 LYS CA C 13 54.470 0.20 . 1 . . . . 18 Lys CA . 25463 1 85 . 1 1 18 18 LYS CB C 13 33.647 0.20 . 1 . . . . 18 Lys CB . 25463 1 86 . 1 1 18 18 LYS N N 15 123.782 0.20 . 1 . . . . 18 Lys N . 25463 1 87 . 1 1 19 19 ILE H H 1 8.576 0.02 . 1 . . . . 19 Ile H . 25463 1 88 . 1 1 19 19 ILE C C 13 176.117 0.20 . 1 . . . . 19 Ile C . 25463 1 89 . 1 1 19 19 ILE CA C 13 61.718 0.20 . 1 . . . . 19 Ile CA . 25463 1 90 . 1 1 19 19 ILE CB C 13 37.509 0.20 . 1 . . . . 19 Ile CB . 25463 1 91 . 1 1 19 19 ILE N N 15 123.806 0.20 . 1 . . . . 19 Ile N . 25463 1 92 . 1 1 20 20 LYS H H 1 8.564 0.02 . 1 . . . . 20 Lys H . 25463 1 93 . 1 1 20 20 LYS C C 13 175.614 0.20 . 1 . . . . 20 Lys C . 25463 1 94 . 1 1 20 20 LYS CA C 13 56.089 0.20 . 1 . . . . 20 Lys CA . 25463 1 95 . 1 1 20 20 LYS CB C 13 31.634 0.20 . 1 . . . . 20 Lys CB . 25463 1 96 . 1 1 20 20 LYS N N 15 128.717 0.20 . 1 . . . . 20 Lys N . 25463 1 97 . 1 1 21 21 ASP H H 1 7.568 0.02 . 1 . . . . 21 Asp H . 25463 1 98 . 1 1 21 21 ASP C C 13 174.464 0.20 . 1 . . . . 21 Asp C . 25463 1 99 . 1 1 21 21 ASP CA C 13 53.731 0.20 . 1 . . . . 21 Asp CA . 25463 1 100 . 1 1 21 21 ASP CB C 13 41.752 0.20 . 1 . . . . 21 Asp CB . 25463 1 101 . 1 1 21 21 ASP N N 15 117.430 0.20 . 1 . . . . 21 Asp N . 25463 1 102 . 1 1 22 22 GLU H H 1 8.490 0.02 . 1 . . . . 22 Glu H . 25463 1 103 . 1 1 22 22 GLU C C 13 177.812 0.20 . 1 . . . . 22 Glu C . 25463 1 104 . 1 1 22 22 GLU CA C 13 57.373 0.20 . 1 . . . . 22 Glu CA . 25463 1 105 . 1 1 22 22 GLU CB C 13 28.730 0.20 . 1 . . . . 22 Glu CB . 25463 1 106 . 1 1 22 22 GLU N N 15 118.107 0.20 . 1 . . . . 22 Glu N . 25463 1 107 . 1 1 23 23 VAL H H 1 8.472 0.02 . 1 . . . . 23 Val H . 25463 1 108 . 1 1 23 23 VAL C C 13 175.801 0.20 . 1 . . . . 23 Val C . 25463 1 109 . 1 1 23 23 VAL CA C 13 59.157 0.20 . 1 . . . . 23 Val CA . 25463 1 110 . 1 1 23 23 VAL CB C 13 35.809 0.20 . 1 . . . . 23 Val CB . 25463 1 111 . 1 1 23 23 VAL N N 15 114.713 0.20 . 1 . . . . 23 Val N . 25463 1 112 . 1 1 24 24 ASN H H 1 9.069 0.02 . 1 . . . . 24 Asn H . 25463 1 113 . 1 1 24 24 ASN N N 15 118.532 0.20 . 1 . . . . 24 Asn N . 25463 1 114 . 1 1 25 25 THR H H 1 8.513 0.02 . 1 . . . . 25 Thr H . 25463 1 115 . 1 1 25 25 THR N N 15 113.419 0.20 . 1 . . . . 25 Thr N . 25463 1 116 . 1 1 26 26 GLN H H 1 8.924 0.02 . 1 . . . . 26 Gln H . 25463 1 117 . 1 1 26 26 GLN N N 15 123.332 0.20 . 1 . . . . 26 Gln N . 25463 1 118 . 1 1 27 27 LYS H H 1 8.955 0.02 . 1 . . . . 27 Lys H . 25463 1 119 . 1 1 27 27 LYS N N 15 124.697 0.20 . 1 . . . . 27 Lys N . 25463 1 120 . 1 1 28 28 GLU H H 1 8.054 0.02 . 1 . . . . 28 Glu H . 25463 1 121 . 1 1 28 28 GLU N N 15 123.514 0.20 . 1 . . . . 28 Glu N . 25463 1 122 . 1 1 29 29 GLY H H 1 8.903 0.02 . 1 . . . . 29 Gly H . 25463 1 123 . 1 1 29 29 GLY C C 13 176.084 0.20 . 1 . . . . 29 Gly C . 25463 1 124 . 1 1 29 29 GLY CA C 13 46.481 0.20 . 1 . . . . 29 Gly CA . 25463 1 125 . 1 1 29 29 GLY N N 15 116.210 0.20 . 1 . . . . 29 Gly N . 25463 1 126 . 1 1 30 30 LYS H H 1 9.575 0.02 . 1 . . . . 30 Lys H . 25463 1 127 . 1 1 30 30 LYS C C 13 176.171 0.20 . 1 . . . . 30 Lys C . 25463 1 128 . 1 1 30 30 LYS CA C 13 57.357 0.20 . 1 . . . . 30 Lys CA . 25463 1 129 . 1 1 30 30 LYS CB C 13 34.176 0.20 . 1 . . . . 30 Lys CB . 25463 1 130 . 1 1 30 30 LYS N N 15 128.442 0.20 . 1 . . . . 30 Lys N . 25463 1 131 . 1 1 31 31 PHE H H 1 8.455 0.02 . 1 . . . . 31 Phe H . 25463 1 132 . 1 1 31 31 PHE C C 13 176.598 0.20 . 1 . . . . 31 Phe C . 25463 1 133 . 1 1 31 31 PHE CA C 13 58.559 0.20 . 1 . . . . 31 Phe CA . 25463 1 134 . 1 1 31 31 PHE CB C 13 40.497 0.20 . 1 . . . . 31 Phe CB . 25463 1 135 . 1 1 31 31 PHE N N 15 115.815 0.20 . 1 . . . . 31 Phe N . 25463 1 136 . 1 1 32 32 ARG H H 1 8.855 0.02 . 1 . . . . 32 Arg H . 25463 1 137 . 1 1 32 32 ARG C C 13 174.438 0.20 . 1 . . . . 32 Arg C . 25463 1 138 . 1 1 32 32 ARG CA C 13 54.441 0.20 . 1 . . . . 32 Arg CA . 25463 1 139 . 1 1 32 32 ARG CB C 13 30.626 0.20 . 1 . . . . 32 Arg CB . 25463 1 140 . 1 1 32 32 ARG N N 15 121.161 0.20 . 1 . . . . 32 Arg N . 25463 1 141 . 1 1 33 33 LEU H H 1 9.322 0.02 . 1 . . . . 33 Leu H . 25463 1 142 . 1 1 33 33 LEU C C 13 174.769 0.20 . 1 . . . . 33 Leu C . 25463 1 143 . 1 1 33 33 LEU CA C 13 53.139 0.20 . 1 . . . . 33 Leu CA . 25463 1 144 . 1 1 33 33 LEU CB C 13 45.135 0.20 . 1 . . . . 33 Leu CB . 25463 1 145 . 1 1 33 33 LEU N N 15 130.961 0.20 . 1 . . . . 33 Leu N . 25463 1 146 . 1 1 34 34 THR H H 1 9.211 0.02 . 1 . . . . 34 Thr H . 25463 1 147 . 1 1 34 34 THR C C 13 172.575 0.20 . 1 . . . . 34 Thr C . 25463 1 148 . 1 1 34 34 THR CA C 13 61.944 0.20 . 1 . . . . 34 Thr CA . 25463 1 149 . 1 1 34 34 THR CB C 13 69.552 0.20 . 1 . . . . 34 Thr CB . 25463 1 150 . 1 1 34 34 THR N N 15 124.829 0.20 . 1 . . . . 34 Thr N . 25463 1 151 . 1 1 35 35 ILE H H 1 9.004 0.02 . 1 . . . . 35 Ile H . 25463 1 152 . 1 1 35 35 ILE C C 13 173.639 0.20 . 1 . . . . 35 Ile C . 25463 1 153 . 1 1 35 35 ILE CA C 13 58.382 0.20 . 1 . . . . 35 Ile CA . 25463 1 154 . 1 1 35 35 ILE CB C 13 41.431 0.20 . 1 . . . . 35 Ile CB . 25463 1 155 . 1 1 35 35 ILE N N 15 124.073 0.20 . 1 . . . . 35 Ile N . 25463 1 156 . 