data_51237 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 51237 _Entry.Title ; Resonance assignments of a phsophomimetic of the C-terminal domain of the P protein of the Nishigahara strain of rabies virus ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2021-12-19 _Entry.Accession_date 2021-12-19 _Entry.Last_release_date 2021-12-19 _Entry.Original_release_date 2021-12-19 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_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 Jingyu Zhan . . . 0000-0001-8940-3663 51237 2 Paul Gooley . R. . 0000-0002-0323-449X 51237 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 51237 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 417 51237 '15N chemical shifts' 122 51237 '1H chemical shifts' 134 51237 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 . . 2022-05-17 2021-12-19 update BMRB 'update entry citation' 51237 1 . . 2022-03-29 2021-12-19 original author 'original release' 51237 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 27498 '1H, 15N and 13C resonance assignments of the C-terminal domain of the P protein of the Nishigahara strain of rabies virus' 51237 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 51237 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 35404083 _Citation.DOI 10.1128/jvi.00111-22 _Citation.Full_citation . _Citation.Title ; Molecular basis of functional effects of protein kinase C phosphorylation of rabies virus P protein ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Virol.' _Citation.Journal_name_full 'Journal of virology' _Citation.Journal_volume 96 _Citation.Journal_issue 9 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1098-5514 _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 e0011122 _Citation.Page_last e0011122 _Citation.Year 2022 _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 Jingyu Zhan . . . . 51237 1 2 Ericka Watts . . . . 51237 1 3 Aaron Brice . . . . 51237 1 4 Riley Metcalfe . D. . . 51237 1 5 Ashish Sethi . . . . 51237 1 6 Fei Yan . . . . 51237 1 7 Ashley Rozario . . . . 51237 1 8 Toby Bell . . . . 51237 1 9 Michael Griffin . D.W. . . 51237 1 10 Gregory Moseley . W. . . 51237 1 11 Paul Gooley . R. . . 51237 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'P protein; C-terminal domain; phosphomimetic; rabies; virus' 51237 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 51237 _Assembly.ID 1 _Assembly.Name 'C-terminal domain of the P protein of the Nishigahara strain of rabies virus, mutated at S210E' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 13042.86 _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 'C-terminal domain' 1 $entity_1 . . yes native no no . . . 51237 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'Innate immune evasion' 51237 1 'Nucleo-cytoplasmic trafficking' 51237 1 'Viral replication' 51237 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 51237 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GHMWSATNEEDDLSVEAEIA HQIAESFEKKYKFPSRSSGI FLYNFEQLKMNLDDIVKEAK NVPGVTRLAHDGSKLPLRCV LGWVALANSKKFQLLVEANK LNKIMQDDLNRYASS ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'The first 3 residues GHM represent a non-native part introduced from cloning.' _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 115 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment 'C-terminal domain encompassing residues 186 to 297 of the phosphoprotein of the Nishigahara strain of rabies' _Entity.Mutation 'S28E (S210E in author sequence); C115S (C297S in author sequence)' _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 13042.86 _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 1 yes UniProt Q9IPJ8 . 'Phosphoprotein - Rabies virus' . . . . . . . . . . . . . . 51237 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 1 183 GLY . 51237 1 2 184 HIS . 51237 1 3 185 MET . 51237 1 4 186 TRP . 51237 1 5 187 SER . 51237 1 6 188 ALA . 51237 1 7 189 THR . 51237 1 8 190 ASN . 51237 1 9 191 GLU . 51237 1 10 192 GLU . 51237 1 11 193 ASP . 51237 1 12 194 ASP . 51237 1 13 195 LEU . 51237 1 14 196 SER . 51237 1 15 197 VAL . 51237 1 16 198 GLU . 51237 1 17 199 ALA . 51237 1 18 200 GLU . 51237 1 19 201 ILE . 51237 1 20 202 ALA . 51237 1 21 203 HIS . 51237 1 22 204 GLN . 51237 1 23 205 ILE . 51237 1 24 206 ALA . 51237 1 25 207 GLU . 51237 1 26 208 SER . 51237 1 27 209 PHE . 51237 1 28 210 GLU . 51237 1 29 211 LYS . 51237 1 30 212 LYS . 51237 1 31 213 TYR . 51237 1 32 214 LYS . 51237 1 33 215 PHE . 51237 1 34 216 PRO . 51237 1 35 217 SER . 51237 1 36 218 ARG . 51237 1 37 219 SER . 51237 1 38 220 SER . 51237 1 39 221 GLY . 51237 1 40 222 ILE . 51237 1 41 223 PHE . 51237 1 42 224 LEU . 51237 1 43 225 TYR . 51237 1 44 226 ASN . 51237 1 45 227 PHE . 51237 1 46 228 GLU . 51237 1 47 229 GLN . 51237 1 48 230 LEU . 51237 1 49 231 LYS . 51237 1 50 232 MET . 51237 1 51 233 ASN . 51237 1 52 234 LEU . 51237 1 53 235 ASP . 51237 1 54 236 ASP . 51237 1 55 237 ILE . 51237 1 56 238 VAL . 51237 1 57 239 LYS . 51237 1 58 240 GLU . 51237 1 59 241 ALA . 51237 1 60 242 LYS . 51237 1 61 243 ASN . 51237 1 62 244 VAL . 51237 1 63 245 PRO . 51237 1 64 246 GLY . 51237 1 65 247 VAL . 51237 1 66 248 THR . 51237 1 67 249 ARG . 51237 1 68 250 LEU . 51237 1 69 251 ALA . 51237 1 70 252 HIS . 51237 1 71 253 ASP . 51237 1 72 254 GLY . 51237 1 73 255 SER . 51237 1 74 256 LYS . 51237 1 75 257 LEU . 51237 1 76 258 PRO . 51237 1 77 259 LEU . 51237 1 78 260 ARG . 51237 1 79 261 CYS . 51237 1 80 262 VAL . 51237 1 81 263 LEU . 51237 1 82 264 GLY . 51237 1 83 265 TRP . 51237 1 84 266 VAL . 51237 1 85 267 ALA . 51237 1 86 268 LEU . 51237 1 87 269 ALA . 51237 1 88 270 ASN . 51237 1 89 271 SER . 51237 1 90 272 LYS . 51237 1 91 273 LYS . 51237 1 92 274 PHE . 51237 1 93 275 GLN . 51237 1 94 276 LEU . 51237 1 95 277 LEU . 51237 1 96 278 VAL . 51237 1 97 279 GLU . 51237 1 98 280 ALA . 51237 1 99 281 ASN . 51237 1 100 282 LYS . 51237 1 101 283 LEU . 51237 1 102 284 ASN . 51237 1 103 285 LYS . 51237 1 104 286 ILE . 51237 1 105 287 MET . 51237 1 106 288 GLN . 51237 1 107 289 ASP . 51237 1 108 290 ASP . 51237 1 109 291 LEU . 51237 1 110 292 ASN . 51237 1 111 293 ARG . 51237 1 112 294 TYR . 51237 1 113 295 ALA . 51237 1 114 296 SER . 51237 1 115 297 SER . 51237 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 51237 1 . HIS 2 2 51237 1 . MET 3 3 51237 1 . TRP 4 4 51237 1 . SER 5 5 51237 1 . ALA 6 6 51237 1 . THR 7 7 51237 1 . ASN 8 8 51237 1 . GLU 9 9 51237 1 . GLU 10 10 51237 1 . ASP 11 11 51237 1 . ASP 12 12 51237 1 . LEU 13 13 51237 1 . SER 14 14 51237 1 . VAL 15 15 51237 1 . GLU 16 16 51237 1 . ALA 17 17 51237 1 . GLU 18 18 51237 1 . ILE 19 19 51237 1 . ALA 20 20 51237 1 . HIS 21 21 51237 1 . GLN 22 22 51237 1 . ILE 23 23 51237 1 . ALA 24 24 51237 1 . GLU 25 25 51237 1 . SER 26 26 51237 1 . PHE 27 27 51237 1 . GLU 28 28 51237 1 . LYS 29 29 51237 1 . LYS 30 30 51237 1 . TYR 31 31 51237 1 . LYS 32 32 51237 1 . PHE 33 33 51237 1 . PRO 34 34 51237 1 . SER 35 35 51237 1 . ARG 36 36 51237 1 . SER 37 37 51237 1 . SER 38 38 51237 1 . GLY 39 39 51237 1 . ILE 40 40 51237 1 . PHE 41 41 51237 1 . LEU 42 42 51237 1 . TYR 43 43 51237 1 . ASN 44 44 51237 1 . PHE 45 45 51237 1 . GLU 46 46 51237 1 . GLN 47 47 51237 1 . LEU 48 48 51237 1 . LYS 49 49 51237 1 . MET 50 50 51237 1 . ASN 51 51 51237 1 . LEU 52 52 51237 1 . ASP 53 53 51237 1 . ASP 54 54 51237 1 . ILE 55 55 51237 1 . VAL 56 56 51237 1 . LYS 57 57 51237 1 . GLU 58 58 51237 1 . ALA 59 59 51237 1 . LYS 60 60 51237 1 . ASN 61 61 51237 1 . VAL 62 62 51237 1 . PRO 63 63 51237 1 . GLY 64 64 51237 1 . VAL 65 65 51237 1 . THR 66 66 51237 1 . ARG 67 67 51237 1 . LEU 68 68 51237 1 . ALA 69 69 51237 1 . HIS 70 70 51237 1 . ASP 71 71 51237 1 . GLY 72 72 51237 1 . SER 73 73 51237 1 . LYS 74 74 51237 1 . LEU 75 75 51237 1 . PRO 76 76 51237 1 . LEU 77 77 51237 1 . ARG 78 78 51237 1 . CYS 79 79 51237 1 . VAL 80 80 51237 1 . LEU 81 81 51237 1 . GLY 82 82 51237 1 . TRP 83 83 51237 1 . VAL 84 84 51237 1 . ALA 85 85 51237 1 . LEU 86 86 51237 1 . ALA 87 87 51237 1 . ASN 88 88 51237 1 . SER 89 89 51237 1 . LYS 90 90 51237 1 . LYS 91 91 51237 1 . PHE 92 92 51237 1 . GLN 93 93 51237 1 . LEU 94 94 51237 1 . LEU 95 95 51237 1 . VAL 96 96 51237 1 . GLU 97 97 51237 1 . ALA 98 98 51237 1 . ASN 99 99 51237 1 . LYS 100 100 51237 1 . LEU 101 101 51237 1 . ASN 102 102 51237 1 . LYS 103 103 51237 1 . ILE 104 104 51237 1 . MET 105 105 51237 1 . GLN 106 106 51237 1 . ASP 107 107 51237 1 . ASP 108 108 51237 1 . LEU 109 109 51237 1 . ASN 110 110 51237 1 . ARG 111 111 51237 1 . TYR 112 112 51237 1 . ALA 113 113 51237 1 . SER 114 114 51237 1 . SER 115 115 51237 1 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 51237 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . . organism . 