data_27895 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27895 _Entry.Title ; Backbone 1H, 13C, and 15N Chemical Shift Assignments for dimerization domain of NF-kappaB p50 subunit ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2019-05-09 _Entry.Accession_date 2019-05-09 _Entry.Last_release_date 2019-05-09 _Entry.Original_release_date 2019-05-09 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.6.0 _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 Sulakshana Mukherjee . P. . . 27895 2 Manish Kumar . . . . 27895 3 Prikshat Dadhwal . . . . 27895 4 Hanudatta Atreya . S. . . 27895 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'IIT Roorkee' . 27895 2 . 'IISc Bangalore' . 27895 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 27895 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 297 27895 '15N chemical shifts' 98 27895 '1H chemical shifts' 201 27895 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 . . 2020-03-31 2019-05-09 update BMRB 'update entry citation' 27895 1 . . 2019-11-25 2019-05-09 original author 'original release' 27895 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 27895 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 31446566 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Backbone resonance assignments of the dimeric domain of the p50 NF-kappaB subunit ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full . _Citation.Journal_volume 14 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _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 9 _Citation.Page_last 11 _Citation.Year 2019 _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 Manish Kumar . . . . 27895 1 2 Prikshat Dadhwal . . . . 27895 1 3 Hanudatta Atreya . S. . . 27895 1 4 Sulakshana Mukherjee . P. . . 27895 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27895 _Assembly.ID 1 _Assembly.Name 'NF-kappaB p50 dimerization domain' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'p50 dimerization domain' 1 $p50-DD A . yes native no no . . . 27895 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_p50-DD _Entity.Sf_category entity _Entity.Sf_framecode p50-DD _Entity.Entry_ID 27895 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name p50-DD _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 ; MASNLKIVRMDRTAGCVTGG EEIYLLCDKVQKDDIQIRFY EEEENGGVWEGFGDFSPTDV HRQFAIVFKTPKYKDVNITK PASVFVQLRRKSDLETSEPK PFLYYPE ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _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 107 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _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_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 1 244 MET . 27895 1 2 245 ALA . 27895 1 3 246 SER . 27895 1 4 247 ASN . 27895 1 5 248 LEU . 27895 1 6 249 LYS . 27895 1 7 250 ILE . 27895 1 8 251 VAL . 27895 1 9 252 ARG . 27895 1 10 253 MET . 27895 1 11 254 ASP . 27895 1 12 255 ARG . 27895 1 13 256 THR . 27895 1 14 257 ALA . 27895 1 15 258 GLY . 27895 1 16 259 CYS . 27895 1 17 260 VAL . 27895 1 18 261 THR . 27895 1 19 262 GLY . 27895 1 20 263 GLY . 27895 1 21 264 GLU . 27895 1 22 265 GLU . 27895 1 23 266 ILE . 27895 1 24 267 TYR . 27895 1 25 268 LEU . 27895 1 26 269 LEU . 27895 1 27 270 CYS . 27895 1 28 271 ASP . 27895 1 29 272 LYS . 27895 1 30 273 VAL . 27895 1 31 274 GLN . 27895 1 32 275 LYS . 27895 1 33 276 ASP . 27895 1 34 277 ASP . 27895 1 35 278 ILE . 27895 1 36 279 GLN . 27895 1 37 280 ILE . 27895 1 38 281 ARG . 27895 1 39 282 PHE . 27895 1 40 283 TYR . 27895 1 41 284 GLU . 27895 1 42 285 GLU . 27895 1 43 286 GLU . 27895 1 44 287 GLU . 27895 1 45 288 ASN . 27895 1 46 289 GLY . 27895 1 47 290 GLY . 27895 1 48 291 VAL . 27895 1 49 292 TRP . 27895 1 50 293 GLU . 27895 1 51 294 GLY . 27895 1 52 295 PHE . 27895 1 53 296 GLY . 27895 1 54 297 ASP . 27895 1 55 298 PHE . 27895 1 56 299 SER . 27895 1 57 300 PRO . 27895 1 58 301 THR . 27895 1 59 302 ASP . 27895 1 60 303 VAL . 27895 1 61 304 HIS . 27895 1 62 305 ARG . 27895 1 63 306 GLN . 27895 1 64 307 PHE . 27895 1 65 308 ALA . 