1 1 36 36 LYS H H 1 8.459 0.02 . 1 . . . . 36 Lys H . 25463 1 157 . 1 1 36 36 LYS C C 13 176.611 0.20 . 1 . . . . 36 Lys C . 25463 1 158 . 1 1 36 36 LYS CA C 13 57.674 0.20 . 1 . . . . 36 Lys CA . 25463 1 159 . 1 1 36 36 LYS CB C 13 32.474 0.20 . 1 . . . . 36 Lys CB . 25463 1 160 . 1 1 36 36 LYS N N 15 126.665 0.20 . 1 . . . . 36 Lys N . 25463 1 161 . 1 1 37 37 ARG H H 1 8.346 0.02 . 1 . . . . 37 Arg H . 25463 1 162 . 1 1 37 37 ARG C C 13 176.952 0.20 . 1 . . . . 37 Arg C . 25463 1 163 . 1 1 37 37 ARG CA C 13 59.171 0.20 . 1 . . . . 37 Arg CA . 25463 1 164 . 1 1 37 37 ARG CB C 13 28.761 0.20 . 1 . . . . 37 Arg CB . 25463 1 165 . 1 1 37 37 ARG N N 15 124.150 0.20 . 1 . . . . 37 Arg N . 25463 1 166 . 1 1 38 38 ASP H H 1 8.348 0.02 . 1 . . . . 38 Asp H . 25463 1 167 . 1 1 38 38 ASP C C 13 176.464 0.20 . 1 . . . . 38 Asp C . 25463 1 168 . 1 1 38 38 ASP CA C 13 52.559 0.20 . 1 . . . . 38 Asp CA . 25463 1 169 . 1 1 38 38 ASP CB C 13 39.083 0.20 . 1 . . . . 38 Asp CB . 25463 1 170 . 1 1 38 38 ASP N N 15 117.517 0.20 . 1 . . . . 38 Asp N . 25463 1 171 . 1 1 39 39 ILE H H 1 7.677 0.02 . 1 . . . . 39 Ile H . 25463 1 172 . 1 1 39 39 ILE C C 13 175.944 0.20 . 1 . . . . 39 Ile C . 25463 1 173 . 1 1 39 39 ILE CA C 13 61.534 0.20 . 1 . . . . 39 Ile CA . 25463 1 174 . 1 1 39 39 ILE CB C 13 44.793 0.20 . 1 . . . . 39 Ile CB . 25463 1 175 . 1 1 39 39 ILE N N 15 119.669 0.20 . 1 . . . . 39 Ile N . 25463 1 176 . 1 1 40 40 ARG H H 1 8.230 0.02 . 1 . . . . 40 Arg H . 25463 1 177 . 1 1 40 40 ARG C C 13 176.702 0.20 . 1 . . . . 40 Arg C . 25463 1 178 . 1 1 40 40 ARG CA C 13 57.479 0.20 . 1 . . . . 40 Arg CA . 25463 1 179 . 1 1 40 40 ARG N N 15 122.486 0.20 . 1 . . . . 40 Arg N . 25463 1 180 . 1 1 41 41 ASN H H 1 8.144 0.02 . 1 . . . . 41 Asn H . 25463 1 181 . 1 1 41 41 ASN C C 13 175.931 0.20 . 1 . . . . 41 Asn C . 25463 1 182 . 1 1 41 41 ASN CA C 13 52.558 0.20 . 1 . . . . 41 Asn CA . 25463 1 183 . 1 1 41 41 ASN CB C 13 37.676 0.20 . 1 . . . . 41 Asn CB . 25463 1 184 . 1 1 41 41 ASN N N 15 114.213 0.20 . 1 . . . . 41 Asn N . 25463 1 185 . 1 1 42 42 VAL H H 1 7.754 0.02 . 1 . . . . 42 Val H . 25463 1 186 . 1 1 42 42 VAL CA C 13 63.423 0.20 . 1 . . . . 42 Val CA . 25463 1 187 . 1 1 42 42 VAL N N 15 122.379 0.20 . 1 . . . . 42 Val N . 25463 1 188 . 1 1 43 43 LEU C C 13 176.615 0.20 . 1 . . . . 43 Leu C . 25463 1 189 . 1 1 43 43 LEU CA C 13 56.159 0.20 . 1 . . . . 43 Leu CA . 25463 1 190 . 1 1 43 43 LEU CB C 13 42.587 0.20 . 1 . . . . 43 Leu CB . 25463 1 191 . 1 1 44 44 SER H H 1 7.674 0.02 . 1 . . . . 44 Ser H . 25463 1 192 . 1 1 44 44 SER C C 13 170.936 0.20 . 1 . . . . 44 Ser C . 25463 1 193 . 1 1 44 44 SER CA C 13 56.600 0.20 . 1 . . . . 44 Ser CA . 25463 1 194 . 1 1 44 44 SER CB C 13 64.380 0.20 . 1 . . . . 44 Ser CB . 25463 1 195 . 1 1 44 44 SER N N 15 110.796 0.20 . 1 . . . . 44 Ser N . 25463 1 196 . 1 1 45 45 LEU H H 1 8.051 0.02 . 1 . . . . 45 Leu H . 25463 1 197 . 1 1 45 45 LEU C C 13 176.484 0.20 . 1 . . . . 45 Leu C . 25463 1 198 . 1 1 45 45 LEU CA C 13 52.390 0.20 . 1 . . . . 45 Leu CA . 25463 1 199 . 1 1 45 45 LEU CB C 13 47.037 0.20 . 1 . . . . 45 Leu CB . 25463 1 200 . 1 1 45 45 LEU N N 15 117.351 0.20 . 1 . . . . 45 Leu N . 25463 1 201 . 1 1 46 46 ARG H H 1 8.906 0.02 . 1 . . . . 46 Arg H . 25463 1 202 . 1 1 46 46 ARG C C 13 175.595 0.20 . 1 . . . . 46 Arg C . 25463 1 203 . 1 1 46 46 ARG CA C 13 54.318 0.20 . 1 . . . . 46 Arg CA . 25463 1 204 . 1 1 46 46 ARG CB C 13 31.444 0.20 . 1 . . . . 46 Arg CB . 25463 1 205 . 1 1 46 46 ARG N N 15 125.253 0.20 . 1 . . . . 46 Arg N . 25463 1 206 . 1 1 47 47 VAL H H 1 9.018 0.02 . 1 . . . . 47 Val H . 25463 1 207 . 1 1 47 47 VAL C C 13 173.214 0.20 . 1 . . . . 47 Val C . 25463 1 208 . 1 1 47 47 VAL CA C 13 61.688 0.20 . 1 . . . . 47 Val CA . 25463 1 209 . 1 1 47 47 VAL CB C 13 32.392 0.20 . 1 . . . . 47 Val CB . 25463 1 210 . 1 1 47 47 VAL N N 15 126.582 0.20 . 1 . . . . 47 Val N . 25463 1 211 . 1 1 48 48 LEU H H 1 9.011 0.02 . 1 . . . . 48 Leu H . 25463 1 212 . 1 1 48 48 LEU C C 13 175.924 0.20 . 1 . . . . 48 Leu C . 25463 1 213 . 1 1 48 48 LEU CA C 13 55.022 0.20 . 1 . . . . 48 Leu CA . 25463 1 214 . 1 1 48 48 LEU CB C 13 45.218 0.20 . 1 . . . . 48 Leu CB . 25463 1 215 . 1 1 48 48 LEU N N 15 127.344 0.20 . 1 . . . . 48 Leu N . 25463 1 216 . 1 1 49 49 VAL H H 1 10.334 0.02 . 1 . . . . 49 Val H . 25463 1 217 . 1 1 49 49 VAL C C 13 173.062 0.20 . 1 . . . . 49 Val C . 25463 1 218 . 1 1 49 49 VAL CA C 13 60.780 0.20 . 1 . . . . 49 Val CA . 25463 1 219 . 1 1 49 49 VAL CB C 13 36.969 0.20 . 1 . . . . 49 Val CB . 25463 1 220 . 1 1 49 49 VAL N N 15 122.780 0.20 . 1 . . . . 49 Val N . 25463 1 221 . 1 1 50 50 ASN H H 1 8.450 0.02 . 1 . . . . 50 Asn H . 25463 1 222 . 1 1 50 50 ASN C C 13 175.800 0.20 . 1 . . . . 50 Asn C . 25463 1 223 . 1 1 50 50 ASN CA C 13 50.735 0.20 . 1 . . . . 50 Asn CA . 25463 1 224 . 1 1 50 50 ASN CB C 13 39.168 0.20 . 1 . . . . 50 Asn CB . 25463 1 225 . 1 1 50 50 ASN N N 15 123.074 0.20 . 1 . . . . 50 Asn N . 25463 1 226 . 1 1 51 51 GLY H H 1 9.263 0.02 . 1 . . . . 51 Gly H . 25463 1 227 . 1 1 51 51 GLY C C 13 169.559 0.20 . 