'genus Lyssavirus, rabies virus' 'Rabies lyssavirus' . . Viruses . lyssavirus 'Rabies lyssavirus' Nishigahara . . . . . . . . . . . . 51237 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 51237 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) . . plasmid . . pET28a . . . 51237 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 51237 _Sample.ID 1 _Sample.Name 15N _Sample.Type solution _Sample.Sub_type . _Sample.Details '50 mM phosphate buffer (pH 6.8), 100 mM sodium chloride' _Sample.Aggregate_sample_number 1 _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 'Phosphomimetic of P protein C-terminal domain' '[U-98% 15N]' . . 1 $entity_1 . . 0.45 0.4 0.5 mM . . . . 51237 1 2 'phosphate buffer' 'natural abundance' . . . . . . 50 . . mM . . . . 51237 1 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 51237 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 51237 _Sample.ID 2 _Sample.Name 13C/15N _Sample.Type solution _Sample.Sub_type . _Sample.Details '50 mM phosphate buffer (pH 6.8), 100 mM sodium chloride' _Sample.Aggregate_sample_number 1 _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 'Phosphomimetic of P protein C-terminal domain' '[U-98% 13C; U-98% 15N]' . . . . . . 0.4-0.5 . . mM . . . . 51237 2 2 'phosphate buffer' 'natural abundance' . . . . . . 50 . . mM . . . . 51237 2 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 51237 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 51237 _Sample_condition_list.ID 1 _Sample_condition_list.Name 15N _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' 0.2 . M 51237 1 pH 6.8 . pH 51237 1 pressure 1 . atm 51237 1 temperature 298 . K 51237 1 stop_ save_ save_sample_conditions_2 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_2 _Sample_condition_list.Entry_ID 51237 _Sample_condition_list.ID 2 _Sample_condition_list.Name 15N/13C _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' 0.2 . M 51237 2 pH 6.8 . pH 51237 2 pressure 1 . atm 51237 2 temperature 298 . K 51237 2 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 51237 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version 3 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 51237 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 51237 _Software.ID 2 _Software.Type . _Software.Name NMRPipe _Software.Version 10.9 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 51237 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 51237 _Software.ID 3 _Software.Type . _Software.Name SMILE _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 51237 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 51237 _Software.ID 4 _Software.Type . _Software.Name NMRFAM-SPARKY _Software.Version 1.470 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 51237 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 51237 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name Bio700 _NMR_spectrometer.Details 'TCI cryoprobe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 51237 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_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.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51237 1 2 '3D HNCO' no yes no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51237 1 3 '3D HN(CO)CA' no yes no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51237 1 4 '3D HNCACB' no yes no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51237 1 5 '3D HN(CO)CACB' no yes no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51237 1 6 '3D C(CO)NH' no yes no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51237 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 51237 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name chemical_shift_reference_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 na indirect 0.251449530 . . . . . 51237 1 H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1 . . . . . 51237 1 N 15 DSS 'methyl protons' . . . . ppm 0 na indirect 0.101329118 . . . . . 51237 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 51237 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sample_condition_list_ID 2 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_2 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 51237 1 2 '3D HNCO' . . . 51237 1 3 '3D HN(CO)CA' . . . 51237 1 4 '3D HNCACB' . . . 51237 1 5 '3D HN(CO)CACB' . . . 51237 1 6 '3D C(CO)NH' . . . 51237 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 4 $software_4 . . 51237 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 3 3 MET C C 13 175.578 0.00 . . . . . . . 185 MET C . 51237 1 2 . 1 . 1 3 3 MET CA C 13 55.556 0.03 . . . . . . . 185 MET CA . 51237 1 3 . 1 . 1 3 3 MET CB C 13 32.856 0.01 . . . . . . . 185 MET CB . 51237 1 4 . 1 . 1 3 3 MET CG C 13 31.838 0.00 . . . . . . . 185 MET CG . 51237 1 5 . 1 . 1 4 4 TRP H H 1 8.266 0.00 . . . . . . . 186 TRP H . 51237 1 6 . 1 . 1 4 4 TRP HE1 H 1 10.117 0.00 . . . . . . . 186 TRP HE1 . 51237 1 7 . 1 . 1 4 4 TRP C C 13 175.779 0.01 . . . . . . . 186 TRP C . 51237 1 8 . 1 . 1 4 4 TRP CA C 13 57.770 0.01 . . . . . . . 186 TRP CA . 51237 1 9 . 1 . 1 4 4 TRP CB C 13 29.657 0.02 . . . . . . . 186 TRP CB . 51237 1 10 . 1 . 1 4 4 TRP N N 15 122.805 0.02 . . . . . . . 186 TRP N . 51237 1 11 . 1 . 1 4 4 TRP NE1 N 15 129.645 0.00 . . . . . . . 186 TRP NE1 . 51237 1 12 . 1 . 1 5 5 SER H H 1 7.808 0.00 . . . . . . . 187 SER H . 51237 1 13 . 1 . 1 5 5 SER C C 13 173.325 0.01 . . . . . . . 187 SER C . 51237 1 14 . 1 . 1 5 5 SER CA C 13 57.744 0.04 . . . . . . . 187 SER CA . 51237 1 15 . 1 . 1 5 5 SER CB C 13 64.230 0.02 . . . . . . . 187 SER CB . 51237 1 16 . 1 . 1 5 5 SER N N 15 118.042 0.01 . . . . . . . 187 SER N . 51237 1 17 . 1 . 1 6 6 ALA H H 1 8.197 0.00 . . . . . . . 188 ALA H . 51237 1 18 . 1 . 1 6 6 ALA C C 13 177.978 0.02 . . . . . . . 188 ALA C . 51237 1 19 . 1 . 1 6 6 ALA CA C 13 52.710 0.03 . . . . . . . 188 ALA CA . 51237 1 20 . 1 . 1 6 6 ALA CB C 13 19.262 0.03 . . . . . . . 188 ALA CB . 51237 1 21 . 1 . 1 6 6 ALA N N 15 125.923 0.04 . . . . . . . 188 ALA N . 51237 1 22 . 1 . 1 7 7 THR H H 1 8.196 0.00 . . . . . . . 189 THR H . 51237 1 23 . 1 . 1 7 7 THR C C 13 174.348 0.01 . . . . . . . 189 THR C . 51237 1 24 . 1 . 1 7 7 THR CA C 13 61.933 0.01 . . . . . . . 189 THR CA . 51237 1 25 . 1 . 1 7 7 THR CB C 13 69.861 0.01 . . . . . . . 189 THR CB . 51237 1 26 . 1 . 1 7 7 THR CG2 C 13 21.682 0.00 . . . . . . . 189 THR CG2 . 51237 1 27 . 1 . 1 7 7 THR N N 15 112.424 0.02 . . . . . . . 189 THR N . 51237 1 28 . 1 . 1 8 8 ASN H H 1 8.300 0.00 . . . . . . . 190 ASN H . 51237 1 29 . 1 . 1 8 8 ASN HD21 H 1 7.572 0.00 . . . . . . . 190 ASN HD21 . 51237 1 30 . 1 . 1 8 8 ASN HD22 H 1 6.904 0.00 . . . . . . . 190 ASN HD22 . 51237 1 31 . 1 . 1 8 8 ASN C C 13 175.304 0.01 . . . . . . . 190 ASN C . 51237 1 32 . 1 . 1 8 8 ASN CA C 13 53.278 0.03 . . . . . . . 190 ASN CA . 51237 1 33 . 1 . 1 8 8 ASN CB C 13 39.142 0.02 . . . . . . . 190 ASN CB . 51237 1 34 . 1 . 1 8 8 ASN N N 15 120.179 0.03 . . . . . . . 190 ASN N . 51237 1 35 . 1 . 1 8 8 ASN ND2 N 15 113.094 0.00 . . . . . . . 190 ASN ND2 . 51237 1 36 . 1 . 1 9 9 GLU H H 1 8.550 0.00 . . . . . . . 191 GLU H . 51237 1 37 . 1 . 1 9 9 GLU C C 13 177.081 0.01 . . . . . . . 191 GLU C . 51237 1 38 . 1 . 1 9 9 GLU CA C 13 57.795 0.02 . . . . . . . 191 GLU CA . 51237 1 39 . 1 . 1 9 9 GLU CB C 13 30.059 0.00 . . . . . . . 191 GLU CB . 51237 1 40 . 1 . 1 9 9 GLU CG C 13 36.442 0.00 . . . . . . . 191 GLU CG . 51237 1 41 . 1 . 1 9 9 GLU N N 15 121.457 0.02 . . . . . . . 