27895 1 66 309 ILE . 27895 1 67 310 VAL . 27895 1 68 311 PHE . 27895 1 69 312 LYS . 27895 1 70 313 THR . 27895 1 71 314 PRO . 27895 1 72 315 LYS . 27895 1 73 316 TYR . 27895 1 74 317 LYS . 27895 1 75 318 ASP . 27895 1 76 319 VAL . 27895 1 77 320 ASN . 27895 1 78 321 ILE . 27895 1 79 322 THR . 27895 1 80 323 LYS . 27895 1 81 324 PRO . 27895 1 82 325 ALA . 27895 1 83 326 SER . 27895 1 84 327 VAL . 27895 1 85 328 PHE . 27895 1 86 329 VAL . 27895 1 87 330 GLN . 27895 1 88 331 LEU . 27895 1 89 332 ARG . 27895 1 90 333 ARG . 27895 1 91 334 LYS . 27895 1 92 335 SER . 27895 1 93 336 ASP . 27895 1 94 337 LEU . 27895 1 95 338 GLU . 27895 1 96 339 THR . 27895 1 97 340 SER . 27895 1 98 341 GLU . 27895 1 99 342 PRO . 27895 1 100 343 LYS . 27895 1 101 344 PRO . 27895 1 102 345 PHE . 27895 1 103 346 LEU . 27895 1 104 347 TYR . 27895 1 105 348 TYR . 27895 1 106 349 PRO . 27895 1 107 350 GLU . 27895 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 . MET 1 1 27895 1 . ALA 2 2 27895 1 . SER 3 3 27895 1 . ASN 4 4 27895 1 . LEU 5 5 27895 1 . LYS 6 6 27895 1 . ILE 7 7 27895 1 . VAL 8 8 27895 1 . ARG 9 9 27895 1 . MET 10 10 27895 1 . ASP 11 11 27895 1 . ARG 12 12 27895 1 . THR 13 13 27895 1 . ALA 14 14 27895 1 . GLY 15 15 27895 1 . CYS 16 16 27895 1 . VAL 17 17 27895 1 . THR 18 18 27895 1 . GLY 19 19 27895 1 . GLY 20 20 27895 1 . GLU 21 21 27895 1 . GLU 22 22 27895 1 . ILE 23 23 27895 1 . TYR 24 24 27895 1 . LEU 25 25 27895 1 . LEU 26 26 27895 1 . CYS 27 27 27895 1 . ASP 28 28 27895 1 . LYS 29 29 27895 1 . VAL 30 30 27895 1 . GLN 31 31 27895 1 . LYS 32 32 27895 1 . ASP 33 33 27895 1 . ASP 34 34 27895 1 . ILE 35 35 27895 1 . GLN 36 36 27895 1 . ILE 37 37 27895 1 . ARG 38 38 27895 1 . PHE 39 39 27895 1 . TYR 40 40 27895 1 . GLU 41 41 27895 1 . GLU 42 42 27895 1 . GLU 43 43 27895 1 . GLU 44 44 27895 1 . ASN 45 45 27895 1 . GLY 46 46 27895 1 . GLY 47 47 27895 1 . VAL 48 48 27895 1 . TRP 49 49 27895 1 . GLU 50 50 27895 1 . GLY 51 51 27895 1 . PHE 52 52 27895 1 . GLY 53 53 27895 1 . ASP 54 54 27895 1 . PHE 55 55 27895 1 . SER 56 56 27895 1 . PRO 57 57 27895 1 . THR 58 58 27895 1 . ASP 59 59 27895 1 . VAL 60 60 27895 1 . HIS 61 61 27895 1 . ARG 62 62 27895 1 . GLN 63 63 27895 1 . PHE 64 64 27895 1 . ALA 65 65 27895 1 . ILE 66 66 27895 1 . VAL 67 67 27895 1 . PHE 68 68 27895 1 . LYS 69 69 27895 1 . THR 70 70 27895 1 . PRO 71 71 27895 1 . LYS 72 72 27895 1 . TYR 73 73 27895 1 . LYS 74 74 27895 1 . ASP 75 75 27895 1 . VAL 76 76 27895 1 . ASN 77 77 27895 1 . ILE 78 78 27895 1 . THR 79 79 27895 1 . LYS 80 80 27895 1 . PRO 81 81 27895 1 . ALA 82 82 27895 1 . SER 83 83 27895 1 . VAL 84 84 27895 1 . PHE 85 85 27895 1 . VAL 86 86 27895 1 . GLN 87 87 27895 1 . LEU 88 88 27895 1 . ARG 89 89 27895 1 . ARG 90 90 27895 1 . LYS 91 91 27895 1 . SER 92 92 27895 1 . ASP 93 93 27895 1 . LEU 94 94 27895 1 . GLU 95 95 27895 1 . THR 96 96 27895 1 . SER 97 97 27895 1 . GLU 98 98 27895 1 . PRO 99 99 27895 1 . LYS 100 100 27895 1 . PRO 101 101 27895 1 . PHE 102 102 27895 1 . LEU 103 103 27895 1 . TYR 104 104 27895 1 . TYR 105 105 27895 1 . PRO 106 106 27895 1 . GLU 107 107 27895 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 27895 _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 $p50-DD . 10090 organism . 'Mus musculus' Mouse . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . . . 27895 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 27895 _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 $p50-DD . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL-21(DE3) . . . . . pET . . . 27895 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 27895 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 p50-DD '[U-98% 13C; U-98% 15N]' . . 1 $p50-DD . . 1.2 . . mM . . . . 27895 1 2 NaCl 'natural abundance' . . . . . . 50 . . mM . . . . 27895 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 27895 _Sample.ID 2 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% 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 p50-DD [U-15N] . . 1 $p50-DD . . 2 . . mM . . . . 