1 . . . . 51 Gly C . 25463 1 228 . 1 1 51 51 GLY CA C 13 45.343 0.20 . 1 . . . . 51 Gly CA . 25463 1 229 . 1 1 51 51 GLY N N 15 110.634 0.20 . 1 . . . . 51 Gly N . 25463 1 230 . 1 1 52 52 THR H H 1 8.991 0.02 . 1 . . . . 52 Thr H . 25463 1 231 . 1 1 52 52 THR C C 13 173.690 0.20 . 1 . . . . 52 Thr C . 25463 1 232 . 1 1 52 52 THR CA C 13 61.864 0.20 . 1 . . . . 52 Thr CA . 25463 1 233 . 1 1 52 52 THR CB C 13 69.092 0.20 . 1 . . . . 52 Thr CB . 25463 1 234 . 1 1 52 52 THR N N 15 117.262 0.20 . 1 . . . . 52 Thr N . 25463 1 235 . 1 1 53 53 PHE H H 1 9.843 0.02 . 1 . . . . 53 Phe H . 25463 1 236 . 1 1 53 53 PHE C C 13 174.071 0.20 . 1 . . . . 53 Phe C . 25463 1 237 . 1 1 53 53 PHE CA C 13 55.714 0.20 . 1 . . . . 53 Phe CA . 25463 1 238 . 1 1 53 53 PHE CB C 13 41.254 0.20 . 1 . . . . 53 Phe CB . 25463 1 239 . 1 1 53 53 PHE N N 15 126.555 0.20 . 1 . . . . 53 Phe N . 25463 1 240 . 1 1 54 54 LEU H H 1 9.068 0.02 . 1 . . . . 54 Leu H . 25463 1 241 . 1 1 54 54 LEU C C 13 176.018 0.20 . 1 . . . . 54 Leu C . 25463 1 242 . 1 1 54 54 LEU CA C 13 53.284 0.20 . 1 . . . . 54 Leu CA . 25463 1 243 . 1 1 54 54 LEU CB C 13 42.073 0.20 . 1 . . . . 54 Leu CB . 25463 1 244 . 1 1 54 54 LEU N N 15 121.780 0.20 . 1 . . . . 54 Leu N . 25463 1 245 . 1 1 55 55 LYS H H 1 9.025 0.02 . 1 . . . . 55 Lys H . 25463 1 246 . 1 1 55 55 LYS C C 13 176.142 0.20 . 1 . . . . 55 Lys C . 25463 1 247 . 1 1 55 55 LYS CA C 13 54.953 0.20 . 1 . . . . 55 Lys CA . 25463 1 248 . 1 1 55 55 LYS CB C 13 32.880 0.20 . 1 . . . . 55 Lys CB . 25463 1 249 . 1 1 55 55 LYS N N 15 125.063 0.20 . 1 . . . . 55 Lys N . 25463 1 250 . 1 1 56 56 HIS H H 1 8.966 0.02 . 1 . . . . 56 His H . 25463 1 251 . 1 1 56 56 HIS C C 13 175.439 0.20 . 1 . . . . 56 His C . 25463 1 252 . 1 1 56 56 HIS CA C 13 55.362 0.20 . 1 . . . . 56 His CA . 25463 1 253 . 1 1 56 56 HIS CB C 13 28.782 0.20 . 1 . . . . 56 His CB . 25463 1 254 . 1 1 56 56 HIS N N 15 126.938 0.20 . 1 . . . . 56 His N . 25463 1 255 . 1 1 57 57 PRO C C 13 176.843 0.20 . 1 . . . . 57 Pro C . 25463 1 256 . 1 1 57 57 PRO CA C 13 65.152 0.20 . 1 . . . . 57 Pro CA . 25463 1 257 . 1 1 57 57 PRO CB C 13 30.666 0.20 . 1 . . . . 57 Pro CB . 25463 1 258 . 1 1 58 58 ASN H H 1 8.071 0.02 . 1 . . . . 58 Asn H . 25463 1 259 . 1 1 58 58 ASN C C 13 176.308 0.20 . 1 . . . . 58 Asn C . 25463 1 260 . 1 1 58 58 ASN CA C 13 52.531 0.20 . 1 . . . . 58 Asn CA . 25463 1 261 . 1 1 58 58 ASN CB C 13 36.680 0.20 . 1 . . . . 58 Asn CB . 25463 1 262 . 1 1 58 58 ASN N N 15 114.484 0.20 . 1 . . . . 58 Asn N . 25463 1 263 . 1 1 59 59 GLY H H 1 8.334 0.02 . 1 . . . . 59 Gly H . 25463 1 264 . 1 1 59 59 GLY C C 13 174.495 0.20 . 1 . . . . 59 Gly C . 25463 1 265 . 1 1 59 59 GLY CA C 13 44.248 0.20 . 1 . . . . 59 Gly CA . 25463 1 266 . 1 1 59 59 GLY N N 15 109.574 0.20 . 1 . . . . 59 Gly N . 25463 1 267 . 1 1 60 60 ASP H H 1 8.035 0.02 . 1 . . . . 60 Asp H . 25463 1 268 . 1 1 60 60 ASP C C 13 175.116 0.20 . 1 . . . . 60 Asp C . 25463 1 269 . 1 1 60 60 ASP CA C 13 54.453 0.20 . 1 . . . . 60 Asp CA . 25463 1 270 . 1 1 60 60 ASP CB C 13 40.003 0.20 . 1 . . . . 60 Asp CB . 25463 1 271 . 1 1 60 60 ASP N N 15 122.673 0.20 . 1 . . . . 60 Asp N . 25463 1 272 . 1 1 61 61 LYS H H 1 8.558 0.02 . 1 . . . . 61 Lys H . 25463 1 273 . 1 1 61 61 LYS C C 13 175.972 0.20 . 1 . . . . 61 Lys C . 25463 1 274 . 1 1 61 61 LYS CA C 13 54.224 0.20 . 1 . . . . 61 Lys CA . 25463 1 275 . 1 1 61 61 LYS CB C 13 34.697 0.20 . 1 . . . . 61 Lys CB . 25463 1 276 . 1 1 61 61 LYS N N 15 119.179 0.20 . 1 . . . . 61 Lys N . 25463 1 277 . 1 1 62 62 SER H H 1 8.810 0.02 . 1 . . . . 62 Ser H . 25463 1 278 . 1 1 62 62 SER C C 13 173.291 0.20 . 1 . . . . 62 Ser C . 25463 1 279 . 1 1 62 62 SER CA C 13 56.354 0.20 . 1 . . . . 62 Ser CA . 25463 1 280 . 1 1 62 62 SER CB C 13 65.198 0.20 . 1 . . . . 62 Ser CB . 25463 1 281 . 1 1 62 62 SER N N 15 116.012 0.20 . 1 . . . . 62 Ser N . 25463 1 282 . 1 1 63 63 LEU H H 1 9.295 0.02 . 1 . . . . 63 Leu H . 25463 1 283 . 1 1 63 63 LEU C C 13 174.604 0.20 . 1 . . . . 63 Leu C . 25463 1 284 . 1 1 63 63 LEU CA C 13 56.029 0.20 . 1 . . . . 63 Leu CA . 25463 1 285 . 1 1 63 63 LEU CB C 13 40.878 0.20 . 1 . . . . 63 Leu CB . 25463 1 286 . 1 1 63 63 LEU N N 15 127.810 0.20 . 1 . . . . 63 Leu N . 25463 1 287 . 1 1 64 64 SER H H 1 8.880 0.02 . 1 . . . . 64 Ser H . 25463 1 288 . 1 1 64 64 SER C C 13 174.491 0.20 . 1 . . . . 64 Ser C . 25463 1 289 . 1 1 64 64 SER CA C 13 58.769 0.20 . 1 . . . . 64 Ser CA . 25463 1 290 . 1 1 64 64 SER CB C 13 63.672 0.20 . 1 . . . . 64 Ser CB . 25463 1 291 . 1 1 64 64 SER N N 15 124.385 0.20 . 1 . . . . 64 Ser N . 25463 1 292 . 1 1 65 65 THR H H 1 7.738 0.02 . 1 . . . . 65 Thr H . 25463 1 293 . 1 1 65 65 THR C C 13 173.967 0.20 . 1 . . . . 65 Thr C . 25463 1 294 . 1 1 65 65 THR CA C 13 60.906 0.20 . 1 . . . . 65 Thr CA . 25463 1 295 . 1 1 65 65 THR CB C 13 71.077 0.20 . 1 . . . . 65 Thr CB . 25463 1 296 . 1 1 65 65 THR N N 15 116.090 0.20 . 1 . . . . 65 Thr N . 25463 1 297 . 1 1 66 66 LEU H H 1 9.208 0.02 . 1 . . . . 66 Leu H . 25463 1 298 . 1 1 66 66 LEU C C 13 174.627 0.20 . 1 . . . . 66 Leu C . 