191 GLU N . 51237 1 42 . 1 . 1 10 10 GLU H H 1 8.432 0.00 . . . . . . . 192 GLU H . 51237 1 43 . 1 . 1 10 10 GLU C C 13 177.204 0.04 . . . . . . . 192 GLU C . 51237 1 44 . 1 . 1 10 10 GLU CA C 13 57.769 0.03 . . . . . . . 192 GLU CA . 51237 1 45 . 1 . 1 10 10 GLU CB C 13 29.879 0.04 . . . . . . . 192 GLU CB . 51237 1 46 . 1 . 1 10 10 GLU CG C 13 36.469 0.00 . . . . . . . 192 GLU CG . 51237 1 47 . 1 . 1 10 10 GLU N N 15 120.459 0.01 . . . . . . . 192 GLU N . 51237 1 48 . 1 . 1 11 11 ASP H H 1 8.287 0.00 . . . . . . . 193 ASP H . 51237 1 49 . 1 . 1 11 11 ASP C C 13 176.673 0.01 . . . . . . . 193 ASP C . 51237 1 50 . 1 . 1 11 11 ASP CA C 13 55.248 0.00 . . . . . . . 193 ASP CA . 51237 1 51 . 1 . 1 11 11 ASP CB C 13 41.253 0.01 . . . . . . . 193 ASP CB . 51237 1 52 . 1 . 1 11 11 ASP N N 15 120.966 0.11 . . . . . . . 193 ASP N . 51237 1 53 . 1 . 1 12 12 ASP H H 1 8.126 0.00 . . . . . . . 194 ASP H . 51237 1 54 . 1 . 1 12 12 ASP C C 13 177.456 0.02 . . . . . . . 194 ASP C . 51237 1 55 . 1 . 1 12 12 ASP CA C 13 55.846 0.10 . . . . . . . 194 ASP CA . 51237 1 56 . 1 . 1 12 12 ASP CB C 13 41.316 0.02 . . . . . . . 194 ASP CB . 51237 1 57 . 1 . 1 12 12 ASP N N 15 120.895 0.02 . . . . . . . 194 ASP N . 51237 1 58 . 1 . 1 13 13 LEU H H 1 8.289 0.00 . . . . . . . 195 LEU H . 51237 1 59 . 1 . 1 13 13 LEU C C 13 179.514 0.01 . . . . . . . 195 LEU C . 51237 1 60 . 1 . 1 13 13 LEU CA C 13 57.287 0.06 . . . . . . . 195 LEU CA . 51237 1 61 . 1 . 1 13 13 LEU CB C 13 41.517 0.03 . . . . . . . 195 LEU CB . 51237 1 62 . 1 . 1 13 13 LEU CG C 13 26.998 0.00 . . . . . . . 195 LEU CG . 51237 1 63 . 1 . 1 13 13 LEU CD1 C 13 25.130 0.00 . . . . . . . 195 LEU CD1 . 51237 1 64 . 1 . 1 13 13 LEU CD2 C 13 23.342 0.00 . . . . . . . 195 LEU CD2 . 51237 1 65 . 1 . 1 13 13 LEU N N 15 121.621 0.05 . . . . . . . 195 LEU N . 51237 1 66 . 1 . 1 14 14 SER H H 1 8.290 0.00 . . . . . . . 196 SER H . 51237 1 67 . 1 . 1 14 14 SER C C 13 177.163 0.00 . . . . . . . 196 SER C . 51237 1 68 . 1 . 1 14 14 SER CA C 13 61.142 0.01 . . . . . . . 196 SER CA . 51237 1 69 . 1 . 1 14 14 SER CB C 13 62.765 0.05 . . . . . . . 196 SER CB . 51237 1 70 . 1 . 1 14 14 SER N N 15 116.557 0.03 . . . . . . . 196 SER N . 51237 1 71 . 1 . 1 15 15 VAL H H 1 7.998 0.00 . . . . . . . 197 VAL H . 51237 1 72 . 1 . 1 15 15 VAL C C 13 177.437 0.01 . . . . . . . 197 VAL C . 51237 1 73 . 1 . 1 15 15 VAL CA C 13 66.323 0.03 . . . . . . . 197 VAL CA . 51237 1 74 . 1 . 1 15 15 VAL CB C 13 31.879 0.02 . . . . . . . 197 VAL CB . 51237 1 75 . 1 . 1 15 15 VAL CG1 C 13 21.693 0.00 . . . . . . . 197 VAL CG1 . 51237 1 76 . 1 . 1 15 15 VAL CG2 C 13 23.006 0.00 . . . . . . . 197 VAL CG2 . 51237 1 77 . 1 . 1 15 15 VAL N N 15 123.443 0.01 . . . . . . . 197 VAL N . 51237 1 78 . 1 . 1 16 16 GLU H H 1 8.252 0.00 . . . . . . . 198 GLU H . 51237 1 79 . 1 . 1 16 16 GLU C C 13 178.009 0.02 . . . . . . . 198 GLU C . 51237 1 80 . 1 . 1 16 16 GLU CA C 13 60.987 0.01 . . . . . . . 198 GLU CA . 51237 1 81 . 1 . 1 16 16 GLU CB C 13 28.881 0.03 . . . . . . . 198 GLU CB . 51237 1 82 . 1 . 1 16 16 GLU CG C 13 38.056 0.00 . . . . . . . 198 GLU CG . 51237 1 83 . 1 . 1 16 16 GLU N N 15 118.963 0.02 . . . . . . . 198 GLU N . 51237 1 84 . 1 . 1 17 17 ALA H H 1 8.026 0.00 . . . . . . . 199 ALA H . 51237 1 85 . 1 . 1 17 17 ALA C C 13 180.113 0.00 . . . . . . . 199 ALA C . 51237 1 86 . 1 . 1 17 17 ALA CA C 13 54.877 0.00 . . . . . . . 199 ALA CA . 51237 1 87 . 1 . 1 17 17 ALA CB C 13 18.048 0.01 . . . . . . . 199 ALA CB . 51237 1 88 . 1 . 1 17 17 ALA N N 15 120.222 0.03 . . . . . . . 199 ALA N . 51237 1 89 . 1 . 1 18 18 GLU H H 1 7.716 0.00 . . . . . . . 200 GLU H . 51237 1 90 . 1 . 1 18 18 GLU C C 13 178.322 0.01 . . . . . . . 200 GLU C . 51237 1 91 . 1 . 1 18 18 GLU CA C 13 58.832 0.04 . . . . . . . 200 GLU CA . 51237 1 92 . 1 . 1 18 18 GLU CB C 13 29.657 0.02 . . . . . . . 200 GLU CB . 51237 1 93 . 1 . 1 18 18 GLU CG C 13 35.090 0.00 . . . . . . . 200 GLU CG . 51237 1 94 . 1 . 1 18 18 GLU N N 15 120.381 0.02 . . . . . . . 200 GLU N . 51237 1 95 . 1 . 1 19 19 ILE H H 1 8.028 0.00 . . . . . . . 201 ILE H . 51237 1 96 . 1 . 1 19 19 ILE C C 13 177.411 0.02 . . . . . . . 201 ILE C . 51237 1 97 . 1 . 1 19 19 ILE CA C 13 66.047 0.00 . . . . . . . 201 ILE CA . 51237 1 98 . 1 . 1 19 19 ILE CB C 13 37.936 0.00 . . . . . . . 201 ILE CB . 51237 1 99 . 1 . 1 19 19 ILE CG1 C 13 27.407 0.00 . . . . . . . 201 ILE CG1 . 51237 1 100 . 1 . 1 19 19 ILE N N 15 118.441 0.03 . . . . . . . 201 ILE N . 51237 1 101 . 1 . 1 20 20 ALA H H 1 8.530 0.01 . . . . . . . 202 ALA H . 51237 1 102 . 1 . 1 20 20 ALA C C 13 179.132 0.02 . . . . . . . 202 ALA C . 51237 1 103 . 1 . 1 20 20 ALA CA C 13 55.632 0.04 . . . . . . . 202 ALA CA . 51237 1 104 . 1 . 1 20 20 ALA CB C 13 18.376 0.08 . . . . . . . 202 ALA CB . 51237 1 105 . 1 . 1 20 20 ALA N N 15 119.455 0.04 . . . . . . . 202 ALA N . 51237 1 106 . 1 . 1 21 21 HIS H H 1 8.211 0.00 . . . . . . . 203 HIS H . 51237 1 107 . 1 . 1 21 21 HIS C C 13 177.388 0.01 . . . . . . . 203 HIS C . 51237 1 108 . 1 . 1 21 21 HIS CA C 13 59.128 0.02 . . . . . . . 203 HIS CA . 51237 1 109 . 1 . 1 21 21 HIS CB C 13 29.296 0.03 . . . . . . . 203 HIS CB . 51237 1 110 . 1 . 1 21 21 HIS N N 15 116.067 0.02 . . . . . . . 203 HIS N . 51237 1 111 . 1 . 1 22 22 GLN H H 1 7.999 0.01 . . . . . . . 204 GLN H . 51237 1 112 . 1 . 1 22 22 GLN HE21 H 1 9.430 0.00 . . . . . . . 204 GLN HE21 . 51237 1 113 . 1 . 1 22 22 GLN HE22 H 1 7.426 0.00 . . . . . . . 204 GLN HE22 . 51237 1 114 . 1 . 1 22 22 GLN C C 13 179.649 0.00 . . . . . . . 204 GLN C . 51237 1 115 . 1 . 1 22 22 GLN CA C 13 60.717 0.03 . . . . . . . 204 GLN CA . 51237 1 116 . 1 . 1 22 22 GLN CB C 13 28.930 0.03 . . . . . . . 204 GLN CB . 51237 1 117 . 1 . 1 22 22 GLN N N 15 116.810 0.04 . . . . . . . 204 GLN N . 51237 1 118 . 1 . 1 22 22 GLN NE2 N 15 115.940 0.00 . . . . . . . 204 GLN NE2 . 51237 1 119 . 1 . 1 23 23 ILE H H 1 8.296 0.00 . . . . . . . 205 ILE H . 51237 1 120 . 1 . 1 23 23 ILE C C 13 177.202 0.01 . . . . . . . 205 ILE C . 51237 1 121 . 1 . 1 23 23 ILE CA C 13 66.168 0.02 . . . . . . . 205 ILE CA . 51237 1 122 . 1 . 1 23 23 ILE CB C 13 37.456 0.06 . . . . . . . 205 ILE CB . 51237 1 123 . 1 . 1 23 23 ILE CG2 C 13 15.603 0.00 . . . . . . . 205 ILE CG2 . 51237 1 124 . 1 . 1 23 23 ILE N N 15 119.801 0.02 . . . . . . . 205 ILE N . 51237 1 125 . 1 . 1 24 24 ALA H H 1 8.630 0.00 . . . . . . . 206 ALA H . 51237 1 126 . 1 . 1 24 24 ALA C C 13 181.660 0.01 . . . . . . . 206 ALA C . 51237 1 127 . 1 . 1 24 24 ALA CA C 13 55.922 0.01 . . . . . . . 206 ALA CA . 51237 1 128 . 1 . 1 24 24 ALA CB C 13 18.071 0.01 . . . . . . . 206 ALA CB . 51237 1 129 . 1 . 1 24 24 ALA N N 15 120.869 0.02 . . . . . . . 206 ALA N . 51237 1 130 . 1 . 1 25 25 GLU H H 1 7.891 0.00 . . . . . . . 207 GLU H . 51237 1 131 . 1 . 1 25 25 GLU C C 13 177.518 0.02 . . . . . . . 207 GLU C . 51237 1 132 . 1 . 1 25 25 GLU CA C 13 58.830 0.04 . . . . . . . 207 GLU CA . 51237 1 133 . 1 . 1 25 25 GLU CB C 13 29.966 0.01 . . . . . . . 207 GLU CB . 51237 1 134 . 1 . 1 25 25 GLU CG C 13 36.630 0.00 . . . . . . . 207 GLU CG . 51237 1 135 . 1 . 1 25 25 GLU N N 15 116.402 0.02 . . . . . . . 207 GLU N . 51237 1 136 . 1 . 1 26 26 SER H H 1 7.345 0.00 . . . . . . . 208 SER H . 51237 1 137 . 1 . 1 26 26 SER C C 13 176.318 0.01 . . . . . . . 208 SER C . 51237 1 138 . 1 . 1 26 26 SER CA C 13 57.353 0.02 . . . . . . . 208 SER CA . 51237 1 139 . 1 . 1 26 26 SER CB C 13 64.373 0.11 . . . . . . . 208 SER CB . 51237 1 140 . 1 . 1 26 26 SER N N 15 113.773 0.02 . . . . . . . 208 SER N . 51237 1 141 . 1 . 1 27 27 PHE H H 1 7.354 0.00 . . . . . . . 209 PHE H . 51237 1 142 . 1 . 1 27 27 PHE C C 13 175.164 0.01 . . . . . . . 209 PHE C . 51237 1 143 . 1 . 1 27 27 PHE CA C 13 63.153 0.04 . . . . . . . 209 PHE CA . 51237 1 144 . 1 . 1 27 27 PHE CB C 13 41.187 0.02 . . . . . . . 209 PHE CB . 51237 1 145 . 1 . 1 27 27 PHE N N 15 125.598 0.03 . . . . . . . 209 PHE N . 51237 1 146 . 1 . 1 28 28 GLU H H 1 8.510 0.00 . . . . . . . 210 GLU H . 51237 1 147 . 1 . 1 28 28 GLU C C 13 177.527 0.02 . . . . . . . 210 GLU C . 51237 1 148 . 1 . 