27895 2 2 NaCl 'natural abundance' . . . . . . 50 . . mM . . . . 27895 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 27895 _Sample.ID 3 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% 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 p50-DD '[U-99% 13C; U-99% 15N]' . . 1 $p50-DD . . 1.2 . . mM . . . . 27895 3 2 NaCl 'natural abundance' . . . . . . 50 . . mM . . . . 27895 3 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 27895 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.05 . M 27895 1 pH 6.8 . pH 27895 1 pressure 1 . atm 27895 1 temperature 298 . K 27895 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 27895 _Software.ID 1 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Zhengrong and Bax' . . 27895 1 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . processing 27895 1 stop_ save_ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 27895 _Software.ID 2 _Software.Type . _Software.Name CARA _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Keller . . 27895 2 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'chemical shift assignment' 27895 2 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 27895 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 27895 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Ascend _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 27895 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 800 . . . 27895 1 2 spectrometer_2 Bruker Ascend . 800 . . . 27895 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 27895 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 27895 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 27895 1 3 '3D HNCO' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 27895 1 4 '3D HNCA' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 27895 1 5 '3D HNCACB' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 27895 1 6 '3D CBCA(CO)NH' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 27895 1 7 '3D HN(CO)CA' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 27895 1 8 '3D 1H-15N NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 27895 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 27895 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 27895 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 27895 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 27895 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 27895 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $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 HSQC' . . . 27895 1 2 '2D 1H-13C HSQC' . . . 27895 1 3 '3D HNCO' . . . 27895 1 4 '3D HNCA' . . . 27895 1 5 '3D HNCACB' . . . 27895 1 6 '3D CBCA(CO)NH' . . . 27895 1 7 '3D HN(CO)CA' . . . 27895 1 8 '3D 1H-15N NOESY' . . . 27895 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 SER C C 13 174.917 . . 1 . . . . . 246 SER C . 27895 1 2 . 1 . 1 4 4 ASN H H 1 8.619 . . 1 . . . . . 247 ASN H . 27895 1 3 . 1 . 1 4 4 ASN HA H 1 4.628 . . 1 . . . . . 247 ASN HA . 27895 1 4 . 1 . 1 4 4 ASN C C 13 176.187 . . 1 . . . . . 247 ASN C . 27895 1 5 . 1 . 1 4 4 ASN CA C 13 53.43 . . 1 . . . . . 247 ASN CA . 27895 1 6 . 1 . 1 4 4 ASN CB C 13 38.705 . . 1 . . . . . 247 ASN CB . 27895 1 7 . 1 . 1 4 4 ASN N N 15 120.132 . . 1 . . . . . 247 ASN N . 27895 1 8 . 1 . 1 5 5 LEU H H 1 8.234 . . 1 . . . . . 248 LEU H . 27895 1 9 . 1 . 1 5 5 LEU HA H 1 4.447 . . 1 . . . . . 248 LEU HA . 27895 1 10 . 1 . 1 5 5 LEU C C 13 176.892 . . 1 . . . . . 248 LEU C . 27895 1 11 . 1 . 1 5 5 LEU CA C 13 54.139 . . 1 . . . . . 248 LEU CA . 27895 1 12 . 1 . 1 5 5 LEU CB C 13 43.959 . . 1 . . . . . 248 LEU CB . 27895 1 13 . 1 . 1 5 5 LEU N N 15 121.582 . . 1 . . . . . 248 LEU N . 27895 1 14 . 1 . 1 6 6 LYS H H 1 8.684 . . 1 . . . . . 249 LYS H . 27895 1 15 . 1 . 1 6 6 LYS HA H 1 4.702 . . 1 . . . . . 249 LYS HA . 27895 1 16 . 1 . 1 6 6 LYS C C 13 175.67 . . 1 . . . . . 249 LYS C . 27895 1 17 . 1 . 1 6 6 LYS CA C 13 56.949 . . 1 . . . . . 249 LYS CA . 27895 1 18 . 1 . 1 6 6 LYS CB C 13 37.147 . . 1 . . . . . 249 LYS CB . 