25463 1 299 . 1 1 66 66 LEU CA C 13 53.522 0.20 . 1 . . . . 66 Leu CA . 25463 1 300 . 1 1 66 66 LEU CB C 13 41.196 0.20 . 1 . . . . 66 Leu CB . 25463 1 301 . 1 1 66 66 LEU N N 15 129.059 0.20 . 1 . . . . 66 Leu N . 25463 1 302 . 1 1 67 67 HIS H H 1 8.073 0.02 . 1 . . . . 67 His H . 25463 1 303 . 1 1 67 67 HIS C C 13 176.557 0.20 . 1 . . . . 67 His C . 25463 1 304 . 1 1 67 67 HIS CA C 13 56.739 0.20 . 1 . . . . 67 His CA . 25463 1 305 . 1 1 67 67 HIS CB C 13 29.175 0.20 . 1 . . . . 67 His CB . 25463 1 306 . 1 1 67 67 HIS N N 15 127.959 0.20 . 1 . . . . 67 His N . 25463 1 307 . 1 1 68 68 ARG H H 1 7.779 0.02 . 1 . . . . 68 Arg H . 25463 1 308 . 1 1 68 68 ARG C C 13 173.283 0.20 . 1 . . . . 68 Arg C . 25463 1 309 . 1 1 68 68 ARG CA C 13 55.295 0.20 . 1 . . . . 68 Arg CA . 25463 1 310 . 1 1 68 68 ARG CB C 13 32.104 0.20 . 1 . . . . 68 Arg CB . 25463 1 311 . 1 1 68 68 ARG N N 15 112.958 0.20 . 1 . . . . 68 Arg N . 25463 1 312 . 1 1 69 69 LEU H H 1 8.539 0.02 . 1 . . . . 69 Leu H . 25463 1 313 . 1 1 69 69 LEU C C 13 173.829 0.20 . 1 . . . . 69 Leu C . 25463 1 314 . 1 1 69 69 LEU CA C 13 54.220 0.20 . 1 . . . . 69 Leu CA . 25463 1 315 . 1 1 69 69 LEU CB C 13 43.059 0.20 . 1 . . . . 69 Leu CB . 25463 1 316 . 1 1 69 69 LEU N N 15 128.804 0.20 . 1 . . . . 69 Leu N . 25463 1 317 . 1 1 70 70 ASN H H 1 9.231 0.02 . 1 . . . . 70 Asn H . 25463 1 318 . 1 1 70 70 ASN C C 13 173.388 0.20 . 1 . . . . 70 Asn C . 25463 1 319 . 1 1 70 70 ASN CA C 13 50.066 0.20 . 1 . . . . 70 Asn CA . 25463 1 320 . 1 1 70 70 ASN CB C 13 43.041 0.20 . 1 . . . . 70 Asn CB . 25463 1 321 . 1 1 70 70 ASN N N 15 126.105 0.20 . 1 . . . . 70 Asn N . 25463 1 322 . 1 1 71 71 ALA H H 1 8.357 0.02 . 1 . . . . 71 Ala H . 25463 1 323 . 1 1 71 71 ALA C C 13 174.824 0.20 . 1 . . . . 71 Ala C . 25463 1 324 . 1 1 71 71 ALA CA C 13 48.994 0.20 . 1 . . . . 71 Ala CA . 25463 1 325 . 1 1 71 71 ALA CB C 13 20.315 0.20 . 1 . . . . 71 Ala CB . 25463 1 326 . 1 1 71 71 ALA N N 15 121.992 0.20 . 1 . . . . 71 Ala N . 25463 1 327 . 1 1 72 72 TYR H H 1 9.416 0.02 . 1 . . . . 72 Tyr H . 25463 1 328 . 1 1 72 72 TYR C C 13 176.598 0.20 . 1 . . . . 72 Tyr C . 25463 1 329 . 1 1 72 72 TYR CA C 13 56.311 0.20 . 1 . . . . 72 Tyr CA . 25463 1 330 . 1 1 72 72 TYR CB C 13 42.167 0.20 . 1 . . . . 72 Tyr CB . 25463 1 331 . 1 1 72 72 TYR N N 15 122.435 0.20 . 1 . . . . 72 Tyr N . 25463 1 332 . 1 1 73 73 ASP H H 1 9.146 0.02 . 1 . . . . 73 Asp H . 25463 1 333 . 1 1 73 73 ASP C C 13 177.988 0.20 . 1 . . . . 73 Asp C . 25463 1 334 . 1 1 73 73 ASP CA C 13 52.099 0.20 . 1 . . . . 73 Asp CA . 25463 1 335 . 1 1 73 73 ASP CB C 13 41.751 0.20 . 1 . . . . 73 Asp CB . 25463 1 336 . 1 1 73 73 ASP N N 15 119.968 0.20 . 1 . . . . 73 Asp N . 25463 1 337 . 1 1 74 74 GLN H H 1 8.764 0.02 . 1 . . . . 74 Gln H . 25463 1 338 . 1 1 74 74 GLN C C 13 176.047 0.20 . 1 . . . . 74 Gln C . 25463 1 339 . 1 1 74 74 GLN CA C 13 57.916 0.20 . 1 . . . . 74 Gln CA . 25463 1 340 . 1 1 74 74 GLN CB C 13 24.573 0.20 . 1 . . . . 74 Gln CB . 25463 1 341 . 1 1 74 74 GLN N N 15 117.440 0.20 . 1 . . . . 74 Gln N . 25463 1 342 . 1 1 75 75 ASN H H 1 8.720 0.02 . 1 . . . . 75 Asn H . 25463 1 343 . 1 1 75 75 ASN C C 13 175.665 0.20 . 1 . . . . 75 Asn C . 25463 1 344 . 1 1 75 75 ASN CA C 13 52.424 0.20 . 1 . . . . 75 Asn CA . 25463 1 345 . 1 1 75 75 ASN CB C 13 39.081 0.20 . 1 . . . . 75 Asn CB . 25463 1 346 . 1 1 75 75 ASN N N 15 120.146 0.20 . 1 . . . . 75 Asn N . 25463 1 347 . 1 1 76 76 GLY H H 1 8.166 0.02 . 1 . . . . 76 Gly H . 25463 1 348 . 1 1 76 76 GLY C C 13 174.415 0.20 . 1 . . . . 76 Gly C . 25463 1 349 . 1 1 76 76 GLY CA C 13 44.917 0.20 . 1 . . . . 76 Gly CA . 25463 1 350 . 1 1 76 76 GLY N N 15 109.499 0.20 . 1 . . . . 76 Gly N . 25463 1 351 . 1 1 77 77 GLY H H 1 9.197 0.02 . 1 . . . . 77 Gly H . 25463 1 352 . 1 1 77 77 GLY C C 13 173.764 0.20 . 1 . . . . 77 Gly C . 25463 1 353 . 1 1 77 77 GLY CA C 13 44.125 0.20 . 1 . . . . 77 Gly CA . 25463 1 354 . 1 1 77 77 GLY N N 15 112.944 0.20 . 1 . . . . 77 Gly N . 25463 1 355 . 1 1 78 78 LEU H H 1 8.694 0.02 . 1 . . . . 78 Leu H . 25463 1 356 . 1 1 78 78 LEU C C 13 176.511 0.20 . 1 . . . . 78 Leu C . 25463 1 357 . 1 1 78 78 LEU CA C 13 55.379 0.20 . 1 . . . . 78 Leu CA . 25463 1 358 . 1 1 78 78 LEU CB C 13 40.572 0.20 . 1 . . . . 78 Leu CB . 25463 1 359 . 1 1 78 78 LEU N N 15 127.580 0.20 . 1 . . . . 78 Leu N . 25463 1 360 . 1 1 79 79 VAL H H 1 8.816 0.02 . 1 . . . . 79 Val H . 25463 1 361 . 1 1 79 79 VAL C C 13 174.159 0.20 . 1 . . . . 79 Val C . 25463 1 362 . 1 1 79 79 VAL CA C 13 60.894 0.20 . 1 . . . . 79 Val CA . 25463 1 363 . 1 1 79 79 VAL N N 15 120.647 0.20 . 1 . . . . 79 Val N . 25463 1 364 . 1 1 80 80 ALA H H 1 7.558 0.02 . 1 . . . . 80 Ala H . 25463 1 365 . 1 1 80 80 ALA C C 13 173.697 0.20 . 1 . . . . 80 Ala C . 25463 1 366 . 1 1 80 80 ALA CA C 13 51.046 0.20 . 1 . . . . 80 Ala CA . 25463 1 367 . 1 1 80 80 ALA CB C 13 21.980 0.20 . 1 . . . . 80 Ala CB . 25463 1 368 . 1 1 80 80 ALA N N 15 119.570 0.20 . 1 . . . . 80 Ala N . 25463 1 369 . 1 1 81 81 LYS H H 1 8.977 0.02 . 1 . . . . 81 Lys H . 25463 1 370 . 