1 28 28 GLU CA C 13 54.939 0.04 . . . . . . . 210 GLU CA . 51237 1 149 . 1 . 1 28 28 GLU CB C 13 30.756 0.02 . . . . . . . 210 GLU CB . 51237 1 150 . 1 . 1 28 28 GLU CG C 13 37.371 0.00 . . . . . . . 210 GLU CG . 51237 1 151 . 1 . 1 28 28 GLU N N 15 109.326 0.01 . . . . . . . 210 GLU N . 51237 1 152 . 1 . 1 29 29 LYS H H 1 7.334 0.00 . . . . . . . 211 LYS H . 51237 1 153 . 1 . 1 29 29 LYS C C 13 174.812 0.03 . . . . . . . 211 LYS C . 51237 1 154 . 1 . 1 29 29 LYS CA C 13 57.338 0.01 . . . . . . . 211 LYS CA . 51237 1 155 . 1 . 1 29 29 LYS CB C 13 32.683 0.04 . . . . . . . 211 LYS CB . 51237 1 156 . 1 . 1 29 29 LYS CG C 13 24.634 0.00 . . . . . . . 211 LYS CG . 51237 1 157 . 1 . 1 29 29 LYS N N 15 125.011 0.02 . . . . . . . 211 LYS N . 51237 1 158 . 1 . 1 30 30 LYS H H 1 8.460 0.00 . . . . . . . 212 LYS H . 51237 1 159 . 1 . 1 30 30 LYS C C 13 175.718 0.02 . . . . . . . 212 LYS C . 51237 1 160 . 1 . 1 30 30 LYS CA C 13 56.223 0.04 . . . . . . . 212 LYS CA . 51237 1 161 . 1 . 1 30 30 LYS CB C 13 32.769 0.02 . . . . . . . 212 LYS CB . 51237 1 162 . 1 . 1 30 30 LYS CG C 13 26.195 0.00 . . . . . . . 212 LYS CG . 51237 1 163 . 1 . 1 30 30 LYS CD C 13 29.446 0.00 . . . . . . . 212 LYS CD . 51237 1 164 . 1 . 1 30 30 LYS N N 15 124.515 0.02 . . . . . . . 212 LYS N . 51237 1 165 . 1 . 1 31 31 TYR H H 1 8.795 0.00 . . . . . . . 213 TYR H . 51237 1 166 . 1 . 1 31 31 TYR C C 13 173.519 0.01 . . . . . . . 213 TYR C . 51237 1 167 . 1 . 1 31 31 TYR CA C 13 57.635 0.05 . . . . . . . 213 TYR CA . 51237 1 168 . 1 . 1 31 31 TYR CB C 13 41.429 0.05 . . . . . . . 213 TYR CB . 51237 1 169 . 1 . 1 31 31 TYR N N 15 124.792 0.03 . . . . . . . 213 TYR N . 51237 1 170 . 1 . 1 32 32 LYS H H 1 8.172 0.00 . . . . . . . 214 LYS H . 51237 1 171 . 1 . 1 32 32 LYS C C 13 175.226 0.01 . . . . . . . 214 LYS C . 51237 1 172 . 1 . 1 32 32 LYS CA C 13 56.260 0.04 . . . . . . . 214 LYS CA . 51237 1 173 . 1 . 1 32 32 LYS CB C 13 34.421 0.05 . . . . . . . 214 LYS CB . 51237 1 174 . 1 . 1 32 32 LYS CG C 13 25.482 0.00 . . . . . . . 214 LYS CG . 51237 1 175 . 1 . 1 32 32 LYS N N 15 118.197 0.08 . . . . . . . 214 LYS N . 51237 1 176 . 1 . 1 33 33 PHE H H 1 8.621 0.00 . . . . . . . 215 PHE H . 51237 1 177 . 1 . 1 33 33 PHE C C 13 172.258 0.00 . . . . . . . 215 PHE C . 51237 1 178 . 1 . 1 33 33 PHE CA C 13 55.610 0.00 . . . . . . . 215 PHE CA . 51237 1 179 . 1 . 1 33 33 PHE CB C 13 42.180 0.00 . . . . . . . 215 PHE CB . 51237 1 180 . 1 . 1 33 33 PHE N N 15 118.789 0.02 . . . . . . . 215 PHE N . 51237 1 181 . 1 . 1 34 34 PRO C C 13 176.607 0.00 . . . . . . . 216 PRO C . 51237 1 182 . 1 . 1 34 34 PRO CA C 13 62.324 0.00 . . . . . . . 216 PRO CA . 51237 1 183 . 1 . 1 34 34 PRO CB C 13 31.799 0.00 . . . . . . . 216 PRO CB . 51237 1 184 . 1 . 1 35 35 SER H H 1 8.558 0.00 . . . . . . . 217 SER H . 51237 1 185 . 1 . 1 35 35 SER C C 13 176.285 0.01 . . . . . . . 217 SER C . 51237 1 186 . 1 . 1 35 35 SER CA C 13 56.549 0.05 . . . . . . . 217 SER CA . 51237 1 187 . 1 . 1 35 35 SER CB C 13 65.002 0.01 . . . . . . . 217 SER CB . 51237 1 188 . 1 . 1 35 35 SER N N 15 119.535 0.04 . . . . . . . 217 SER N . 51237 1 189 . 1 . 1 36 36 ARG H H 1 8.433 0.00 . . . . . . . 218 ARG H . 51237 1 190 . 1 . 1 36 36 ARG CA C 13 58.878 0.00 . . . . . . . 218 ARG CA . 51237 1 191 . 1 . 1 36 36 ARG CB C 13 29.938 0.00 . . . . . . . 218 ARG CB . 51237 1 192 . 1 . 1 36 36 ARG N N 15 123.481 0.02 . . . . . . . 218 ARG N . 51237 1 193 . 1 . 1 37 37 SER C C 13 174.261 0.00 . . . . . . . 219 SER C . 51237 1 194 . 1 . 1 37 37 SER CA C 13 58.208 0.00 . . . . . . . 219 SER CA . 51237 1 195 . 1 . 1 37 37 SER CB C 13 62.894 0.03 . . . . . . . 219 SER CB . 51237 1 196 . 1 . 1 38 38 SER H H 1 7.777 0.01 . . . . . . . 220 SER H . 51237 1 197 . 1 . 1 38 38 SER C C 13 173.950 0.00 . . . . . . . 220 SER C . 51237 1 198 . 1 . 1 38 38 SER CA C 13 59.654 0.00 . . . . . . . 220 SER CA . 51237 1 199 . 1 . 1 38 38 SER CB C 13 62.722 0.09 . . . . . . . 220 SER CB . 51237 1 200 . 1 . 1 38 38 SER N N 15 113.402 0.04 . . . . . . . 220 SER N . 51237 1 201 . 1 . 1 39 39 GLY H H 1 8.098 0.00 . . . . . . . 221 GLY H . 51237 1 202 . 1 . 1 39 39 GLY C C 13 174.589 0.00 . . . . . . . 221 GLY C . 51237 1 203 . 1 . 1 39 39 GLY CA C 13 44.937 0.05 . . . . . . . 221 GLY CA . 51237 1 204 . 1 . 1 39 39 GLY N N 15 109.497 0.02 . . . . . . . 221 GLY N . 51237 1 205 . 1 . 1 40 40 ILE H H 1 8.576 0.00 . . . . . . . 222 ILE H . 51237 1 206 . 1 . 1 40 40 ILE C C 13 176.110 0.01 . . . . . . . 222 ILE C . 51237 1 207 . 1 . 1 40 40 ILE CA C 13 58.852 0.01 . . . . . . . 222 ILE CA . 51237 1 208 . 1 . 1 40 40 ILE CB C 13 42.906 0.05 . . . . . . . 222 ILE CB . 51237 1 209 . 1 . 1 40 40 ILE CG1 C 13 26.569 0.00 . . . . . . . 222 ILE CG1 . 51237 1 210 . 1 . 1 40 40 ILE CG2 C 13 19.317 0.00 . . . . . . . 222 ILE CG2 . 51237 1 211 . 1 . 1 40 40 ILE N N 15 120.227 0.03 . . . . . . . 222 ILE N . 51237 1 212 . 1 . 1 41 41 PHE H H 1 9.262 0.00 . . . . . . . 223 PHE H . 51237 1 213 . 1 . 1 41 41 PHE C C 13 171.788 0.01 . . . . . . . 223 PHE C . 51237 1 214 . 1 . 1 41 41 PHE CA C 13 55.828 0.02 . . . . . . . 223 PHE CA . 51237 1 215 . 1 . 1 41 41 PHE CB C 13 41.765 0.01 . . . . . . . 223 PHE CB . 51237 1 216 . 1 . 1 41 41 PHE N N 15 121.737 0.01 . . . . . . . 223 PHE N . 51237 1 217 . 1 . 1 42 42 LEU H H 1 8.565 0.01 . . . . . . . 224 LEU H . 51237 1 218 . 1 . 1 42 42 LEU C C 13 177.213 0.00 . . . . . . . 224 LEU C . 51237 1 219 . 1 . 1 42 42 LEU CA C 13 52.953 0.02 . . . . . . . 224 LEU CA . 51237 1 220 . 1 . 1 42 42 LEU CB C 13 44.429 0.00 . . . . . . . 224 LEU CB . 51237 1 221 . 1 . 1 42 42 LEU CD1 C 13 25.565 0.00 . . . . . . . 224 LEU CD1 . 51237 1 222 . 1 . 1 42 42 LEU CD2 C 13 24.022 0.00 . . . . . . . 224 LEU CD2 . 51237 1 223 . 1 . 1 42 42 LEU N N 15 120.220 0.04 . . . . . . . 224 LEU N . 51237 1 224 . 1 . 1 43 43 TYR H H 1 9.233 0.00 . . . . . . . 225 TYR H . 51237 1 225 . 1 . 1 43 43 TYR C C 13 172.822 0.02 . . . . . . . 225 TYR C . 51237 1 226 . 1 . 1 43 43 TYR CA C 13 58.681 0.00 . . . . . . . 225 TYR CA . 51237 1 227 . 1 . 1 43 43 TYR CB C 13 45.810 0.09 . . . . . . . 225 TYR CB . 51237 1 228 . 1 . 1 43 43 TYR N N 15 124.578 0.02 . . . . . . . 225 TYR N . 51237 1 229 . 1 . 1 44 44 ASN H H 1 6.963 0.00 . . . . . . . 226 ASN H . 51237 1 230 . 1 . 1 44 44 ASN HD21 H 1 7.435 0.00 . . . . . . . 226 ASN HD21 . 51237 1 231 . 1 . 1 44 44 ASN HD22 H 1 6.825 0.00 . . . . . . . 226 ASN HD22 . 51237 1 232 . 1 . 1 44 44 ASN C C 13 173.714 0.01 . . . . . . . 226 ASN C . 51237 1 233 . 1 . 1 44 44 ASN CA C 13 51.188 0.02 . . . . . . . 226 ASN CA . 51237 1 234 . 1 . 1 44 44 ASN CB C 13 41.912 0.05 . . . . . . . 226 ASN CB . 51237 1 235 . 1 . 1 44 44 ASN N N 15 118.781 0.01 . . . . . . . 226 ASN N . 51237 1 236 . 1 . 1 44 44 ASN ND2 N 15 108.148 0.00 . . . . . . . 226 ASN ND2 . 51237 1 237 . 1 . 1 45 45 PHE H H 1 9.196 0.00 . . . . . . . 227 PHE H . 51237 1 238 . 1 . 1 45 45 PHE C C 13 179.542 0.01 . . . . . . . 227 PHE C . 51237 1 239 . 1 . 1 45 45 PHE CA C 13 62.094 0.05 . . . . . . . 227 PHE CA . 51237 1 240 . 1 . 1 45 45 PHE CB C 13 39.335 0.02 . . . . . . . 227 PHE CB . 51237 1 241 . 1 . 1 45 45 PHE N N 15 115.295 0.03 . . . . . . . 227 PHE N . 51237 1 242 . 1 . 1 46 46 GLU H H 1 7.102 0.00 . . . . . . . 228 GLU H . 51237 1 243 . 1 . 1 46 46 GLU C C 13 178.189 0.01 . . . . . . . 228 GLU C . 51237 1 244 . 1 . 1 46 46 GLU CA C 13 59.852 0.00 . . . . . . . 228 GLU CA . 51237 1 245 . 1 . 1 46 46 GLU CB C 13 28.656 0.02 . . . . . . . 228 GLU CB . 51237 1 246 . 1 . 1 46 46 GLU CG C 13 36.100 0.00 . . . . . . . 228 GLU CG . 51237 1 247 . 1 . 1 46 46 GLU N N 15 121.768 0.04 . . . . . . . 228 GLU N . 51237 1 248 . 1 . 1 47 47 GLN H H 1 7.678 0.00 . . . . . . . 229 GLN H . 51237 1 249 . 1 . 1 47 47 GLN HE21 H 1 7.133 0.00 . . . . . . . 229 GLN HE21 . 51237 1 250 . 1 . 1 47 47 GLN HE22 H 1 6.843 0.00 . . . . . . . 229 GLN HE22 . 51237 1 251 . 1 . 1 47 47 GLN C C 13 177.281 0.01 . . . . . . . 229 GLN C . 51237 1 252 . 1 . 1 47 47 GLN CA C 13 58.124 0.02 . . . . . . . 229 GLN CA . 51237 1 253 . 1 . 1 47 47 GLN CB C 13 29.718 0.00 . . . . . . . 229 GLN CB . 51237 1 254 . 