27895 1 19 . 1 . 1 6 6 LYS N N 15 122.148 . . 1 . . . . . 249 LYS N . 27895 1 20 . 1 . 1 7 7 ILE H H 1 9.091 . . 1 . . . . . 250 ILE H . 27895 1 21 . 1 . 1 7 7 ILE C C 13 175.552 . . 1 . . . . . 250 ILE C . 27895 1 22 . 1 . 1 7 7 ILE CA C 13 62.39 . . 1 . . . . . 250 ILE CA . 27895 1 23 . 1 . 1 7 7 ILE CB C 13 37.757 . . 1 . . . . . 250 ILE CB . 27895 1 24 . 1 . 1 7 7 ILE N N 15 126.003 . . 1 . . . . . 250 ILE N . 27895 1 25 . 1 . 1 8 8 VAL H H 1 9.086 . . 1 . . . . . 251 VAL H . 27895 1 26 . 1 . 1 8 8 VAL HA H 1 3.86 . . 1 . . . . . 251 VAL HA . 27895 1 27 . 1 . 1 8 8 VAL C C 13 177.157 . . 1 . . . . . 251 VAL C . 27895 1 28 . 1 . 1 8 8 VAL CA C 13 65.489 . . 1 . . . . . 251 VAL CA . 27895 1 29 . 1 . 1 8 8 VAL CB C 13 32.296 . . 1 . . . . . 251 VAL CB . 27895 1 30 . 1 . 1 8 8 VAL N N 15 129.482 . . 1 . . . . . 251 VAL N . 27895 1 31 . 1 . 1 9 9 ARG H H 1 7.7 . . 1 . . . . . 252 ARG H . 27895 1 32 . 1 . 1 9 9 ARG HA H 1 4.631 . . 1 . . . . . 252 ARG HA . 27895 1 33 . 1 . 1 9 9 ARG C C 13 174.236 . . 1 . . . . . 252 ARG C . 27895 1 34 . 1 . 1 9 9 ARG CA C 13 55.751 . . 1 . . . . . 252 ARG CA . 27895 1 35 . 1 . 1 9 9 ARG CB C 13 34.3 . . 1 . . . . . 252 ARG CB . 27895 1 36 . 1 . 1 9 9 ARG N N 15 114.301 . . 1 . . . . . 252 ARG N . 27895 1 37 . 1 . 1 10 10 MET H H 1 8.621 . . 1 . . . . . 253 MET H . 27895 1 38 . 1 . 1 10 10 MET HA H 1 5.423 . . 1 . . . . . 253 MET HA . 27895 1 39 . 1 . 1 10 10 MET C C 13 175.387 . . 1 . . . . . 253 MET C . 27895 1 40 . 1 . 1 10 10 MET CA C 13 54.997 . . 1 . . . . . 253 MET CA . 27895 1 41 . 1 . 1 10 10 MET CB C 13 38.029 . . 1 . . . . . 253 MET CB . 27895 1 42 . 1 . 1 10 10 MET N N 15 119.804 . . 1 . . . . . 253 MET N . 27895 1 43 . 1 . 1 11 11 ASP H H 1 8.301 . . 1 . . . . . 254 ASP H . 27895 1 44 . 1 . 1 11 11 ASP HA H 1 3.803 . . 1 . . . . . 254 ASP HA . 27895 1 45 . 1 . 1 11 11 ASP C C 13 175.579 . . 1 . . . . . 254 ASP C . 27895 1 46 . 1 . 1 11 11 ASP CA C 13 55.231 . . 1 . . . . . 254 ASP CA . 27895 1 47 . 1 . 1 11 11 ASP CB C 13 37.655 . . 1 . . . . . 254 ASP CB . 27895 1 48 . 1 . 1 11 11 ASP N N 15 119.539 . . 1 . . . . . 254 ASP N . 27895 1 49 . 1 . 1 12 12 ARG H H 1 7.18 . . 1 . . . . . 255 ARG H . 27895 1 50 . 1 . 1 12 12 ARG HA H 1 4.677 . . 1 . . . . . 255 ARG HA . 27895 1 51 . 1 . 1 12 12 ARG C C 13 175.411 . . 1 . . . . . 255 ARG C . 27895 1 52 . 1 . 1 12 12 ARG CA C 13 55.442 . . 1 . . . . . 255 ARG CA . 27895 1 53 . 1 . 1 12 12 ARG CB C 13 33.89 . . 1 . . . . . 255 ARG CB . 27895 1 54 . 1 . 1 12 12 ARG N N 15 119.358 . . 1 . . . . . 255 ARG N . 27895 1 55 . 1 . 1 13 13 THR H H 1 8.455 . . 1 . . . . . 256 THR H . 27895 1 56 . 1 . 1 13 13 THR HA H 1 4.553 . . 1 . . . . . 256 THR HA . 27895 1 57 . 1 . 1 13 13 THR C C 13 172.733 . . 1 . . . . . 256 THR C . 27895 1 58 . 1 . 1 13 13 THR CA C 13 60.217 . . 1 . . . . . 256 THR CA . 27895 1 59 . 1 . 1 13 13 THR CB C 13 68.463 . . 1 . . . . . 256 THR CB . 27895 1 60 . 1 . 1 13 13 THR N N 15 109.282 . . 1 . . . . . 256 THR N . 27895 1 61 . 1 . 1 14 14 ALA H H 1 7.267 . . 1 . . . . . 257 ALA H . 27895 1 62 . 1 . 1 14 14 ALA HA H 1 4.186 . . 1 . . . . . 257 ALA HA . 27895 1 63 . 1 . 1 14 14 ALA C C 13 176.822 . . 1 . . . . . 257 ALA C . 27895 1 64 . 1 . 1 14 14 ALA CA C 13 49.756 . . 1 . . . . . 257 ALA CA . 27895 1 65 . 1 . 1 14 14 ALA CB C 13 23.267 . . 1 . . . . . 257 ALA CB . 27895 1 66 . 1 . 1 14 14 ALA N N 15 123.912 . . 1 . . . . . 257 ALA N . 27895 1 67 . 1 . 1 15 15 GLY H H 1 8.398 . . 1 . . . . . 258 GLY H . 27895 1 68 . 1 . 1 15 15 GLY HA2 H 1 4.303 . . 9 . . . . . 258 GLY HA . 27895 1 69 . 1 . 1 15 15 GLY HA3 H 1 4.303 . . 9 . . . . . 258 GLY HA . 27895 1 70 . 1 . 1 15 15 GLY C C 13 171.18 . . 1 . . . . . 258 GLY C . 27895 1 71 . 1 . 1 15 15 GLY CA C 13 44.785 . . 1 . . . . . 258 GLY CA . 27895 1 72 . 1 . 1 15 15 GLY N N 15 107.974 . . 1 . . . . . 258 GLY N . 27895 1 73 . 1 . 1 16 16 CYS H H 1 9.021 . . 1 . . . . . 259 CYS H . 27895 1 74 . 1 . 1 16 16 CYS HA H 1 4.275 . . 1 . . . . . 259 CYS HA . 27895 1 75 . 1 . 1 16 16 CYS C C 13 179.265 . . 1 . . . . . 