1 1 81 81 LYS C C 13 173.054 0.20 . 1 . . . . 81 Lys C . 25463 1 371 . 1 1 81 81 LYS CA C 13 53.774 0.20 . 1 . . . . 81 Lys CA . 25463 1 372 . 1 1 81 81 LYS CB C 13 35.959 0.20 . 1 . . . . 81 Lys CB . 25463 1 373 . 1 1 81 81 LYS N N 15 118.304 0.20 . 1 . . . . 81 Lys N . 25463 1 374 . 1 1 82 82 LEU H H 1 9.414 0.02 . 1 . . . . 82 Leu H . 25463 1 375 . 1 1 82 82 LEU C C 13 174.328 0.20 . 1 . . . . 82 Leu C . 25463 1 376 . 1 1 82 82 LEU CA C 13 53.213 0.20 . 1 . . . . 82 Leu CA . 25463 1 377 . 1 1 82 82 LEU CB C 13 46.881 0.20 . 1 . . . . 82 Leu CB . 25463 1 378 . 1 1 82 82 LEU N N 15 126.475 0.20 . 1 . . . . 82 Leu N . 25463 1 379 . 1 1 83 83 VAL H H 1 8.329 0.02 . 1 . . . . 83 Val H . 25463 1 380 . 1 1 83 83 VAL C C 13 173.625 0.20 . 1 . . . . 83 Val C . 25463 1 381 . 1 1 83 83 VAL CA C 13 58.924 0.20 . 1 . . . . 83 Val CA . 25463 1 382 . 1 1 83 83 VAL CB C 13 34.855 0.20 . 1 . . . . 83 Val CB . 25463 1 383 . 1 1 83 83 VAL N N 15 118.923 0.20 . 1 . . . . 83 Val N . 25463 1 384 . 1 1 84 84 ALA H H 1 8.425 0.02 . 1 . . . . 84 Ala H . 25463 1 385 . 1 1 84 84 ALA C C 13 179.069 0.20 . 1 . . . . 84 Ala C . 25463 1 386 . 1 1 84 84 ALA CA C 13 49.786 0.20 . 1 . . . . 84 Ala CA . 25463 1 387 . 1 1 84 84 ALA CB C 13 21.628 0.20 . 1 . . . . 84 Ala CB . 25463 1 388 . 1 1 84 84 ALA N N 15 121.019 0.20 . 1 . . . . 84 Ala N . 25463 1 389 . 1 1 85 85 THR H H 1 9.253 0.02 . 1 . . . . 85 Thr H . 25463 1 390 . 1 1 85 85 THR C C 13 173.671 0.20 . 1 . . . . 85 Thr C . 25463 1 391 . 1 1 85 85 THR CA C 13 62.450 0.20 . 1 . . . . 85 Thr CA . 25463 1 392 . 1 1 85 85 THR CB C 13 68.662 0.20 . 1 . . . . 85 Thr CB . 25463 1 393 . 1 1 85 85 THR N N 15 112.460 0.20 . 1 . . . . 85 Thr N . 25463 1 394 . 1 1 86 86 ASP H H 1 7.210 0.02 . 1 . . . . 86 Asp H . 25463 1 395 . 1 1 86 86 ASP C C 13 174.621 0.20 . 1 . . . . 86 Asp C . 25463 1 396 . 1 1 86 86 ASP CA C 13 51.730 0.20 . 1 . . . . 86 Asp CA . 25463 1 397 . 1 1 86 86 ASP CB C 13 44.044 0.20 . 1 . . . . 86 Asp CB . 25463 1 398 . 1 1 86 86 ASP N N 15 118.074 0.20 . 1 . . . . 86 Asp N . 25463 1 399 . 1 1 87 87 ASP H H 1 8.568 0.02 . 1 . . . . 87 Asp H . 25463 1 400 . 1 1 87 87 ASP C C 13 175.274 0.20 . 1 . . . . 87 Asp C . 25463 1 401 . 1 1 87 87 ASP CA C 13 54.883 0.20 . 1 . . . . 87 Asp CA . 25463 1 402 . 1 1 87 87 ASP CB C 13 39.959 0.20 . 1 . . . . 87 Asp CB . 25463 1 403 . 1 1 87 87 ASP N N 15 120.760 0.20 . 1 . . . . 87 Asp N . 25463 1 404 . 1 1 88 88 LEU H H 1 9.017 0.02 . 1 . . . . 88 Leu H . 25463 1 405 . 1 1 88 88 LEU C C 13 177.320 0.20 . 1 . . . . 88 Leu C . 25463 1 406 . 1 1 88 88 LEU CA C 13 53.753 0.20 . 1 . . . . 88 Leu CA . 25463 1 407 . 1 1 88 88 LEU CB C 13 43.319 0.20 . 1 . . . . 88 Leu CB . 25463 1 408 . 1 1 88 88 LEU N N 15 120.909 0.20 . 1 . . . . 88 Leu N . 25463 1 409 . 1 1 89 89 THR H H 1 9.740 0.02 . 1 . . . . 89 Thr H . 25463 1 410 . 1 1 89 89 THR C C 13 177.801 0.20 . 1 . . . . 89 Thr C . 25463 1 411 . 1 1 89 89 THR CA C 13 59.452 0.20 . 1 . . . . 89 Thr CA . 25463 1 412 . 1 1 89 89 THR CB C 13 72.457 0.20 . 1 . . . . 89 Thr CB . 25463 1 413 . 1 1 89 89 THR N N 15 113.440 0.20 . 1 . . . . 89 Thr N . 25463 1 414 . 1 1 90 90 VAL H H 1 8.759 0.02 . 1 . . . . 90 Val H . 25463 1 415 . 1 1 90 90 VAL C C 13 178.229 0.20 . 1 . . . . 90 Val C . 25463 1 416 . 1 1 90 90 VAL CA C 13 64.946 0.20 . 1 . . . . 90 Val CA . 25463 1 417 . 1 1 90 90 VAL CB C 13 30.780 0.20 . 1 . . . . 90 Val CB . 25463 1 418 . 1 1 90 90 VAL N N 15 121.326 0.20 . 1 . . . . 90 Val N . 25463 1 419 . 1 1 91 91 GLU H H 1 8.189 0.02 . 1 . . . . 91 Glu H . 25463 1 420 . 1 1 91 91 GLU C C 13 177.872 0.20 . 1 . . . . 91 Glu C . 25463 1 421 . 1 1 91 91 GLU CA C 13 58.122 0.20 . 1 . . . . 91 Glu CA . 25463 1 422 . 1 1 91 91 GLU CB C 13 28.027 0.20 . 1 . . . . 91 Glu CB . 25463 1 423 . 1 1 91 91 GLU N N 15 120.042 0.20 . 1 . . . . 91 Glu N . 25463 1 424 . 1 1 92 92 ASP H H 1 7.993 0.02 . 1 . . . . 92 Asp H . 25463 1 425 . 1 1 92 92 ASP C C 13 176.523 0.20 . 1 . . . . 92 Asp C . 25463 1 426 . 1 1 92 92 ASP CA C 13 56.252 0.20 . 1 . . . . 92 Asp CA . 25463 1 427 . 1 1 92 92 ASP CB C 13 42.352 0.20 . 1 . . . . 92 Asp CB . 25463 1 428 . 1 1 92 92 ASP N N 15 117.238 0.20 . 1 . . . . 92 Asp N . 25463 1 429 . 1 1 93 93 GLU H H 1 7.759 0.02 . 1 . . . . 93 Glu H . 25463 1 430 . 1 1 93 93 GLU C C 13 178.561 0.20 . 1 . . . . 93 Glu C . 25463 1 431 . 1 1 93 93 GLU CA C 13 60.380 0.20 . 1 . . . . 93 Glu CA . 25463 1 432 . 1 1 93 93 GLU CB C 13 28.630 0.20 . 1 . . . . 93 Glu CB . 25463 1 433 . 1 1 93 93 GLU N N 15 121.009 0.20 . 1 . . . . 93 Glu N . 25463 1 434 . 1 1 94 94 LYS H H 1 8.156 0.02 . 1 . . . . 94 Lys H . 25463 1 435 . 1 1 94 94 LYS C C 13 179.565 0.20 . 1 . . . . 94 Lys C . 25463 1 436 . 1 1 94 94 LYS CA C 13 59.500 0.20 . 1 . . . . 94 Lys CA . 25463 1 437 . 1 1 94 94 LYS CB C 13 30.007 0.20 . 1 . . . . 94 Lys CB . 25463 1 438 . 1 1 94 94 LYS N N 15 119.155 0.20 . 1 . . . . 94 Lys N . 25463 1 439 . 1 1 95 95 ASP H H 1 8.111 0.02 . 1 . . . . 95 Asp H . 25463 1 440 . 1 1 95 95 ASP C C 13 177.616 0.20 . 1 . . . . 95 Asp C . 25463 1 441 . 1 1 95 95 ASP CA C 13 57.125 0.20 . 1 . . . . 