1 . 1 47 47 GLN CG C 13 36.000 0.00 . . . . . . . 229 GLN CG . 51237 1 255 . 1 . 1 47 47 GLN N N 15 115.664 0.01 . . . . . . . 229 GLN N . 51237 1 256 . 1 . 1 47 47 GLN NE2 N 15 110.615 0.00 . . . . . . . 229 GLN NE2 . 51237 1 257 . 1 . 1 48 48 LEU H H 1 7.538 0.00 . . . . . . . 230 LEU H . 51237 1 258 . 1 . 1 48 48 LEU C C 13 176.972 0.01 . . . . . . . 230 LEU C . 51237 1 259 . 1 . 1 48 48 LEU CA C 13 56.734 0.06 . . . . . . . 230 LEU CA . 51237 1 260 . 1 . 1 48 48 LEU CB C 13 41.953 0.02 . . . . . . . 230 LEU CB . 51237 1 261 . 1 . 1 48 48 LEU CD1 C 13 26.686 0.00 . . . . . . . 230 LEU CD1 . 51237 1 262 . 1 . 1 48 48 LEU N N 15 117.881 0.01 . . . . . . . 230 LEU N . 51237 1 263 . 1 . 1 49 49 LYS H H 1 7.883 0.01 . . . . . . . 231 LYS H . 51237 1 264 . 1 . 1 49 49 LYS C C 13 175.614 0.00 . . . . . . . 231 LYS C . 51237 1 265 . 1 . 1 49 49 LYS CA C 13 56.174 0.00 . . . . . . . 231 LYS CA . 51237 1 266 . 1 . 1 49 49 LYS CB C 13 28.827 0.00 . . . . . . . 231 LYS CB . 51237 1 267 . 1 . 1 49 49 LYS CG C 13 24.393 0.00 . . . . . . . 231 LYS CG . 51237 1 268 . 1 . 1 49 49 LYS CD C 13 28.488 0.00 . . . . . . . 231 LYS CD . 51237 1 269 . 1 . 1 49 49 LYS N N 15 113.211 0.03 . . . . . . . 231 LYS N . 51237 1 270 . 1 . 1 50 50 MET H H 1 8.324 0.00 . . . . . . . 232 MET H . 51237 1 271 . 1 . 1 50 50 MET C C 13 176.021 0.01 . . . . . . . 232 MET C . 51237 1 272 . 1 . 1 50 50 MET CA C 13 54.269 0.00 . . . . . . . 232 MET CA . 51237 1 273 . 1 . 1 50 50 MET CB C 13 39.018 0.02 . . . . . . . 232 MET CB . 51237 1 274 . 1 . 1 50 50 MET CG C 13 31.398 0.00 . . . . . . . 232 MET CG . 51237 1 275 . 1 . 1 50 50 MET N N 15 116.644 0.02 . . . . . . . 232 MET N . 51237 1 276 . 1 . 1 51 51 ASN H H 1 9.152 0.00 . . . . . . . 233 ASN H . 51237 1 277 . 1 . 1 51 51 ASN HD21 H 1 6.973 0.00 . . . . . . . 233 ASN HD21 . 51237 1 278 . 1 . 1 51 51 ASN HD22 H 1 7.759 0.00 . . . . . . . 233 ASN HD22 . 51237 1 279 . 1 . 1 51 51 ASN C C 13 176.714 0.01 . . . . . . . 233 ASN C . 51237 1 280 . 1 . 1 51 51 ASN CA C 13 53.003 0.04 . . . . . . . 233 ASN CA . 51237 1 281 . 1 . 1 51 51 ASN CB C 13 38.711 0.04 . . . . . . . 233 ASN CB . 51237 1 282 . 1 . 1 51 51 ASN N N 15 120.893 0.01 . . . . . . . 233 ASN N . 51237 1 283 . 1 . 1 51 51 ASN ND2 N 15 113.798 0.00 . . . . . . . 233 ASN ND2 . 51237 1 284 . 1 . 1 52 52 LEU H H 1 8.972 0.00 . . . . . . . 234 LEU H . 51237 1 285 . 1 . 1 52 52 LEU C C 13 177.736 0.01 . . . . . . . 234 LEU C . 51237 1 286 . 1 . 1 52 52 LEU CA C 13 58.899 0.07 . . . . . . . 234 LEU CA . 51237 1 287 . 1 . 1 52 52 LEU CB C 13 41.881 0.04 . . . . . . . 234 LEU CB . 51237 1 288 . 1 . 1 52 52 LEU CG C 13 26.969 0.00 . . . . . . . 234 LEU CG . 51237 1 289 . 1 . 1 52 52 LEU CD1 C 13 23.644 0.00 . . . . . . . 234 LEU CD1 . 51237 1 290 . 1 . 1 52 52 LEU CD2 C 13 25.938 0.00 . . . . . . . 234 LEU CD2 . 51237 1 291 . 1 . 1 52 52 LEU N N 15 125.180 0.01 . . . . . . . 234 LEU N . 51237 1 292 . 1 . 1 53 53 ASP H H 1 8.549 0.00 . . . . . . . 235 ASP H . 51237 1 293 . 1 . 1 53 53 ASP C C 13 178.724 0.02 . . . . . . . 235 ASP C . 51237 1 294 . 1 . 1 53 53 ASP CA C 13 57.604 0.00 . . . . . . . 235 ASP CA . 51237 1 295 . 1 . 1 53 53 ASP CB C 13 40.053 0.00 . . . . . . . 235 ASP CB . 51237 1 296 . 1 . 1 53 53 ASP N N 15 115.819 0.01 . . . . . . . 235 ASP N . 51237 1 297 . 1 . 1 54 54 ASP H H 1 7.496 0.00 . . . . . . . 236 ASP H . 51237 1 298 . 1 . 1 54 54 ASP C C 13 178.839 0.03 . . . . . . . 236 ASP C . 51237 1 299 . 1 . 1 54 54 ASP CA C 13 57.438 0.08 . . . . . . . 236 ASP CA . 51237 1 300 . 1 . 1 54 54 ASP CB C 13 40.560 0.04 . . . . . . . 236 ASP CB . 51237 1 301 . 1 . 1 54 54 ASP N N 15 119.153 0.01 . . . . . . . 236 ASP N . 51237 1 302 . 1 . 1 55 55 ILE H H 1 7.949 0.00 . . . . . . . 237 ILE H . 51237 1 303 . 1 . 1 55 55 ILE C C 13 177.546 0.02 . . . . . . . 237 ILE C . 51237 1 304 . 1 . 1 55 55 ILE CA C 13 66.230 0.11 . . . . . . . 237 ILE CA . 51237 1 305 . 1 . 1 55 55 ILE CB C 13 38.106 0.12 . . . . . . . 237 ILE CB . 51237 1 306 . 1 . 1 55 55 ILE CG2 C 13 18.816 0.00 . . . . . . . 237 ILE CG2 . 51237 1 307 . 1 . 1 55 55 ILE N N 15 121.445 0.04 . . . . . . . 237 ILE N . 51237 1 308 . 1 . 1 56 56 VAL H H 1 8.534 0.00 . . . . . . . 238 VAL H . 51237 1 309 . 1 . 1 56 56 VAL C C 13 176.625 0.00 . . . . . . . 238 VAL C . 51237 1 310 . 1 . 1 56 56 VAL CA C 13 67.165 0.10 . . . . . . . 238 VAL CA . 51237 1 311 . 1 . 1 56 56 VAL CB C 13 31.376 0.05 . . . . . . . 238 VAL CB . 51237 1 312 . 1 . 1 56 56 VAL CG1 C 13 20.987 0.00 . . . . . . . 238 VAL CG1 . 51237 1 313 . 1 . 1 56 56 VAL CG2 C 13 22.930 0.00 . . . . . . . 238 VAL CG2 . 51237 1 314 . 1 . 1 56 56 VAL N N 15 119.872 0.17 . . . . . . . 238 VAL N . 51237 1 315 . 1 . 1 57 57 LYS H H 1 7.519 0.00 . . . . . . . 239 LYS H . 51237 1 316 . 1 . 1 57 57 LYS C C 13 179.200 0.02 . . . . . . . 239 LYS C . 51237 1 317 . 1 . 1 57 57 LYS CA C 13 59.847 0.05 . . . . . . . 239 LYS CA . 51237 1 318 . 1 . 1 57 57 LYS CB C 13 32.480 0.03 . . . . . . . 239 LYS CB . 51237 1 319 . 1 . 1 57 57 LYS CG C 13 25.279 0.00 . . . . . . . 239 LYS CG . 51237 1 320 . 1 . 1 57 57 LYS CD C 13 29.249 0.00 . . . . . . . 239 LYS CD . 51237 1 321 . 1 . 1 57 57 LYS N N 15 116.160 0.02 . . . . . . . 239 LYS N . 51237 1 322 . 1 . 1 58 58 GLU H H 1 7.387 0.00 . . . . . . . 240 GLU H . 51237 1 323 . 1 . 1 58 58 GLU C C 13 179.051 0.02 . . . . . . . 240 GLU C . 51237 1 324 . 1 . 1 58 58 GLU CA C 13 57.957 0.05 . . . . . . . 240 GLU CA . 51237 1 325 . 1 . 1 58 58 GLU CB C 13 30.240 0.01 . . . . . . . 240 GLU CB . 51237 1 326 . 1 . 1 58 58 GLU CG C 13 37.026 0.00 . . . . . . . 240 GLU CG . 51237 1 327 . 1 . 1 58 58 GLU N N 15 117.216 0.02 . . . . . . . 240 GLU N . 51237 1 328 . 1 . 1 59 59 ALA H H 1 8.908 0.00 . . . . . . . 241 ALA H . 51237 1 329 . 1 . 1 59 59 ALA C C 13 178.298 0.00 . . . . . . . 241 ALA C . 51237 1 330 . 1 . 1 59 59 ALA CA C 13 54.553 0.02 . . . . . . . 241 ALA CA . 51237 1 331 . 1 . 1 59 59 ALA CB C 13 19.075 0.01 . . . . . . . 241 ALA CB . 51237 1 332 . 1 . 1 59 59 ALA N N 15 122.699 0.02 . . . . . . . 241 ALA N . 51237 1 333 . 1 . 1 60 60 LYS H H 1 7.355 0.00 . . . . . . . 242 LYS H . 51237 1 334 . 1 . 1 60 60 LYS C C 13 176.990 0.01 . . . . . . . 242 LYS C . 51237 1 335 . 1 . 1 60 60 LYS CA C 13 58.892 0.04 . . . . . . . 242 LYS CA . 51237 1 336 . 1 . 1 60 60 LYS CB C 13 32.255 0.05 . . . . . . . 242 LYS CB . 51237 1 337 . 1 . 1 60 60 LYS CG C 13 25.335 0.00 . . . . . . . 242 LYS CG . 51237 1 338 . 1 . 1 60 60 LYS CD C 13 30.169 0.00 . . . . . . . 242 LYS CD . 51237 1 339 . 1 . 1 60 60 LYS N N 15 111.761 0.02 . . . . . . . 242 LYS N . 51237 1 340 . 1 . 1 61 61 ASN H H 1 7.613 0.00 . . . . . . . 243 ASN H . 51237 1 341 . 1 . 1 61 61 ASN HD21 H 1 7.729 0.00 . . . . . . . 243 ASN HD21 . 51237 1 342 . 1 . 1 61 61 ASN HD22 H 1 7.045 0.00 . . . . . . . 243 ASN HD22 . 51237 1 343 . 1 . 1 61 61 ASN C C 13 174.935 0.02 . . . . . . . 243 ASN C . 51237 1 344 . 1 . 1 61 61 ASN CA C 13 53.344 0.01 . . . . . . . 243 ASN CA . 51237 1 345 . 1 . 1 61 61 ASN CB C 13 38.925 0.02 . . . . . . . 243 ASN CB . 51237 1 346 . 1 . 1 61 61 ASN N N 15 115.207 0.02 . . . . . . . 243 ASN N . 51237 1 347 . 1 . 1 61 61 ASN ND2 N 15 114.803 0.00 . . . . . . . 243 ASN ND2 . 51237 1 348 . 1 . 1 62 62 VAL H H 1 7.253 0.00 . . . . . . . 244 VAL H . 51237 1 349 . 1 . 1 62 62 VAL C C 13 174.359 0.00 . . . . . . . 244 VAL C . 51237 1 350 . 1 . 1 62 62 VAL CA C 13 60.564 0.00 . . . . . . . 244 VAL CA . 51237 1 351 . 1 . 1 62 62 VAL CB C 13 30.682 0.00 . . . . . . . 244 VAL CB . 51237 1 352 . 1 . 1 62 62 VAL N N 15 124.148 0.01 . . . . . . . 244 VAL N . 51237 1 353 . 1 . 1 63 63 PRO C C 13 176.093 0.02 . . . . . . . 245 PRO C . 51237 1 354 . 1 . 1 63 63 PRO CA C 13 64.672 0.03 . . . . . . . 245 PRO CA . 51237 1 355 . 1 . 1 63 63 PRO CB C 13 31.916 0.07 . . . . . . . 245 PRO CB . 51237 1 356 . 1 . 1 63 63 PRO CG C 13 27.461 0.00 . . . . . . . 245 PRO CG . 51237 1 357 . 1 . 1 64 64 GLY H H 1 8.169 0.00 . . . . . . . 246 GLY H . 51237 1 358 . 1 . 1 64 64 GLY C C 13 175.587 0.00 . . . . . . . 246 GLY C . 51237 1 359 . 1 . 1 64 64 GLY CA C 13 45.802 0.03 . . . . . . . 