259 CYS C . 27895 1 76 . 1 . 1 16 16 CYS CA C 13 59.027 . . 1 . . . . . 259 CYS CA . 27895 1 77 . 1 . 1 16 16 CYS CB C 13 27.691 . . 1 . . . . . 259 CYS CB . 27895 1 78 . 1 . 1 16 16 CYS N N 15 120.109 . . 1 . . . . . 259 CYS N . 27895 1 79 . 1 . 1 17 17 VAL H H 1 8.468 . . 1 . . . . . 260 VAL H . 27895 1 80 . 1 . 1 17 17 VAL HA H 1 3.938 . . 1 . . . . . 260 VAL HA . 27895 1 81 . 1 . 1 17 17 VAL C C 13 175.459 . . 1 . . . . . 260 VAL C . 27895 1 82 . 1 . 1 17 17 VAL CA C 13 64.83 . . 1 . . . . . 260 VAL CA . 27895 1 83 . 1 . 1 17 17 VAL CB C 13 33.046 . . 1 . . . . . 260 VAL CB . 27895 1 84 . 1 . 1 17 17 VAL N N 15 123.17 . . 1 . . . . . 260 VAL N . 27895 1 85 . 1 . 1 18 18 THR H H 1 7.357 . . 1 . . . . . 261 THR H . 27895 1 86 . 1 . 1 18 18 THR HA H 1 3.906 . . 1 . . . . . 261 THR HA . 27895 1 87 . 1 . 1 18 18 THR C C 13 176.559 . . 1 . . . . . 261 THR C . 27895 1 88 . 1 . 1 18 18 THR CA C 13 64.004 . . 1 . . . . . 261 THR CA . 27895 1 89 . 1 . 1 18 18 THR CB C 13 68.666 . . 1 . . . . . 261 THR CB . 27895 1 90 . 1 . 1 18 18 THR N N 15 109.501 . . 1 . . . . . 261 THR N . 27895 1 91 . 1 . 1 19 19 GLY H H 1 7.728 . . 1 . . . . . 262 GLY H . 27895 1 92 . 1 . 1 19 19 GLY HA2 H 1 3.673 . . 2 . . . . . 262 GLY HA2 . 27895 1 93 . 1 . 1 19 19 GLY HA3 H 1 3.897 . . 2 . . . . . 262 GLY HA3 . 27895 1 94 . 1 . 1 19 19 GLY C C 13 174.144 . . 1 . . . . . 262 GLY C . 27895 1 95 . 1 . 1 19 19 GLY CA C 13 44.405 . . 1 . . . . . 262 GLY CA . 27895 1 96 . 1 . 1 19 19 GLY N N 15 106.192 . . 1 . . . . . 262 GLY N . 27895 1 97 . 1 . 1 20 20 GLY H H 1 9.069 . . 1 . . . . . 263 GLY H . 27895 1 98 . 1 . 1 20 20 GLY HA2 H 1 3.645 . . 2 . . . . . 263 GLY HA2 . 27895 1 99 . 1 . 1 20 20 GLY HA3 H 1 3.729 . . 2 . . . . . 263 GLY HA3 . 27895 1 100 . 1 . 1 20 20 GLY C C 13 175.22 . . 1 . . . . . 263 GLY C . 27895 1 101 . 1 . 1 20 20 GLY CA C 13 46.097 . . 1 . . . . . 263 GLY CA . 27895 1 102 . 1 . 1 20 20 GLY N N 15 106.988 . . 1 . . . . . 263 GLY N . 27895 1 103 . 1 . 1 21 21 GLU H H 1 7.837 . . 1 . . . . . 264 GLU H . 27895 1 104 . 1 . 1 21 21 GLU HA H 1 4.441 . . 1 . . . . . 264 GLU HA . 27895 1 105 . 1 . 1 21 21 GLU C C 13 176.163 . . 1 . . . . . 264 GLU C . 27895 1 106 . 1 . 1 21 21 GLU CA C 13 55.459 . . 1 . . . . . 264 GLU CA . 27895 1 107 . 1 . 1 21 21 GLU CB C 13 31.313 . . 1 . . . . . 264 GLU CB . 27895 1 108 . 1 . 1 21 21 GLU N N 15 119.373 . . 1 . . . . . 264 GLU N . 27895 1 109 . 1 . 1 22 22 GLU H H 1 8.664 . . 1 . . . . . 265 GLU H . 27895 1 110 . 1 . 1 22 22 GLU HA H 1 4.452 . . 1 . . . . . 265 GLU HA . 27895 1 111 . 1 . 1 22 22 GLU C C 13 176.516 . . 1 . . . . . 265 GLU C . 27895 1 112 . 1 . 1 22 22 GLU CA C 13 56.923 . . 1 . . . . . 265 GLU CA . 27895 1 113 . 1 . 1 22 22 GLU CB C 13 31.954 . . 1 . . . . . 265 GLU CB . 27895 1 114 . 1 . 1 22 22 GLU N N 15 123.337 . . 1 . . . . . 265 GLU N . 27895 1 115 . 1 . 1 23 23 ILE H H 1 9.203 . . 1 . . . . . 266 ILE H . 27895 1 116 . 1 . 1 23 23 ILE HA H 1 4.365 . . 1 . . . . . 266 ILE HA . 27895 1 117 . 1 . 1 23 23 ILE C C 13 174.048 . . 1 . . . . . 266 ILE C . 27895 1 118 . 1 . 1 23 23 ILE CA C 13 60.229 . . 1 . . . . . 266 ILE CA . 27895 1 119 . 1 . 1 23 23 ILE CB C 13 39.909 . . 1 . . . . . 266 ILE CB . 27895 1 120 . 1 . 1 23 23 ILE N N 15 128.354 . . 1 . . . . . 266 ILE N . 27895 1 121 . 1 . 1 24 24 TYR H H 1 8.704 . . 1 . . . . . 267 TYR H . 27895 1 122 . 1 . 1 24 24 TYR HA H 1 4.851 . . 1 . . . . . 267 TYR HA . 27895 1 123 . 1 . 1 24 24 TYR C C 13 173.766 . . 1 . . . . . 267 TYR C . 27895 1 124 . 1 . 1 24 24 TYR CA C 13 56.39 . . 1 . . . . . 267 TYR CA . 27895 1 125 . 1 . 1 24 24 TYR CB C 13 39.116 . . 1 . . . . . 267 TYR CB . 27895 1 126 . 1 . 1 24 24 TYR N N 15 125.651 . . 1 . . . . . 267 TYR N . 27895 1 127 . 1 . 1 25 25 LEU H H 1 9.006 . . 1 . . . . . 268 LEU H . 27895 1 128 . 1 . 1 25 25 LEU HA H 1 5.026 . . 1 . . . . . 268 LEU HA . 27895 1 129 . 1 . 1 25 25 LEU C C 13 175.152 . . 1 . . . . . 268 LEU C . 27895 1 130 . 1 . 1 25 25 LEU CA C 13 54.128 . . 1 . . . . . 268 LEU CA . 27895 1 131 . 1 . 