95 Asp CA . 25463 1 442 . 1 1 95 95 ASP CB C 13 39.672 0.20 . 1 . . . . 95 Asp CB . 25463 1 443 . 1 1 95 95 ASP N N 15 121.972 0.20 . 1 . . . . 95 Asp N . 25463 1 444 . 1 1 96 96 GLY H H 1 8.062 0.02 . 1 . . . . 96 Gly H . 25463 1 445 . 1 1 96 96 GLY C C 13 174.885 0.20 . 1 . . . . 96 Gly C . 25463 1 446 . 1 1 96 96 GLY CA C 13 45.362 0.20 . 1 . . . . 96 Gly CA . 25463 1 447 . 1 1 96 96 GLY N N 15 108.644 0.20 . 1 . . . . 96 Gly N . 25463 1 448 . 1 1 97 97 HIS H H 1 8.589 0.02 . 1 . . . . 97 His H . 25463 1 449 . 1 1 97 97 HIS C C 13 177.234 0.20 . 1 . . . . 97 His C . 25463 1 450 . 1 1 97 97 HIS CA C 13 60.258 0.20 . 1 . . . . 97 His CA . 25463 1 451 . 1 1 97 97 HIS CB C 13 28.082 0.20 . 1 . . . . 97 His CB . 25463 1 452 . 1 1 97 97 HIS N N 15 120.231 0.20 . 1 . . . . 97 His N . 25463 1 453 . 1 1 98 98 ARG H H 1 8.054 0.02 . 1 . . . . 98 Arg H . 25463 1 454 . 1 1 98 98 ARG C C 13 179.335 0.20 . 1 . . . . 98 Arg C . 25463 1 455 . 1 1 98 98 ARG CA C 13 59.326 0.20 . 1 . . . . 98 Arg CA . 25463 1 456 . 1 1 98 98 ARG CB C 13 29.423 0.20 . 1 . . . . 98 Arg CB . 25463 1 457 . 1 1 98 98 ARG N N 15 118.815 0.20 . 1 . . . . 98 Arg N . 25463 1 458 . 1 1 99 99 ILE H H 1 8.503 0.02 . 1 . . . . 99 Ile H . 25463 1 459 . 1 1 99 99 ILE C C 13 176.610 0.20 . 1 . . . . 99 Ile C . 25463 1 460 . 1 1 99 99 ILE CA C 13 62.565 0.20 . 1 . . . . 99 Ile CA . 25463 1 461 . 1 1 99 99 ILE N N 15 121.294 0.20 . 1 . . . . 99 Ile N . 25463 1 462 . 1 1 100 100 LEU H H 1 7.329 0.02 . 1 . . . . 100 Leu H . 25463 1 463 . 1 1 100 100 LEU C C 13 177.789 0.20 . 1 . . . . 100 Leu C . 25463 1 464 . 1 1 100 100 LEU CA C 13 56.538 0.20 . 1 . . . . 100 Leu CA . 25463 1 465 . 1 1 100 100 LEU CB C 13 40.079 0.20 . 1 . . . . 100 Leu CB . 25463 1 466 . 1 1 100 100 LEU N N 15 122.205 0.20 . 1 . . . . 100 Leu N . 25463 1 467 . 1 1 101 101 ASN H H 1 7.824 0.02 . 1 . . . . 101 Asn H . 25463 1 468 . 1 1 101 101 ASN C C 13 177.310 0.20 . 1 . . . . 101 Asn C . 25463 1 469 . 1 1 101 101 ASN CA C 13 56.190 0.20 . 1 . . . . 101 Asn CA . 25463 1 470 . 1 1 101 101 ASN CB C 13 36.597 0.20 . 1 . . . . 101 Asn CB . 25463 1 471 . 1 1 101 101 ASN N N 15 119.564 0.20 . 1 . . . . 101 Asn N . 25463 1 472 . 1 1 102 102 SER H H 1 7.626 0.02 . 1 . . . . 102 Ser H . 25463 1 473 . 1 1 102 102 SER C C 13 176.305 0.20 . 1 . . . . 102 Ser C . 25463 1 474 . 1 1 102 102 SER CA C 13 61.038 0.20 . 1 . . . . 102 Ser CA . 25463 1 475 . 1 1 102 102 SER N N 15 113.393 0.20 . 1 . . . . 102 Ser N . 25463 1 476 . 1 1 103 103 LEU H H 1 7.226 0.02 . 1 . . . . 103 Leu H . 25463 1 477 . 1 1 103 103 LEU C C 13 177.417 0.20 . 1 . . . . 103 Leu C . 25463 1 478 . 1 1 103 103 LEU CA C 13 58.456 0.20 . 1 . . . . 103 Leu CA . 25463 1 479 . 1 1 103 103 LEU N N 15 120.876 0.20 . 1 . . . . 103 Leu N . 25463 1 480 . 1 1 104 104 PHE H H 1 7.884 0.02 . 1 . . . . 104 Phe H . 25463 1 481 . 1 1 104 104 PHE C C 13 178.524 0.20 . 1 . . . . 104 Phe C . 25463 1 482 . 1 1 104 104 PHE CA C 13 60.634 0.20 . 1 . . . . 104 Phe CA . 25463 1 483 . 1 1 104 104 PHE N N 15 115.012 0.20 . 1 . . . . 104 Phe N . 25463 1 484 . 1 1 105 105 GLU H H 1 8.969 0.02 . 1 . . . . 105 Glu H . 25463 1 485 . 1 1 105 105 GLU C C 13 178.884 0.20 . 1 . . . . 105 Glu C . 25463 1 486 . 1 1 105 105 GLU N N 15 120.409 0.20 . 1 . . . . 105 Glu N . 25463 1 487 . 1 1 106 106 ARG H H 1 7.549 0.02 . 1 . . . . 106 Arg H . 25463 1 488 . 1 1 106 106 ARG C C 13 178.541 0.20 . 1 . . . . 106 Arg C . 25463 1 489 . 1 1 106 106 ARG N N 15 117.818 0.20 . 1 . . . . 106 Arg N . 25463 1 490 . 1 1 107 107 PHE H H 1 7.403 0.02 . 1 . . . . 107 Phe H . 25463 1 491 . 1 1 107 107 PHE C C 13 174.024 0.20 . 1 . . . . 107 Phe C . 25463 1 492 . 1 1 107 107 PHE CA C 13 58.383 0.20 . 1 . . . . 107 Phe CA . 25463 1 493 . 1 1 107 107 PHE N N 15 117.822 0.20 . 1 . . . . 107 Phe N . 25463 1 494 . 1 1 108 108 ASP H H 1 8.130 0.02 . 1 . . . . 108 Asp H . 25463 1 495 . 1 1 108 108 ASP C C 13 175.245 0.20 . 1 . . . . 108 Asp C . 25463 1 496 . 1 1 108 108 ASP CA C 13 53.311 0.20 . 1 . . . . 108 Asp CA . 25463 1 497 . 1 1 108 108 ASP N N 15 119.315 0.20 . 1 . . . . 108 Asp N . 25463 1 498 . 1 1 110 110 GLY H H 1 8.213 0.02 . 1 . . . . 110 Gly H . 25463 1 499 . 1 1 110 110 GLY C C 13 173.661 0.20 . 1 . . . . 110 Gly C . 25463 1 500 . 1 1 110 110 GLY CA C 13 44.485 0.20 . 1 . . . . 110 Gly CA . 25463 1 501 . 1 1 110 110 GLY N N 15 109.326 0.20 . 1 . . . . 110 Gly N . 25463 1 502 . 1 1 111 111 HIS H H 1 8.003 0.02 . 1 . . . . 111 His H . 25463 1 503 . 1 1 111 111 HIS C C 13 174.142 0.20 . 1 . . . . 111 His C . 25463 1 504 . 1 1 111 111 HIS CA C 13 55.003 0.20 . 1 . . . . 111 His CA . 25463 1 505 . 1 1 111 111 HIS CB C 13 27.309 0.20 . 1 . . . . 111 His CB . 25463 1 506 . 1 1 111 111 HIS N N 15 119.182 0.20 . 1 . . . . 111 His N . 25463 1 507 . 1 1 112 112 SER H H 1 8.922 0.02 . 1 . . . . 112 Ser H . 25463 1 508 . 1 1 112 112 SER C C 13 174.738 0.20 . 1 . . . . 112 Ser C . 25463 1 509 . 1 1 112 112 SER CA C 13 59.092 0.20 . 1 . . . . 112 Ser CA . 25463 1 510 . 1 1 112 112 SER CB C 13 64.144 0.20 . 1 . . . . 112 Ser CB . 25463 1 511 . 