246 GLY CA . 51237 1 360 . 1 . 1 64 64 GLY N N 15 110.342 0.01 . . . . . . . 246 GLY N . 51237 1 361 . 1 . 1 65 65 VAL H H 1 7.522 0.00 . . . . . . . 247 VAL H . 51237 1 362 . 1 . 1 65 65 VAL C C 13 177.337 0.01 . . . . . . . 247 VAL C . 51237 1 363 . 1 . 1 65 65 VAL CA C 13 67.772 0.03 . . . . . . . 247 VAL CA . 51237 1 364 . 1 . 1 65 65 VAL CB C 13 30.651 0.01 . . . . . . . 247 VAL CB . 51237 1 365 . 1 . 1 65 65 VAL CG1 C 13 21.088 0.00 . . . . . . . 247 VAL CG1 . 51237 1 366 . 1 . 1 65 65 VAL N N 15 120.863 0.02 . . . . . . . 247 VAL N . 51237 1 367 . 1 . 1 66 66 THR H H 1 8.933 0.00 . . . . . . . 248 THR H . 51237 1 368 . 1 . 1 66 66 THR C C 13 176.288 0.02 . . . . . . . 248 THR C . 51237 1 369 . 1 . 1 66 66 THR CA C 13 66.451 0.04 . . . . . . . 248 THR CA . 51237 1 370 . 1 . 1 66 66 THR CB C 13 67.451 0.03 . . . . . . . 248 THR CB . 51237 1 371 . 1 . 1 66 66 THR CG2 C 13 23.045 0.00 . . . . . . . 248 THR CG2 . 51237 1 372 . 1 . 1 66 66 THR N N 15 112.701 0.01 . . . . . . . 248 THR N . 51237 1 373 . 1 . 1 67 67 ARG H H 1 7.568 0.00 . . . . . . . 249 ARG H . 51237 1 374 . 1 . 1 67 67 ARG C C 13 178.451 0.01 . . . . . . . 249 ARG C . 51237 1 375 . 1 . 1 67 67 ARG CA C 13 59.267 0.02 . . . . . . . 249 ARG CA . 51237 1 376 . 1 . 1 67 67 ARG CB C 13 29.630 0.15 . . . . . . . 249 ARG CB . 51237 1 377 . 1 . 1 67 67 ARG CG C 13 26.965 0.00 . . . . . . . 249 ARG CG . 51237 1 378 . 1 . 1 67 67 ARG CD C 13 43.044 0.00 . . . . . . . 249 ARG CD . 51237 1 379 . 1 . 1 67 67 ARG N N 15 122.609 0.01 . . . . . . . 249 ARG N . 51237 1 380 . 1 . 1 68 68 LEU H H 1 7.876 0.00 . . . . . . . 250 LEU H . 51237 1 381 . 1 . 1 68 68 LEU C C 13 179.091 0.01 . . . . . . . 250 LEU C . 51237 1 382 . 1 . 1 68 68 LEU CA C 13 57.822 0.07 . . . . . . . 250 LEU CA . 51237 1 383 . 1 . 1 68 68 LEU CB C 13 42.936 0.15 . . . . . . . 250 LEU CB . 51237 1 384 . 1 . 1 68 68 LEU CD1 C 13 25.934 0.00 . . . . . . . 250 LEU CD1 . 51237 1 385 . 1 . 1 68 68 LEU CD2 C 13 22.860 0.00 . . . . . . . 250 LEU CD2 . 51237 1 386 . 1 . 1 68 68 LEU N N 15 119.051 0.02 . . . . . . . 250 LEU N . 51237 1 387 . 1 . 1 69 69 ALA H H 1 8.543 0.00 . . . . . . . 251 ALA H . 51237 1 388 . 1 . 1 69 69 ALA C C 13 180.435 0.03 . . . . . . . 251 ALA C . 51237 1 389 . 1 . 1 69 69 ALA CA C 13 54.907 0.11 . . . . . . . 251 ALA CA . 51237 1 390 . 1 . 1 69 69 ALA CB C 13 19.241 0.03 . . . . . . . 251 ALA CB . 51237 1 391 . 1 . 1 69 69 ALA N N 15 119.414 0.05 . . . . . . . 251 ALA N . 51237 1 392 . 1 . 1 70 70 HIS H H 1 8.369 0.00 . . . . . . . 252 HIS H . 51237 1 393 . 1 . 1 70 70 HIS C C 13 175.988 0.03 . . . . . . . 252 HIS C . 51237 1 394 . 1 . 1 70 70 HIS CA C 13 59.380 0.02 . . . . . . . 252 HIS CA . 51237 1 395 . 1 . 1 70 70 HIS CB C 13 28.907 0.01 . . . . . . . 252 HIS CB . 51237 1 396 . 1 . 1 70 70 HIS N N 15 118.900 0.02 . . . . . . . 252 HIS N . 51237 1 397 . 1 . 1 71 71 ASP H H 1 7.662 0.00 . . . . . . . 253 ASP H . 51237 1 398 . 1 . 1 71 71 ASP C C 13 176.657 0.00 . . . . . . . 253 ASP C . 51237 1 399 . 1 . 1 71 71 ASP CA C 13 54.585 0.03 . . . . . . . 253 ASP CA . 51237 1 400 . 1 . 1 71 71 ASP CB C 13 41.122 0.01 . . . . . . . 253 ASP CB . 51237 1 401 . 1 . 1 71 71 ASP N N 15 116.435 0.02 . . . . . . . 253 ASP N . 51237 1 402 . 1 . 1 72 72 GLY H H 1 7.893 0.00 . . . . . . . 254 GLY H . 51237 1 403 . 1 . 1 72 72 GLY C C 13 174.724 0.01 . . . . . . . 254 GLY C . 51237 1 404 . 1 . 1 72 72 GLY CA C 13 45.837 0.02 . . . . . . . 254 GLY CA . 51237 1 405 . 1 . 1 72 72 GLY N N 15 109.067 0.02 . . . . . . . 254 GLY N . 51237 1 406 . 1 . 1 73 73 SER H H 1 8.067 0.00 . . . . . . . 255 SER H . 51237 1 407 . 1 . 1 73 73 SER C C 13 172.930 0.02 . . . . . . . 255 SER C . 51237 1 408 . 1 . 1 73 73 SER CA C 13 58.659 0.13 . . . . . . . 255 SER CA . 51237 1 409 . 1 . 1 73 73 SER CB C 13 64.434 0.06 . . . . . . . 255 SER CB . 51237 1 410 . 1 . 1 73 73 SER N N 15 117.270 0.01 . . . . . . . 255 SER N . 51237 1 411 . 1 . 1 74 74 LYS H H 1 8.304 0.00 . . . . . . . 256 LYS H . 51237 1 412 . 1 . 1 74 74 LYS C C 13 177.272 0.00 . . . . . . . 256 LYS C . 51237 1 413 . 1 . 1 74 74 LYS CA C 13 56.877 0.01 . . . . . . . 256 LYS CA . 51237 1 414 . 1 . 1 74 74 LYS CB C 13 32.502 0.06 . . . . . . . 256 LYS CB . 51237 1 415 . 1 . 1 74 74 LYS CG C 13 24.941 0.00 . . . . . . . 256 LYS CG . 51237 1 416 . 1 . 1 74 74 LYS N N 15 121.420 0.03 . . . . . . . 256 LYS N . 51237 1 417 . 1 . 1 75 75 LEU H H 1 9.134 0.00 . . . . . . . 257 LEU H . 51237 1 418 . 1 . 1 75 75 LEU C C 13 175.936 0.00 . . . . . . . 257 LEU C . 51237 1 419 . 1 . 1 75 75 LEU CA C 13 52.564 0.00 . . . . . . . 257 LEU CA . 51237 1 420 . 1 . 1 75 75 LEU CB C 13 42.529 0.00 . . . . . . . 257 LEU CB . 51237 1 421 . 1 . 1 75 75 LEU N N 15 123.094 0.02 . . . . . . . 257 LEU N . 51237 1 422 . 1 . 1 76 76 PRO C C 13 175.724 0.01 . . . . . . . 258 PRO C . 51237 1 423 . 1 . 1 76 76 PRO CA C 13 61.216 0.02 . . . . . . . 258 PRO CA . 51237 1 424 . 1 . 1 76 76 PRO CB C 13 27.834 0.00 . . . . . . . 258 PRO CB . 51237 1 425 . 1 . 1 76 76 PRO CG C 13 27.580 0.00 . . . . . . . 258 PRO CG . 51237 1 426 . 1 . 1 77 77 LEU H H 1 7.675 0.00 . . . . . . . 259 LEU H . 51237 1 427 . 1 . 1 77 77 LEU C C 13 177.115 0.01 . . . . . . . 259 LEU C . 51237 1 428 . 1 . 1 77 77 LEU CA C 13 59.055 0.07 . . . . . . . 259 LEU CA . 51237 1 429 . 1 . 1 77 77 LEU CB C 13 41.739 0.02 . . . . . . . 259 LEU CB . 51237 1 430 . 1 . 1 77 77 LEU CD1 C 13 26.943 0.00 . . . . . . . 259 LEU CD1 . 51237 1 431 . 1 . 1 77 77 LEU N N 15 125.500 0.04 . . . . . . . 259 LEU N . 51237 1 432 . 1 . 1 78 78 ARG H H 1 8.237 0.00 . . . . . . . 260 ARG H . 51237 1 433 . 1 . 1 78 78 ARG C C 13 178.203 0.00 . . . . . . . 260 ARG C . 51237 1 434 . 1 . 1 78 78 ARG CA C 13 60.529 0.03 . . . . . . . 260 ARG CA . 51237 1 435 . 1 . 1 78 78 ARG CB C 13 28.274 0.00 . . . . . . . 260 ARG CB . 51237 1 436 . 1 . 1 78 78 ARG CG C 13 27.375 0.00 . . . . . . . 260 ARG CG . 51237 1 437 . 1 . 1 78 78 ARG N N 15 120.352 0.03 . . . . . . . 260 ARG N . 51237 1 438 . 1 . 1 79 79 CYS H H 1 7.859 0.00 . . . . . . . 261 CYS H . 51237 1 439 . 1 . 1 79 79 CYS C C 13 175.655 0.02 . . . . . . . 261 CYS C . 51237 1 440 . 1 . 1 79 79 CYS CA C 13 62.278 0.00 . . . . . . . 261 CYS CA . 51237 1 441 . 1 . 1 79 79 CYS CB C 13 25.850 0.03 . . . . . . . 261 CYS CB . 51237 1 442 . 1 . 1 79 79 CYS N N 15 117.931 0.03 . . . . . . . 261 CYS N . 51237 1 443 . 1 . 1 80 80 VAL H H 1 8.176 0.00 . . . . . . . 262 VAL H . 51237 1 444 . 1 . 1 80 80 VAL C C 13 176.444 0.01 . . . . . . . 262 VAL C . 51237 1 445 . 1 . 1 80 80 VAL CA C 13 67.186 0.05 . . . . . . . 262 VAL CA . 51237 1 446 . 1 . 1 80 80 VAL CB C 13 31.924 0.03 . . . . . . . 262 VAL CB . 51237 1 447 . 1 . 1 80 80 VAL CG1 C 13 23.066 0.00 . . . . . . . 262 VAL CG1 . 51237 1 448 . 1 . 1 80 80 VAL CG2 C 13 22.075 0.00 . . . . . . . 262 VAL CG2 . 51237 1 449 . 1 . 1 80 80 VAL N N 15 117.976 0.04 . . . . . . . 262 VAL N . 51237 1 450 . 1 . 1 81 81 LEU H H 1 8.733 0.00 . . . . . . . 263 LEU H . 51237 1 451 . 1 . 1 81 81 LEU C C 13 177.378 0.00 . . . . . . . 263 LEU C . 51237 1 452 . 1 . 1 81 81 LEU CA C 13 58.013 0.01 . . . . . . . 263 LEU CA . 51237 1 453 . 1 . 1 81 81 LEU CB C 13 39.715 0.01 . . . . . . . 263 LEU CB . 51237 1 454 . 1 . 1 81 81 LEU N N 15 119.066 0.01 . . . . . . . 263 LEU N . 51237 1 455 . 1 . 1 82 82 GLY H H 1 8.487 0.00 . . . . . . . 264 GLY H . 51237 1 456 . 1 . 1 82 82 GLY C C 13 173.430 0.00 . . . . . . . 264 GLY C . 51237 1 457 . 1 . 1 82 82 GLY CA C 13 47.946 0.05 . . . . . . . 264 GLY CA . 51237 1 458 . 1 . 1 82 82 GLY N N 15 104.889 0.01 . . . . . . . 264 GLY N . 51237 1 459 . 1 . 1 83 83 TRP H H 1 8.690 0.00 . . . . . . . 265 TRP H . 51237 1 460 . 1 . 1 83 83 TRP HE1 H 1 10.526 0.00 . . . . . . . 265 TRP HE1 . 51237 1 461 . 1 . 1 83 83 TRP C C 13 179.559 0.00 . . . . . . . 265 TRP C . 51237 1 462 . 1 . 1 83 83 TRP CA C 13 61.084 0.00 . . . . . . . 265 TRP CA . 51237 1 463 . 1 . 1 83 83 TRP CB C 13 29.136 0.04 . . . . . . . 265 TRP CB . 51237 1 464 . 1 . 1 83 83 TRP N N 15 122.021 0.01 . . . . . . . 265 TRP N . 51237 1 465 . 1 . 1 83 83 TRP NE1 N 15 131.158 0.00 . . . . . . . 