1 25 25 LEU CB C 13 46.29 . . 1 . . . . . 268 LEU CB . 27895 1 132 . 1 . 1 25 25 LEU N N 15 125.052 . . 1 . . . . . 268 LEU N . 27895 1 133 . 1 . 1 26 26 LEU H H 1 9.372 . . 1 . . . . . 269 LEU H . 27895 1 134 . 1 . 1 26 26 LEU C C 13 176.124 . . 1 . . . . . 269 LEU C . 27895 1 135 . 1 . 1 26 26 LEU CA C 13 53.932 . . 1 . . . . . 269 LEU CA . 27895 1 136 . 1 . 1 26 26 LEU CB C 13 39.545 . . 1 . . . . . 269 LEU CB . 27895 1 137 . 1 . 1 26 26 LEU N N 15 125.032 . . 1 . . . . . 269 LEU N . 27895 1 138 . 1 . 1 27 27 CYS H H 1 8.862 . . 1 . . . . . 270 CYS H . 27895 1 139 . 1 . 1 27 27 CYS HA H 1 5.594 . . 1 . . . . . 270 CYS HA . 27895 1 140 . 1 . 1 27 27 CYS C C 13 175.005 . . 1 . . . . . 270 CYS C . 27895 1 141 . 1 . 1 27 27 CYS CA C 13 54.665 . . 1 . . . . . 270 CYS CA . 27895 1 142 . 1 . 1 27 27 CYS CB C 13 34.507 . . 1 . . . . . 270 CYS CB . 27895 1 143 . 1 . 1 27 27 CYS N N 15 122.193 . . 1 . . . . . 270 CYS N . 27895 1 144 . 1 . 1 28 28 ASP H H 1 7.395 . . 1 . . . . . 271 ASP H . 27895 1 145 . 1 . 1 28 28 ASP HA H 1 5.334 . . 1 . . . . . 271 ASP HA . 27895 1 146 . 1 . 1 28 28 ASP C C 13 175.881 . . 1 . . . . . 271 ASP C . 27895 1 147 . 1 . 1 28 28 ASP CA C 13 54.964 . . 1 . . . . . 271 ASP CA . 27895 1 148 . 1 . 1 28 28 ASP CB C 13 41.758 . . 1 . . . . . 271 ASP CB . 27895 1 149 . 1 . 1 28 28 ASP N N 15 118.048 . . 1 . . . . . 271 ASP N . 27895 1 150 . 1 . 1 29 29 LYS H H 1 8.221 . . 1 . . . . . 272 LYS H . 27895 1 151 . 1 . 1 29 29 LYS HA H 1 3.649 . . 1 . . . . . 272 LYS HA . 27895 1 152 . 1 . 1 29 29 LYS C C 13 178.466 . . 1 . . . . . 272 LYS C . 27895 1 153 . 1 . 1 29 29 LYS CA C 13 58.695 . . 1 . . . . . 272 LYS CA . 27895 1 154 . 1 . 1 29 29 LYS CB C 13 32.891 . . 1 . . . . . 272 LYS CB . 27895 1 155 . 1 . 1 29 29 LYS N N 15 118.477 . . 1 . . . . . 272 LYS N . 27895 1 156 . 1 . 1 30 30 VAL H H 1 8.528 . . 1 . . . . . 273 VAL H . 27895 1 157 . 1 . 1 30 30 VAL HA H 1 4.48 . . 1 . . . . . 273 VAL HA . 27895 1 158 . 1 . 1 30 30 VAL C C 13 177.456 . . 1 . . . . . 273 VAL C . 27895 1 159 . 1 . 1 30 30 VAL CA C 13 58.891 . . 1 . . . . . 273 VAL CA . 27895 1 160 . 1 . 1 30 30 VAL CB C 13 35.919 . . 1 . . . . . 273 VAL CB . 27895 1 161 . 1 . 1 30 30 VAL N N 15 120.154 . . 1 . . . . . 273 VAL N . 27895 1 162 . 1 . 1 31 31 GLN H H 1 8.631 . . 1 . . . . . 274 GLN H . 27895 1 163 . 1 . 1 31 31 GLN HA H 1 4.589 . . 1 . . . . . 274 GLN HA . 27895 1 164 . 1 . 1 31 31 GLN C C 13 179.063 . . 1 . . . . . 274 GLN C . 27895 1 165 . 1 . 1 31 31 GLN CA C 13 54.287 . . 1 . . . . . 274 GLN CA . 27895 1 166 . 1 . 1 31 31 GLN CB C 13 29.771 . . 1 . . . . . 274 GLN CB . 27895 1 167 . 1 . 1 31 31 GLN N N 15 120.194 . . 1 . . . . . 274 GLN N . 27895 1 168 . 1 . 1 32 32 LYS H H 1 8.836 . . 1 . . . . . 275 LYS H . 27895 1 169 . 1 . 1 32 32 LYS HA H 1 3.999 . . 1 . . . . . 275 LYS HA . 27895 1 170 . 1 . 1 32 32 LYS C C 13 175.529 . . 1 . . . . . 275 LYS C . 27895 1 171 . 1 . 1 32 32 LYS CA C 13 59.85 . . 1 . . . . . 275 LYS CA . 27895 1 172 . 1 . 1 32 32 LYS CB C 13 32.41 . . 1 . . . . . 275 LYS CB . 27895 1 173 . 1 . 1 32 32 LYS N N 15 123.617 . . 1 . . . . . 275 LYS N . 27895 1 174 . 1 . 1 33 33 ASP H H 1 8.242 . . 1 . . . . . 276 ASP H . 27895 1 175 . 1 . 1 33 33 ASP HA H 1 4.787 . . 1 . . . . . 276 ASP HA . 27895 1 176 . 1 . 1 33 33 ASP C C 13 174.721 . . 1 . . . . . 276 ASP C . 27895 1 177 . 1 . 1 33 33 ASP CA C 13 53.69 . . 1 . . . . . 276 ASP CA . 27895 1 178 . 1 . 1 33 33 ASP CB C 13 40.758 . . 1 . . . . . 276 ASP CB . 27895 1 179 . 1 . 1 33 33 ASP N N 15 116.347 . . 1 . . . . . 276 ASP N . 27895 1 180 . 1 . 1 34 34 ASP H H 1 8.124 . . 1 . . . . . 277 ASP H . 27895 1 181 . 1 . 1 34 34 ASP HA H 1 5.156 . . 1 . . . . . 277 ASP HA . 27895 1 182 . 1 . 1 34 34 ASP C C 13 175.626 . . 1 . . . . . 277 ASP C . 27895 1 183 . 1 . 1 34 34 ASP CA C 13 52.675 . . 1 . . . . . 277 ASP CA . 27895 1 184 . 1 . 1 34 34 ASP CB C 13 41.801 . . 1 . . . . . 277 ASP CB . 27895 1 185 . 1 . 1 34 34 ASP N N 15 120.668 . . 1 . . . . . 277 ASP N . 27895 1 186 . 1 . 1 35 35 ILE H H 1 7.883 . . 1 . . . . . 