1 1 112 112 SER N N 15 117.179 0.20 . 1 . . . . 112 Ser N . 25463 1 512 . 1 1 113 113 LYS H H 1 8.518 0.02 . 1 . . . . 113 Lys H . 25463 1 513 . 1 1 113 113 LYS CA C 13 54.702 0.20 . 1 . . . . 113 Lys CA . 25463 1 514 . 1 1 113 113 LYS CB C 13 31.813 0.20 . 1 . . . . 113 Lys CB . 25463 1 515 . 1 1 113 113 LYS N N 15 126.188 0.20 . 1 . . . . 113 Lys N . 25463 1 516 . 1 1 114 114 PRO C C 13 175.614 0.20 . 1 . . . . 114 Pro C . 25463 1 517 . 1 1 114 114 PRO CA C 13 63.293 0.20 . 1 . . . . 114 Pro CA . 25463 1 518 . 1 1 114 114 PRO CB C 13 31.428 0.20 . 1 . . . . 114 Pro CB . 25463 1 519 . 1 1 115 115 ILE H H 1 8.163 0.02 . 1 . . . . 115 Ile H . 25463 1 520 . 1 1 115 115 ILE C C 13 174.525 0.20 . 1 . . . . 115 Ile C . 25463 1 521 . 1 1 115 115 ILE CA C 13 60.142 0.20 . 1 . . . . 115 Ile CA . 25463 1 522 . 1 1 115 115 ILE CB C 13 38.945 0.20 . 1 . . . . 115 Ile CB . 25463 1 523 . 1 1 115 115 ILE N N 15 121.866 0.20 . 1 . . . . 115 Ile N . 25463 1 524 . 1 1 116 116 ARG H H 1 8.678 0.02 . 1 . . . . 116 Arg H . 25463 1 525 . 1 1 116 116 ARG C C 13 174.577 0.20 . 1 . . . . 116 Arg C . 25463 1 526 . 1 1 116 116 ARG CA C 13 53.698 0.20 . 1 . . . . 116 Arg CA . 25463 1 527 . 1 1 116 116 ARG CB C 13 32.453 0.20 . 1 . . . . 116 Arg CB . 25463 1 528 . 1 1 116 116 ARG N N 15 125.531 0.20 . 1 . . . . 116 Arg N . 25463 1 529 . 1 1 117 117 ALA H H 1 8.679 0.02 . 1 . . . . 117 Ala H . 25463 1 530 . 1 1 117 117 ALA C C 13 175.939 0.20 . 1 . . . . 117 Ala C . 25463 1 531 . 1 1 117 117 ALA CA C 13 50.143 0.20 . 1 . . . . 117 Ala CA . 25463 1 532 . 1 1 117 117 ALA CB C 13 21.959 0.20 . 1 . . . . 117 Ala CB . 25463 1 533 . 1 1 117 117 ALA N N 15 122.916 0.20 . 1 . . . . 117 Ala N . 25463 1 534 . 1 1 118 118 ALA H H 1 7.759 0.02 . 1 . . . . 118 Ala H . 25463 1 535 . 1 1 118 118 ALA C C 13 176.608 0.20 . 1 . . . . 118 Ala C . 25463 1 536 . 1 1 118 118 ALA CA C 13 50.886 0.20 . 1 . . . . 118 Ala CA . 25463 1 537 . 1 1 118 118 ALA CB C 13 17.954 0.20 . 1 . . . . 118 Ala CB . 25463 1 538 . 1 1 118 118 ALA N N 15 123.953 0.20 . 1 . . . . 118 Ala N . 25463 1 539 . 1 1 119 119 GLU H H 1 8.383 0.02 . 1 . . . . 119 Glu H . 25463 1 540 . 1 1 119 119 GLU C C 13 179.292 0.20 . 1 . . . . 119 Glu C . 25463 1 541 . 1 1 119 119 GLU CA C 13 61.193 0.20 . 1 . . . . 119 Glu CA . 25463 1 542 . 1 1 119 119 GLU CB C 13 29.756 0.20 . 1 . . . . 119 Glu CB . 25463 1 543 . 1 1 119 119 GLU N N 15 117.601 0.20 . 1 . . . . 119 Glu N . 25463 1 544 . 1 1 120 120 THR H H 1 10.955 0.02 . 1 . . . . 120 Thr H . 25463 1 545 . 1 1 120 120 THR C C 13 178.315 0.20 . 1 . . . . 120 Thr C . 25463 1 546 . 1 1 120 120 THR CA C 13 66.960 0.20 . 1 . . . . 120 Thr CA . 25463 1 547 . 1 1 120 120 THR N N 15 122.369 0.20 . 1 . . . . 120 Thr N . 25463 1 548 . 1 1 121 121 ALA H H 1 8.679 0.02 . 1 . . . . 121 Ala H . 25463 1 549 . 1 1 121 121 ALA C C 13 178.874 0.20 . 1 . . . . 121 Ala C . 25463 1 550 . 1 1 121 121 ALA CA C 13 55.036 0.20 . 1 . . . . 121 Ala CA . 25463 1 551 . 1 1 121 121 ALA CB C 13 18.859 0.20 . 1 . . . . 121 Ala CB . 25463 1 552 . 1 1 121 121 ALA N N 15 126.594 0.20 . 1 . . . . 121 Ala N . 25463 1 553 . 1 1 122 122 VAL H H 1 8.631 0.02 . 1 . . . . 122 Val H . 25463 1 554 . 1 1 122 122 VAL C C 13 178.442 0.20 . 1 . . . . 122 Val C . 25463 1 555 . 1 1 122 122 VAL CA C 13 67.676 0.20 . 1 . . . . 122 Val CA . 25463 1 556 . 1 1 122 122 VAL CB C 13 31.119 0.20 . 1 . . . . 122 Val CB . 25463 1 557 . 1 1 122 122 VAL N N 15 119.942 0.20 . 1 . . . . 122 Val N . 25463 1 558 . 1 1 123 123 GLY H H 1 7.257 0.02 . 1 . . . . 123 Gly H . 25463 1 559 . 1 1 123 123 GLY C C 13 177.178 0.20 . 1 . . . . 123 Gly C . 25463 1 560 . 1 1 123 123 GLY CA C 13 46.667 0.20 . 1 . . . . 123 Gly CA . 25463 1 561 . 1 1 123 123 GLY N N 15 106.471 0.20 . 1 . . . . 123 Gly N . 25463 1 562 . 1 1 124 124 VAL H H 1 7.468 0.02 . 1 . . . . 124 Val H . 25463 1 563 . 1 1 124 124 VAL C C 13 176.916 0.20 . 1 . . . . 124 Val C . 25463 1 564 . 1 1 124 124 VAL CA C 13 66.263 0.20 . 1 . . . . 124 Val CA . 25463 1 565 . 1 1 124 124 VAL CB C 13 31.148 0.20 . 1 . . . . 124 Val CB . 25463 1 566 . 1 1 124 124 VAL N N 15 123.106 0.20 . 1 . . . . 124 Val N . 25463 1 567 . 1 1 125 125 LEU H H 1 8.863 0.02 . 1 . . . . 125 Leu H . 25463 1 568 . 1 1 125 125 LEU C C 13 179.364 0.20 . 1 . . . . 125 Leu C . 25463 1 569 . 1 1 125 125 LEU CA C 13 58.398 0.20 . 1 . . . . 125 Leu CA . 25463 1 570 . 1 1 125 125 LEU CB C 13 38.667 0.20 . 1 . . . . 125 Leu CB . 25463 1 571 . 1 1 125 125 LEU N N 15 119.062 0.20 . 1 . . . . 125 Leu N . 25463 1 572 . 1 1 126 126 SER H H 1 8.310 0.02 . 1 . . . . 126 Ser H . 25463 1 573 . 1 1 126 126 SER C C 13 177.585 0.20 . 1 . . . . 126 Ser C . 25463 1 574 . 1 1 126 126 SER CA C 13 60.913 0.20 . 1 . . . . 126 Ser CA . 25463 1 575 . 1 1 126 126 SER CB C 13 62.521 0.20 . 1 . . . . 126 Ser CB . 25463 1 576 . 1 1 126 126 SER N N 15 114.190 0.20 . 1 . . . . 126 Ser N . 25463 1 577 . 1 1 127 127 GLN H H 1 7.960 0.02 . 1 . . . . 127 Gln H . 25463 1 578 . 1 1 127 127 GLN C C 13 177.272 0.20 . 1 . . . . 127 Gln C . 25463 1 579 . 1 1 127 127 GLN CA C 13 58.570 0.20 . 1 . . . . 