265 TRP NE1 . 51237 1 466 . 1 . 1 84 84 VAL H H 1 8.733 0.00 . . . . . . . 266 VAL H . 51237 1 467 . 1 . 1 84 84 VAL C C 13 178.956 0.02 . . . . . . . 266 VAL C . 51237 1 468 . 1 . 1 84 84 VAL CA C 13 66.648 0.00 . . . . . . . 266 VAL CA . 51237 1 469 . 1 . 1 84 84 VAL CB C 13 32.415 0.01 . . . . . . . 266 VAL CB . 51237 1 470 . 1 . 1 84 84 VAL CG1 C 13 22.571 0.00 . . . . . . . 266 VAL CG1 . 51237 1 471 . 1 . 1 84 84 VAL CG2 C 13 23.441 0.00 . . . . . . . 266 VAL CG2 . 51237 1 472 . 1 . 1 84 84 VAL N N 15 117.884 0.02 . . . . . . . 266 VAL N . 51237 1 473 . 1 . 1 85 85 ALA H H 1 9.240 0.00 . . . . . . . 267 ALA H . 51237 1 474 . 1 . 1 85 85 ALA C C 13 179.203 0.02 . . . . . . . 267 ALA C . 51237 1 475 . 1 . 1 85 85 ALA CA C 13 55.188 0.05 . . . . . . . 267 ALA CA . 51237 1 476 . 1 . 1 85 85 ALA CB C 13 16.728 0.02 . . . . . . . 267 ALA CB . 51237 1 477 . 1 . 1 85 85 ALA N N 15 124.267 0.02 . . . . . . . 267 ALA N . 51237 1 478 . 1 . 1 86 86 LEU H H 1 8.110 0.00 . . . . . . . 268 LEU H . 51237 1 479 . 1 . 1 86 86 LEU C C 13 178.397 0.01 . . . . . . . 268 LEU C . 51237 1 480 . 1 . 1 86 86 LEU CA C 13 57.833 0.03 . . . . . . . 268 LEU CA . 51237 1 481 . 1 . 1 86 86 LEU CB C 13 41.908 0.01 . . . . . . . 268 LEU CB . 51237 1 482 . 1 . 1 86 86 LEU CG C 13 26.507 0.00 . . . . . . . 268 LEU CG . 51237 1 483 . 1 . 1 86 86 LEU CD1 C 13 24.106 0.00 . . . . . . . 268 LEU CD1 . 51237 1 484 . 1 . 1 86 86 LEU CD2 C 13 24.749 0.00 . . . . . . . 268 LEU CD2 . 51237 1 485 . 1 . 1 86 86 LEU N N 15 118.908 0.04 . . . . . . . 268 LEU N . 51237 1 486 . 1 . 1 87 87 ALA H H 1 6.923 0.00 . . . . . . . 269 ALA H . 51237 1 487 . 1 . 1 87 87 ALA C C 13 179.232 0.00 . . . . . . . 269 ALA C . 51237 1 488 . 1 . 1 87 87 ALA CA C 13 53.405 0.01 . . . . . . . 269 ALA CA . 51237 1 489 . 1 . 1 87 87 ALA CB C 13 19.580 0.01 . . . . . . . 269 ALA CB . 51237 1 490 . 1 . 1 87 87 ALA N N 15 115.831 0.01 . . . . . . . 269 ALA N . 51237 1 491 . 1 . 1 88 88 ASN H H 1 7.450 0.00 . . . . . . . 270 ASN H . 51237 1 492 . 1 . 1 88 88 ASN HD21 H 1 7.796 0.00 . . . . . . . 270 ASN HD21 . 51237 1 493 . 1 . 1 88 88 ASN HD22 H 1 8.140 0.00 . . . . . . . 270 ASN HD22 . 51237 1 494 . 1 . 1 88 88 ASN C C 13 174.610 0.02 . . . . . . . 270 ASN C . 51237 1 495 . 1 . 1 88 88 ASN CA C 13 55.502 0.00 . . . . . . . 270 ASN CA . 51237 1 496 . 1 . 1 88 88 ASN CB C 13 44.324 0.01 . . . . . . . 270 ASN CB . 51237 1 497 . 1 . 1 88 88 ASN N N 15 112.270 0.03 . . . . . . . 270 ASN N . 51237 1 498 . 1 . 1 88 88 ASN ND2 N 15 117.838 0.01 . . . . . . . 270 ASN ND2 . 51237 1 499 . 1 . 1 89 89 SER H H 1 8.923 0.00 . . . . . . . 271 SER H . 51237 1 500 . 1 . 1 89 89 SER C C 13 174.467 0.00 . . . . . . . 271 SER C . 51237 1 501 . 1 . 1 89 89 SER CA C 13 55.965 0.00 . . . . . . . 271 SER CA . 51237 1 502 . 1 . 1 89 89 SER CB C 13 62.695 0.00 . . . . . . . 271 SER CB . 51237 1 503 . 1 . 1 89 89 SER N N 15 115.028 0.01 . . . . . . . 271 SER N . 51237 1 504 . 1 . 1 90 90 LYS H H 1 8.974 0.00 . . . . . . . 272 LYS H . 51237 1 505 . 1 . 1 90 90 LYS C C 13 178.602 0.00 . . . . . . . 272 LYS C . 51237 1 506 . 1 . 1 90 90 LYS CA C 13 59.095 0.00 . . . . . . . 272 LYS CA . 51237 1 507 . 1 . 1 90 90 LYS CB C 13 31.855 0.03 . . . . . . . 272 LYS CB . 51237 1 508 . 1 . 1 90 90 LYS CG C 13 24.962 0.00 . . . . . . . 272 LYS CG . 51237 1 509 . 1 . 1 90 90 LYS CD C 13 28.709 0.00 . . . . . . . 272 LYS CD . 51237 1 510 . 1 . 1 90 90 LYS N N 15 132.046 0.00 . . . . . . . 272 LYS N . 51237 1 511 . 1 . 1 91 91 LYS H H 1 8.241 0.00 . . . . . . . 273 LYS H . 51237 1 512 . 1 . 1 91 91 LYS C C 13 178.126 0.03 . . . . . . . 273 LYS C . 51237 1 513 . 1 . 1 91 91 LYS CA C 13 59.428 0.03 . . . . . . . 273 LYS CA . 51237 1 514 . 1 . 1 91 91 LYS CB C 13 32.379 0.12 . . . . . . . 273 LYS CB . 51237 1 515 . 1 . 1 91 91 LYS CG C 13 25.223 0.00 . . . . . . . 273 LYS CG . 51237 1 516 . 1 . 1 91 91 LYS CD C 13 29.342 0.00 . . . . . . . 273 LYS CD . 51237 1 517 . 1 . 1 91 91 LYS N N 15 118.013 0.02 . . . . . . . 273 LYS N . 51237 1 518 . 1 . 1 92 92 PHE H H 1 7.768 0.00 . . . . . . . 274 PHE H . 51237 1 519 . 1 . 1 92 92 PHE C C 13 176.726 0.00 . . . . . . . 274 PHE C . 51237 1 520 . 1 . 1 92 92 PHE CA C 13 61.556 0.03 . . . . . . . 274 PHE CA . 51237 1 521 . 1 . 1 92 92 PHE CB C 13 39.568 0.02 . . . . . . . 274 PHE CB . 51237 1 522 . 1 . 1 92 92 PHE N N 15 119.371 0.02 . . . . . . . 274 PHE N . 51237 1 523 . 1 . 1 93 93 GLN H H 1 8.130 0.00 . . . . . . . 275 GLN H . 51237 1 524 . 1 . 1 93 93 GLN HE21 H 1 6.933 0.00 . . . . . . . 275 GLN HE21 . 51237 1 525 . 1 . 1 93 93 GLN HE22 H 1 6.618 0.00 . . . . . . . 275 GLN HE22 . 51237 1 526 . 1 . 1 93 93 GLN C C 13 178.020 0.01 . . . . . . . 275 GLN C . 51237 1 527 . 1 . 1 93 93 GLN CA C 13 59.025 0.03 . . . . . . . 275 GLN CA . 51237 1 528 . 1 . 1 93 93 GLN CB C 13 28.123 0.03 . . . . . . . 275 GLN CB . 51237 1 529 . 1 . 1 93 93 GLN CG C 13 33.978 0.00 . . . . . . . 275 GLN CG . 51237 1 530 . 1 . 1 93 93 GLN N N 15 115.219 0.02 . . . . . . . 275 GLN N . 51237 1 531 . 1 . 1 93 93 GLN NE2 N 15 108.611 0.00 . . . . . . . 275 GLN NE2 . 51237 1 532 . 1 . 1 94 94 LEU H H 1 7.528 0.00 . . . . . . . 276 LEU H . 51237 1 533 . 1 . 1 94 94 LEU C C 13 178.357 0.00 . . . . . . . 276 LEU C . 51237 1 534 . 1 . 1 94 94 LEU CA C 13 56.712 0.01 . . . . . . . 276 LEU CA . 51237 1 535 . 1 . 1 94 94 LEU CB C 13 42.440 0.01 . . . . . . . 276 LEU CB . 51237 1 536 . 1 . 1 94 94 LEU CG C 13 26.834 0.00 . . . . . . . 276 LEU CG . 51237 1 537 . 1 . 1 94 94 LEU CD1 C 13 24.849 0.00 . . . . . . . 276 LEU CD1 . 51237 1 538 . 1 . 1 94 94 LEU CD2 C 13 23.421 0.00 . . . . . . . 276 LEU CD2 . 51237 1 539 . 1 . 1 94 94 LEU N N 15 116.444 0.01 . . . . . . . 276 LEU N . 51237 1 540 . 1 . 1 95 95 LEU H H 1 7.192 0.00 . . . . . . . 277 LEU H . 51237 1 541 . 1 . 1 95 95 LEU C C 13 177.921 0.00 . . . . . . . 277 LEU C . 51237 1 542 . 1 . 1 95 95 LEU CA C 13 55.999 0.03 . . . . . . . 277 LEU CA . 51237 1 543 . 1 . 1 95 95 LEU CB C 13 42.984 0.06 . . . . . . . 277 LEU CB . 51237 1 544 . 1 . 1 95 95 LEU CG C 13 26.086 0.00 . . . . . . . 277 LEU CG . 51237 1 545 . 1 . 1 95 95 LEU CD1 C 13 25.436 0.00 . . . . . . . 277 LEU CD1 . 51237 1 546 . 1 . 1 95 95 LEU CD2 C 13 22.329 0.00 . . . . . . . 277 LEU CD2 . 51237 1 547 . 1 . 1 95 95 LEU N N 15 118.671 0.01 . . . . . . . 277 LEU N . 51237 1 548 . 1 . 1 96 96 VAL H H 1 7.407 0.00 . . . . . . . 278 VAL H . 51237 1 549 . 1 . 1 96 96 VAL C C 13 172.673 0.02 . . . . . . . 278 VAL C . 51237 1 550 . 1 . 1 96 96 VAL CA C 13 60.965 0.04 . . . . . . . 278 VAL CA . 51237 1 551 . 1 . 1 96 96 VAL CB C 13 32.944 0.02 . . . . . . . 278 VAL CB . 51237 1 552 . 1 . 1 96 96 VAL CG1 C 13 23.621 0.00 . . . . . . . 278 VAL CG1 . 51237 1 553 . 1 . 1 96 96 VAL CG2 C 13 20.589 0.00 . . . . . . . 278 VAL CG2 . 51237 1 554 . 1 . 1 96 96 VAL N N 15 119.260 0.02 . . . . . . . 278 VAL N . 51237 1 555 . 1 . 1 97 97 GLU H H 1 7.573 0.00 . . . . . . . 279 GLU H . 51237 1 556 . 1 . 1 97 97 GLU C C 13 176.510 0.01 . . . . . . . 279 GLU C . 51237 1 557 . 1 . 1 97 97 GLU CA C 13 55.784 0.04 . . . . . . . 279 GLU CA . 51237 1 558 . 1 . 1 97 97 GLU CB C 13 29.122 0.04 . . . . . . . 279 GLU CB . 51237 1 559 . 1 . 1 97 97 GLU CG C 13 38.541 0.00 . . . . . . . 279 GLU CG . 51237 1 560 . 1 . 1 97 97 GLU N N 15 128.865 0.03 . . . . . . . 279 GLU N . 51237 1 561 . 1 . 1 98 98 ALA H H 1 8.709 0.00 . . . . . . . 280 ALA H . 51237 1 562 . 1 . 1 98 98 ALA C C 13 179.432 0.00 . . . . . . . 280 ALA C . 51237 1 563 . 1 . 1 98 98 ALA CA C 13 56.046 0.02 . . . . . . . 280 ALA CA . 51237 1 564 . 1 . 1 98 98 ALA CB C 13 18.632 0.02 . . . . . . . 280 ALA CB . 51237 1 565 . 1 . 1 98 98 ALA N N 15 127.964 0.03 . . . . . . . 280 ALA N . 51237 1 566 . 1 . 1 99 99 ASN H H 1 8.787 0.00 . . . . . . . 281 ASN H . 51237 1 567 . 1 . 1 99 99 ASN HD21 H 1 7.996 0.00 . . . . . . . 281 ASN HD21 . 51237 1 568 . 1 . 1 99 99 ASN HD22 H 1 7.045 0.00 . . . . . . . 281 ASN HD22 . 51237 1 569 . 1 . 1 99 99 ASN C C 13 178.841 0.03 . . . . . . . 281 ASN C . 51237 1 570 . 1 . 1 99 99 ASN CA C 13 56.656 0.03 . . . . . . . 281 ASN CA . 51237 1 571 . 