278 ILE H . 27895 1 187 . 1 . 1 35 35 ILE HA H 1 5.187 . . 1 . . . . . 278 ILE HA . 27895 1 188 . 1 . 1 35 35 ILE C C 13 172.661 . . 1 . . . . . 278 ILE C . 27895 1 189 . 1 . 1 35 35 ILE CA C 13 57.103 . . 1 . . . . . 278 ILE CA . 27895 1 190 . 1 . 1 35 35 ILE CB C 13 42.609 . . 1 . . . . . 278 ILE CB . 27895 1 191 . 1 . 1 35 35 ILE N N 15 117.479 . . 1 . . . . . 278 ILE N . 27895 1 192 . 1 . 1 36 36 GLN H H 1 8.974 . . 1 . . . . . 279 GLN H . 27895 1 193 . 1 . 1 36 36 GLN HA H 1 4.827 . . 1 . . . . . 279 GLN HA . 27895 1 194 . 1 . 1 36 36 GLN C C 13 174.682 . . 1 . . . . . 279 GLN C . 27895 1 195 . 1 . 1 36 36 GLN CA C 13 53.984 . . 1 . . . . . 279 GLN CA . 27895 1 196 . 1 . 1 36 36 GLN CB C 13 33.355 . . 1 . . . . . 279 GLN CB . 27895 1 197 . 1 . 1 36 36 GLN N N 15 124.578 . . 1 . . . . . 279 GLN N . 27895 1 198 . 1 . 1 37 37 ILE H H 1 9.439 . . 1 . . . . . 280 ILE H . 27895 1 199 . 1 . 1 37 37 ILE HA H 1 4.296 . . 1 . . . . . 280 ILE HA . 27895 1 200 . 1 . 1 37 37 ILE C C 13 174.236 . . 1 . . . . . 280 ILE C . 27895 1 201 . 1 . 1 37 37 ILE CA C 13 60.809 . . 1 . . . . . 280 ILE CA . 27895 1 202 . 1 . 1 37 37 ILE CB C 13 39.79 . . 1 . . . . . 280 ILE CB . 27895 1 203 . 1 . 1 37 37 ILE N N 15 122.228 . . 1 . . . . . 280 ILE N . 27895 1 204 . 1 . 1 38 38 ARG H H 1 8.979 . . 1 . . . . . 281 ARG H . 27895 1 205 . 1 . 1 38 38 ARG HA H 1 4.501 . . 1 . . . . . 281 ARG HA . 27895 1 206 . 1 . 1 38 38 ARG C C 13 174.494 . . 1 . . . . . 281 ARG C . 27895 1 207 . 1 . 1 38 38 ARG CA C 13 55.072 . . 1 . . . . . 281 ARG CA . 27895 1 208 . 1 . 1 38 38 ARG CB C 13 33.806 . . 1 . . . . . 281 ARG CB . 27895 1 209 . 1 . 1 38 38 ARG N N 15 129.458 . . 1 . . . . . 281 ARG N . 27895 1 210 . 1 . 1 39 39 PHE H H 1 9.3 . . 1 . . . . . 282 PHE H . 27895 1 211 . 1 . 1 39 39 PHE HA H 1 4.399 . . 1 . . . . . 282 PHE HA . 27895 1 212 . 1 . 1 39 39 PHE C C 13 175.952 . . 1 . . . . . 282 PHE C . 27895 1 213 . 1 . 1 39 39 PHE CA C 13 55.52 . . 1 . . . . . 282 PHE CA . 27895 1 214 . 1 . 1 39 39 PHE CB C 13 41.112 . . 1 . . . . . 282 PHE CB . 27895 1 215 . 1 . 1 39 39 PHE N N 15 129.654 . . 1 . . . . . 282 PHE N . 27895 1 216 . 1 . 1 40 40 TYR H H 1 9.656 . . 1 . . . . . 283 TYR H . 27895 1 217 . 1 . 1 40 40 TYR HA H 1 5.707 . . 1 . . . . . 283 TYR HA . 27895 1 218 . 1 . 1 40 40 TYR C C 13 173.648 . . 1 . . . . . 283 TYR C . 27895 1 219 . 1 . 1 40 40 TYR CA C 13 56.865 . . 1 . . . . . 283 TYR CA . 27895 1 220 . 1 . 1 40 40 TYR CB C 13 40.705 . . 1 . . . . . 283 TYR CB . 27895 1 221 . 1 . 1 40 40 TYR N N 15 116.865 . . 1 . . . . . 283 TYR N . 27895 1 222 . 1 . 1 41 41 GLU H H 1 8.999 . . 1 . . . . . 284 GLU H . 27895 1 223 . 1 . 1 41 41 GLU HA H 1 4.919 . . 1 . . . . . 284 GLU HA . 27895 1 224 . 1 . 1 41 41 GLU C C 13 176.204 . . 1 . . . . . 284 GLU C . 27895 1 225 . 1 . 1 41 41 GLU CA C 13 55.068 . . 1 . . . . . 284 GLU CA . 27895 1 226 . 1 . 1 41 41 GLU CB C 13 35.215 . . 1 . . . . . 284 GLU CB . 27895 1 227 . 1 . 1 41 41 GLU N N 15 118.998 . . 1 . . . . . 284 GLU N . 27895 1 228 . 1 . 1 42 42 GLU H H 1 9.458 . . 1 . . . . . 285 GLU H . 27895 1 229 . 1 . 1 42 42 GLU HA H 1 4.746 . . 1 . . . . . 285 GLU HA . 27895 1 230 . 1 . 1 42 42 GLU C C 13 176.986 . . 1 . . . . . 285 GLU C . 27895 1 231 . 1 . 1 42 42 GLU CA C 13 56.737 . . 1 . . . . . 285 GLU CA . 27895 1 232 . 1 . 1 42 42 GLU CB C 13 30.335 . . 1 . . . . . 285 GLU CB . 27895 1 233 . 1 . 1 42 42 GLU N N 15 126.69 . . 1 . . . . . 285 GLU N . 27895 1 234 . 1 . 1 43 43 GLU H H 1 8.655 . . 1 . . . . . 286 GLU H . 27895 1 235 . 1 . 1 43 43 GLU HA H 1 4.547 . . 1 . . . . . 286 GLU HA . 27895 1 236 . 1 . 1 43 43 GLU C C 13 178.466 . . 1 . . . . . 286 GLU C . 27895 1 237 . 1 . 1 43 43 GLU CA C 13 55.76 . . 1 . . . . . 286 GLU CA . 27895 1 238 . 1 . 1 43 43 GLU CB C 13 31.351 . . 1 . . . . . 286 GLU CB . 27895 1 239 . 1 . 1 43 43 GLU N N 15 124.19 . . 1 . . . . . 286 GLU N . 27895 1 240 . 1 . 1 44 44 GLU H H 1 8.933 . . 1 . . . . . 287 GLU H . 27895 1 241 . 1 . 1 44 44 GLU HA H 1 4.136 . . 1 . . . . . 287 GLU HA . 27895 1 242 . 