127 Gln CA . 25463 1 580 . 1 1 127 127 GLN CB C 13 26.361 0.20 . 1 . . . . 127 Gln CB . 25463 1 581 . 1 1 127 127 GLN N N 15 124.793 0.20 . 1 . . . . 127 Gln N . 25463 1 582 . 1 1 128 128 PHE H H 1 7.416 0.02 . 1 . . . . 128 Phe H . 25463 1 583 . 1 1 128 128 PHE C C 13 176.340 0.20 . 1 . . . . 128 Phe C . 25463 1 584 . 1 1 128 128 PHE CA C 13 55.569 0.20 . 1 . . . . 128 Phe CA . 25463 1 585 . 1 1 128 128 PHE CB C 13 37.337 0.20 . 1 . . . . 128 Phe CB . 25463 1 586 . 1 1 128 128 PHE N N 15 112.509 0.20 . 1 . . . . 128 Phe N . 25463 1 587 . 1 1 129 129 GLY H H 1 7.813 0.02 . 1 . . . . 129 Gly H . 25463 1 588 . 1 1 129 129 GLY C C 13 175.757 0.20 . 1 . . . . 129 Gly C . 25463 1 589 . 1 1 129 129 GLY CA C 13 48.226 0.20 . 1 . . . . 129 Gly CA . 25463 1 590 . 1 1 129 129 GLY N N 15 109.826 0.20 . 1 . . . . 129 Gly N . 25463 1 591 . 1 1 130 130 GLN H H 1 8.615 0.02 . 1 . . . . 130 Gln H . 25463 1 592 . 1 1 130 130 GLN C C 13 176.755 0.20 . 1 . . . . 130 Gln C . 25463 1 593 . 1 1 130 130 GLN CA C 13 53.212 0.20 . 1 . . . . 130 Gln CA . 25463 1 594 . 1 1 130 130 GLN CB C 13 28.303 0.20 . 1 . . . . 130 Gln CB . 25463 1 595 . 1 1 130 130 GLN N N 15 114.149 0.20 . 1 . . . . 130 Gln N . 25463 1 596 . 1 1 131 131 GLU H H 1 9.279 0.02 . 1 . . . . 131 Glu H . 25463 1 597 . 1 1 131 131 GLU C C 13 177.726 0.20 . 1 . . . . 131 Glu C . 25463 1 598 . 1 1 131 131 GLU CA C 13 59.353 0.20 . 1 . . . . 131 Glu CA . 25463 1 599 . 1 1 131 131 GLU CB C 13 27.224 0.20 . 1 . . . . 131 Glu CB . 25463 1 600 . 1 1 131 131 GLU N N 15 123.468 0.20 . 1 . . . . 131 Glu N . 25463 1 601 . 1 1 132 132 HIS H H 1 8.326 0.02 . 1 . . . . 132 His H . 25463 1 602 . 1 1 132 132 HIS C C 13 175.820 0.20 . 1 . . . . 132 His C . 25463 1 603 . 1 1 132 132 HIS CA C 13 56.855 0.20 . 1 . . . . 132 His CA . 25463 1 604 . 1 1 132 132 HIS CB C 13 27.958 0.20 . 1 . . . . 132 His CB . 25463 1 605 . 1 1 132 132 HIS N N 15 117.443 0.20 . 1 . . . . 132 His N . 25463 1 606 . 1 1 133 133 ARG H H 1 7.010 0.02 . 1 . . . . 133 Arg H . 25463 1 607 . 1 1 133 133 ARG C C 13 176.688 0.20 . 1 . . . . 133 Arg C . 25463 1 608 . 1 1 133 133 ARG CA C 13 55.180 0.20 . 1 . . . . 133 Arg CA . 25463 1 609 . 1 1 133 133 ARG CB C 13 28.596 0.20 . 1 . . . . 133 Arg CB . 25463 1 610 . 1 1 133 133 ARG N N 15 117.916 0.20 . 1 . . . . 133 Arg N . 25463 1 611 . 1 1 134 134 LEU H H 1 7.033 0.02 . 1 . . . . 134 Leu H . 25463 1 612 . 1 1 134 134 LEU C C 13 177.382 0.20 . 1 . . . . 134 Leu C . 25463 1 613 . 1 1 134 134 LEU CA C 13 54.079 0.20 . 1 . . . . 134 Leu CA . 25463 1 614 . 1 1 134 134 LEU CB C 13 40.877 0.20 . 1 . . . . 134 Leu CB . 25463 1 615 . 1 1 134 134 LEU N N 15 116.070 0.20 . 1 . . . . 134 Leu N . 25463 1 616 . 1 1 135 135 SER H H 1 8.502 0.02 . 1 . . . . 135 Ser H . 25463 1 617 . 1 1 135 135 SER C C 13 178.038 0.20 . 1 . . . . 135 Ser C . 25463 1 618 . 1 1 135 135 SER CA C 13 56.584 0.20 . 1 . . . . 135 Ser CA . 25463 1 619 . 1 1 135 135 SER CB C 13 63.043 0.20 . 1 . . . . 135 Ser CB . 25463 1 620 . 1 1 135 135 SER N N 15 118.664 0.20 . 1 . . . . 135 Ser N . 25463 1 621 . 1 1 136 136 PRO C C 13 177.125 0.20 . 1 . . . . 136 Pro C . 25463 1 622 . 1 1 136 136 PRO CA C 13 62.502 0.20 . 1 . . . . 136 Pro CA . 25463 1 623 . 1 1 136 136 PRO CB C 13 31.467 0.20 . 1 . . . . 136 Pro CB . 25463 1 624 . 1 1 137 137 GLU H H 1 8.565 0.02 . 1 . . . . 137 Glu H . 25463 1 625 . 1 1 137 137 GLU C C 13 176.644 0.20 . 1 . . . . 137 Glu C . 25463 1 626 . 1 1 137 137 GLU CA C 13 56.355 0.20 . 1 . . . . 137 Glu CA . 25463 1 627 . 1 1 137 137 GLU CB C 13 29.087 0.20 . 1 . . . . 137 Glu CB . 25463 1 628 . 1 1 137 137 GLU N N 15 121.827 0.20 . 1 . . . . 137 Glu N . 25463 1 629 . 1 1 138 138 GLU H H 1 8.558 0.02 . 1 . . . . 138 Glu H . 25463 1 630 . 1 1 138 138 GLU C C 13 177.126 0.20 . 1 . . . . 138 Glu C . 25463 1 631 . 1 1 138 138 GLU CA C 13 56.478 0.20 . 1 . . . . 138 Glu CA . 25463 1 632 . 1 1 138 138 GLU CB C 13 29.333 0.20 . 1 . . . . 138 Glu CB . 25463 1 633 . 1 1 138 138 GLU N N 15 122.666 0.20 . 1 . . . . 138 Glu N . 25463 1 634 . 1 1 139 139 GLY H H 1 8.365 0.02 . 1 . . . . 139 Gly H . 25463 1 635 . 1 1 139 139 GLY C C 13 173.706 0.20 . 1 . . . . 139 Gly C . 25463 1 636 . 1 1 139 139 GLY CA C 13 44.624 0.20 . 1 . . . . 139 Gly CA . 25463 1 637 . 1 1 139 139 GLY N N 15 110.582 0.20 . 1 . . . . 139 Gly N . 25463 1 638 . 1 1 140 140 ASP H H 1 8.233 0.02 . 1 . . . . 140 Asp H . 25463 1 639 . 1 1 140 140 ASP C C 13 175.221 0.20 . 1 . . . . 140 Asp C . 25463 1 640 . 1 1 140 140 ASP CA C 13 53.899 0.20 . 1 . . . . 140 Asp CA . 25463 1 641 . 1 1 140 140 ASP CB C 13 40.556 0.20 . 1 . . . . 140 Asp CB . 25463 1 642 . 1 1 140 140 ASP N N 15 121.281 0.20 . 1 . . . . 140 Asp N . 25463 1 643 . 1 1 141 141 ASN H H 1 7.962 0.02 . 1 . . . . 141 Asn H . 25463 1 644 . 1 1 141 141 ASN C C 13 179.633 0.20 . 1 . . . . 141 Asn C . 25463 1 645 . 1 1 141 141 ASN CA C 13 54.331 0.20 . 1 . . . . 141 Asn CA . 25463 1 646 . 1 1 141 141 ASN CB C 13 40.710 0.20 . 1 . . . . 141 Asn CB . 25463 1 647 . 1 1 141 141 ASN N N 15 124.396 0.20 . 1 . . . . 141 Asn N . 25463 1 stop_ save_