1 . 1 99 99 ASN CB C 13 38.113 0.05 . . . . . . . 281 ASN CB . 51237 1 572 . 1 . 1 99 99 ASN N N 15 118.279 0.03 . . . . . . . 281 ASN N . 51237 1 573 . 1 . 1 99 99 ASN ND2 N 15 114.782 0.02 . . . . . . . 281 ASN ND2 . 51237 1 574 . 1 . 1 100 100 LYS H H 1 8.525 0.00 . . . . . . . 282 LYS H . 51237 1 575 . 1 . 1 100 100 LYS C C 13 179.757 0.01 . . . . . . . 282 LYS C . 51237 1 576 . 1 . 1 100 100 LYS CA C 13 59.303 0.00 . . . . . . . 282 LYS CA . 51237 1 577 . 1 . 1 100 100 LYS CB C 13 33.000 0.04 . . . . . . . 282 LYS CB . 51237 1 578 . 1 . 1 100 100 LYS CG C 13 26.252 0.00 . . . . . . . 282 LYS CG . 51237 1 579 . 1 . 1 100 100 LYS CD C 13 29.544 0.00 . . . . . . . 282 LYS CD . 51237 1 580 . 1 . 1 100 100 LYS N N 15 121.636 0.03 . . . . . . . 282 LYS N . 51237 1 581 . 1 . 1 101 101 LEU H H 1 8.604 0.00 . . . . . . . 283 LEU H . 51237 1 582 . 1 . 1 101 101 LEU C C 13 177.511 0.01 . . . . . . . 283 LEU C . 51237 1 583 . 1 . 1 101 101 LEU CA C 13 57.907 0.04 . . . . . . . 283 LEU CA . 51237 1 584 . 1 . 1 101 101 LEU CB C 13 41.530 0.03 . . . . . . . 283 LEU CB . 51237 1 585 . 1 . 1 101 101 LEU CG C 13 27.557 0.00 . . . . . . . 283 LEU CG . 51237 1 586 . 1 . 1 101 101 LEU CD1 C 13 23.990 0.00 . . . . . . . 283 LEU CD1 . 51237 1 587 . 1 . 1 101 101 LEU N N 15 119.773 0.03 . . . . . . . 283 LEU N . 51237 1 588 . 1 . 1 102 102 ASN H H 1 8.315 0.00 . . . . . . . 284 ASN H . 51237 1 589 . 1 . 1 102 102 ASN HD21 H 1 7.562 0.00 . . . . . . . 284 ASN HD21 . 51237 1 590 . 1 . 1 102 102 ASN HD22 H 1 6.757 0.00 . . . . . . . 284 ASN HD22 . 51237 1 591 . 1 . 1 102 102 ASN C C 13 177.399 0.01 . . . . . . . 284 ASN C . 51237 1 592 . 1 . 1 102 102 ASN CA C 13 57.371 0.03 . . . . . . . 284 ASN CA . 51237 1 593 . 1 . 1 102 102 ASN CB C 13 38.487 0.03 . . . . . . . 284 ASN CB . 51237 1 594 . 1 . 1 102 102 ASN N N 15 118.069 0.03 . . . . . . . 284 ASN N . 51237 1 595 . 1 . 1 102 102 ASN ND2 N 15 111.726 0.00 . . . . . . . 284 ASN ND2 . 51237 1 596 . 1 . 1 103 103 LYS H H 1 7.311 0.00 . . . . . . . 285 LYS H . 51237 1 597 . 1 . 1 103 103 LYS C C 13 178.303 0.01 . . . . . . . 285 LYS C . 51237 1 598 . 1 . 1 103 103 LYS CA C 13 59.474 0.01 . . . . . . . 285 LYS CA . 51237 1 599 . 1 . 1 103 103 LYS CB C 13 32.325 0.01 . . . . . . . 285 LYS CB . 51237 1 600 . 1 . 1 103 103 LYS CG C 13 25.019 0.00 . . . . . . . 285 LYS CG . 51237 1 601 . 1 . 1 103 103 LYS CD C 13 28.833 0.00 . . . . . . . 285 LYS CD . 51237 1 602 . 1 . 1 103 103 LYS N N 15 119.330 0.01 . . . . . . . 285 LYS N . 51237 1 603 . 1 . 1 104 104 ILE H H 1 7.900 0.00 . . . . . . . 286 ILE H . 51237 1 604 . 1 . 1 104 104 ILE C C 13 178.266 0.01 . . . . . . . 286 ILE C . 51237 1 605 . 1 . 1 104 104 ILE CA C 13 64.954 0.00 . . . . . . . 286 ILE CA . 51237 1 606 . 1 . 1 104 104 ILE CB C 13 38.740 0.02 . . . . . . . 286 ILE CB . 51237 1 607 . 1 . 1 104 104 ILE CG2 C 13 16.391 0.00 . . . . . . . 286 ILE CG2 . 51237 1 608 . 1 . 1 104 104 ILE N N 15 119.749 0.04 . . . . . . . 286 ILE N . 51237 1 609 . 1 . 1 105 105 MET H H 1 8.795 0.00 . . . . . . . 287 MET H . 51237 1 610 . 1 . 1 105 105 MET C C 13 177.895 0.00 . . . . . . . 287 MET C . 51237 1 611 . 1 . 1 105 105 MET CA C 13 60.539 0.00 . . . . . . . 287 MET CA . 51237 1 612 . 1 . 1 105 105 MET CB C 13 33.230 0.01 . . . . . . . 287 MET CB . 51237 1 613 . 1 . 1 105 105 MET CG C 13 31.844 0.00 . . . . . . . 287 MET CG . 51237 1 614 . 1 . 1 105 105 MET N N 15 117.950 0.01 . . . . . . . 287 MET N . 51237 1 615 . 1 . 1 106 106 GLN H H 1 8.028 0.00 . . . . . . . 288 GLN H . 51237 1 616 . 1 . 1 106 106 GLN HE21 H 1 7.505 0.00 . . . . . . . 288 GLN HE21 . 51237 1 617 . 1 . 1 106 106 GLN HE22 H 1 6.906 0.00 . . . . . . . 288 GLN HE22 . 51237 1 618 . 1 . 1 106 106 GLN C C 13 178.592 0.02 . . . . . . . 288 GLN C . 51237 1 619 . 1 . 1 106 106 GLN CA C 13 58.957 0.08 . . . . . . . 288 GLN CA . 51237 1 620 . 1 . 1 106 106 GLN CB C 13 28.566 0.01 . . . . . . . 288 GLN CB . 51237 1 621 . 1 . 1 106 106 GLN CG C 13 34.078 0.00 . . . . . . . 288 GLN CG . 51237 1 622 . 1 . 1 106 106 GLN N N 15 117.290 0.02 . . . . . . . 288 GLN N . 51237 1 623 . 1 . 1 106 106 GLN NE2 N 15 112.483 0.00 . . . . . . . 288 GLN NE2 . 51237 1 624 . 1 . 1 107 107 ASP H H 1 8.333 0.00 . . . . . . . 289 ASP H . 51237 1 625 . 1 . 1 107 107 ASP C C 13 179.194 0.02 . . . . . . . 289 ASP C . 51237 1 626 . 1 . 1 107 107 ASP CA C 13 57.585 0.00 . . . . . . . 289 ASP CA . 51237 1 627 . 1 . 1 107 107 ASP CB C 13 40.356 0.02 . . . . . . . 289 ASP CB . 51237 1 628 . 1 . 1 107 107 ASP N N 15 120.150 0.02 . . . . . . . 289 ASP N . 51237 1 629 . 1 . 1 108 108 ASP H H 1 8.696 0.00 . . . . . . . 290 ASP H . 51237 1 630 . 1 . 1 108 108 ASP C C 13 178.946 0.00 . . . . . . . 290 ASP C . 51237 1 631 . 1 . 1 108 108 ASP CA C 13 57.590 0.02 . . . . . . . 290 ASP CA . 51237 1 632 . 1 . 1 108 108 ASP CB C 13 40.854 0.06 . . . . . . . 290 ASP CB . 51237 1 633 . 1 . 1 108 108 ASP N N 15 121.259 0.02 . . . . . . . 290 ASP N . 51237 1 634 . 1 . 1 109 109 LEU H H 1 8.438 0.00 . . . . . . . 291 LEU H . 51237 1 635 . 1 . 1 109 109 LEU C C 13 179.867 0.03 . . . . . . . 291 LEU C . 51237 1 636 . 1 . 1 109 109 LEU CA C 13 57.872 0.03 . . . . . . . 291 LEU CA . 51237 1 637 . 1 . 1 109 109 LEU CB C 13 41.013 0.06 . . . . . . . 291 LEU CB . 51237 1 638 . 1 . 1 109 109 LEU N N 15 118.906 0.03 . . . . . . . 291 LEU N . 51237 1 639 . 1 . 1 110 110 ASN H H 1 8.190 0.00 . . . . . . . 292 ASN H . 51237 1 640 . 1 . 1 110 110 ASN HD21 H 1 7.808 0.00 . . . . . . . 292 ASN HD21 . 51237 1 641 . 1 . 1 110 110 ASN HD22 H 1 6.959 0.00 . . . . . . . 292 ASN HD22 . 51237 1 642 . 1 . 1 110 110 ASN C C 13 177.408 0.04 . . . . . . . 292 ASN C . 51237 1 643 . 1 . 1 110 110 ASN CA C 13 55.690 0.06 . . . . . . . 292 ASN CA . 51237 1 644 . 1 . 1 110 110 ASN CB C 13 38.454 0.03 . . . . . . . 292 ASN CB . 51237 1 645 . 1 . 1 110 110 ASN N N 15 117.875 0.04 . . . . . . . 292 ASN N . 51237 1 646 . 1 . 1 110 110 ASN ND2 N 15 112.448 0.00 . . . . . . . 292 ASN ND2 . 51237 1 647 . 1 . 1 111 111 ARG H H 1 7.994 0.00 . . . . . . . 293 ARG H . 51237 1 648 . 1 . 1 111 111 ARG C C 13 177.719 0.05 . . . . . . . 293 ARG C . 51237 1 649 . 1 . 1 111 111 ARG CA C 13 58.518 0.04 . . . . . . . 293 ARG CA . 51237 1 650 . 1 . 1 111 111 ARG CB C 13 30.145 0.06 . . . . . . . 293 ARG CB . 51237 1 651 . 1 . 1 111 111 ARG CG C 13 27.548 0.00 . . . . . . . 293 ARG CG . 51237 1 652 . 1 . 1 111 111 ARG CD C 13 43.477 0.00 . . . . . . . 293 ARG CD . 51237 1 653 . 1 . 1 111 111 ARG N N 15 119.643 0.02 . . . . . . . 293 ARG N . 51237 1 654 . 1 . 1 112 112 TYR H H 1 8.073 0.00 . . . . . . . 294 TYR H . 51237 1 655 . 1 . 1 112 112 TYR C C 13 175.939 0.00 . . . . . . . 294 TYR C . 51237 1 656 . 1 . 1 112 112 TYR CA C 13 59.303 0.06 . . . . . . . 294 TYR CA . 51237 1 657 . 1 . 1 112 112 TYR CB C 13 38.503 0.02 . . . . . . . 294 TYR CB . 51237 1 658 . 1 . 1 112 112 TYR N N 15 117.567 0.03 . . . . . . . 294 TYR N . 51237 1 659 . 1 . 1 113 113 ALA H H 1 7.836 0.00 . . . . . . . 295 ALA H . 51237 1 660 . 1 . 1 113 113 ALA C C 13 177.452 0.01 . . . . . . . 295 ALA C . 51237 1 661 . 1 . 1 113 113 ALA CA C 13 52.906 0.01 . . . . . . . 295 ALA CA . 51237 1 662 . 1 . 1 113 113 ALA CB C 13 19.330 0.03 . . . . . . . 295 ALA CB . 51237 1 663 . 1 . 1 113 113 ALA N N 15 122.671 0.01 . . . . . . . 295 ALA N . 51237 1 664 . 1 . 1 114 114 SER H H 1 8.010 0.00 . . . . . . . 296 SER H . 51237 1 665 . 1 . 1 114 114 SER C C 13 173.814 0.01 . . . . . . . 296 SER C . 51237 1 666 . 1 . 1 114 114 SER CA C 13 58.404 0.02 . . . . . . . 296 SER CA . 51237 1 667 . 1 . 1 114 114 SER CB C 13 64.073 0.08 . . . . . . . 296 SER CB . 51237 1 668 . 1 . 1 114 114 SER N N 15 114.595 0.02 . . . . . . . 296 SER N . 51237 1 669 . 1 . 1 115 115 SER H H 1 7.934 0.00 . . . . . . . 297 SER H . 51237 1 670 . 1 . 1 115 115 SER C C 13 178.609 0.00 . . . . . . . 297 SER C . 51237 1 671 . 1 . 1 115 115 SER CA C 13 60.164 0.00 . . . . . . . 297 SER CA . 51237 1 672 . 1 . 1 115 115 SER CB C 13 64.854 0.00 . . . . . . . 297 SER CB . 51237 1 673 . 1 . 1 115 115 SER N N 15 123.096 0.01 . . . . . . . 297 SER N . 51237 1 stop_ save_