1 . 1 44 44 GLU C C 13 177.973 . . 1 . . . . . 287 GLU C . 27895 1 243 . 1 . 1 44 44 GLU CA C 13 58.601 . . 1 . . . . . 287 GLU CA . 27895 1 244 . 1 . 1 44 44 GLU CB C 13 29.72 . . 1 . . . . . 287 GLU CB . 27895 1 245 . 1 . 1 44 44 GLU N N 15 122.404 . . 1 . . . . . 287 GLU N . 27895 1 246 . 1 . 1 45 45 ASN H H 1 8.48 . . 1 . . . . . 288 ASN H . 27895 1 247 . 1 . 1 45 45 ASN HA H 1 4.639 . . 1 . . . . . 288 ASN HA . 27895 1 248 . 1 . 1 45 45 ASN C C 13 176.607 . . 1 . . . . . 288 ASN C . 27895 1 249 . 1 . 1 45 45 ASN CA C 13 53.491 . . 1 . . . . . 288 ASN CA . 27895 1 250 . 1 . 1 45 45 ASN CB C 13 37.859 . . 1 . . . . . 288 ASN CB . 27895 1 251 . 1 . 1 45 45 ASN N N 15 115.897 . . 1 . . . . . 288 ASN N . 27895 1 252 . 1 . 1 46 46 GLY H H 1 8.129 . . 1 . . . . . 289 GLY H . 27895 1 253 . 1 . 1 46 46 GLY HA2 H 1 4.278 . . 2 . . . . . 289 GLY HA2 . 27895 1 254 . 1 . 1 46 46 GLY HA3 H 1 3.837 . . 2 . . . . . 289 GLY HA3 . 27895 1 255 . 1 . 1 46 46 GLY C C 13 175.602 . . 1 . . . . . 289 GLY C . 27895 1 256 . 1 . 1 46 46 GLY CA C 13 45.357 . . 1 . . . . . 289 GLY CA . 27895 1 257 . 1 . 1 46 46 GLY N N 15 107.507 . . 1 . . . . . 289 GLY N . 27895 1 258 . 1 . 1 47 47 GLY H H 1 8.044 . . 1 . . . . . 290 GLY H . 27895 1 259 . 1 . 1 47 47 GLY HA2 H 1 3.925 . . 2 . . . . . 290 GLY HA2 . 27895 1 260 . 1 . 1 47 47 GLY HA3 H 1 4.209 . . 2 . . . . . 290 GLY HA3 . 27895 1 261 . 1 . 1 47 47 GLY C C 13 173.413 . . 1 . . . . . 290 GLY C . 27895 1 262 . 1 . 1 47 47 GLY CA C 13 45.068 . . 1 . . . . . 290 GLY CA . 27895 1 263 . 1 . 1 47 47 GLY N N 15 109.185 . . 1 . . . . . 290 GLY N . 27895 1 264 . 1 . 1 48 48 VAL H H 1 8.303 . . 1 . . . . . 291 VAL H . 27895 1 265 . 1 . 1 48 48 VAL HA H 1 4.965 . . 1 . . . . . 291 VAL HA . 27895 1 266 . 1 . 1 48 48 VAL C C 13 176.727 . . 1 . . . . . 291 VAL C . 27895 1 267 . 1 . 1 48 48 VAL CA C 13 61.251 . . 1 . . . . . 291 VAL CA . 27895 1 268 . 1 . 1 48 48 VAL CB C 13 35.418 . . 1 . . . . . 291 VAL CB . 27895 1 269 . 1 . 1 48 48 VAL N N 15 119.341 . . 1 . . . . . 291 VAL N . 27895 1 270 . 1 . 1 49 49 TRP H H 1 8.955 . . 1 . . . . . 292 TRP H . 27895 1 271 . 1 . 1 49 49 TRP HA H 1 4.647 . . 1 . . . . . 292 TRP HA . 27895 1 272 . 1 . 1 49 49 TRP C C 13 175.076 . . 1 . . . . . 292 TRP C . 27895 1 273 . 1 . 1 49 49 TRP CA C 13 58.115 . . 1 . . . . . 292 TRP CA . 27895 1 274 . 1 . 1 49 49 TRP CB C 13 29.725 . . 1 . . . . . 292 TRP CB . 27895 1 275 . 1 . 1 49 49 TRP N N 15 128.609 . . 1 . . . . . 292 TRP N . 27895 1 276 . 1 . 1 50 50 GLU H H 1 6.957 . . 1 . . . . . 293 GLU H . 27895 1 277 . 1 . 1 50 50 GLU HA H 1 4.639 . . 1 . . . . . 293 GLU HA . 27895 1 278 . 1 . 1 50 50 GLU C C 13 174.144 . . 1 . . . . . 293 GLU C . 27895 1 279 . 1 . 1 50 50 GLU CA C 13 53.26 . . 1 . . . . . 293 GLU CA . 27895 1 280 . 1 . 1 50 50 GLU CB C 13 33.362 . . 1 . . . . . 293 GLU CB . 27895 1 281 . 1 . 1 50 50 GLU N N 15 122.667 . . 1 . . . . . 293 GLU N . 27895 1 282 . 1 . 1 51 51 GLY H H 1 8.268 . . 1 . . . . . 294 GLY H . 27895 1 283 . 1 . 1 51 51 GLY HA2 H 1 4.059 . . 2 . . . . . 294 GLY HA2 . 27895 1 284 . 1 . 1 51 51 GLY HA3 H 1 4.083 . . 2 . . . . . 294 GLY HA3 . 27895 1 285 . 1 . 1 51 51 GLY C C 13 171.533 . . 1 . . . . . 294 GLY C . 27895 1 286 . 1 . 1 51 51 GLY CA C 13 43.742 . . 1 . . . . . 294 GLY CA . 27895 1 287 . 1 . 1 51 51 GLY N N 15 108.136 . . 1 . . . . . 294 GLY N . 27895 1 288 . 1 . 1 52 52 PHE H H 1 8.834 . . 1 . . . . . 295 PHE H . 27895 1 289 . 1 . 1 52 52 PHE HA H 1 5.723 . . 1 . . . . . 295 PHE HA . 27895 1 290 . 1 . 1 52 52 PHE C C 13 177.611 . . 1 . . . . . 295 PHE C . 27895 1 291 . 1 . 1 52 52 PHE CA C 13 56.909 . . 1 . . . . . 295 PHE CA . 27895 1 292 . 1 . 1 52 52 PHE CB C 13 41.417 . . 1 . . . . . 295 PHE CB . 27895 1 293 . 1 . 1 52 52 PHE N N 15 117.99 . . 1 . . . . . 295 PHE N . 27895 1 294 . 1 . 1 53 53 GLY H H 1 9.472 . . 1 . . . . . 296 GLY H . 27895 1 295 . 1 . 1 53 53 GLY HA2 H 1 3.279 . . 2 . . . . . 296 GLY HA2 . 27895 1 296 . 1 . 1 53 53 GLY HA3 H 1 4.462 . . 2 . . . . . 296 GLY HA3 . 27895 1 297 . 1 . 1 53 53 GLY C C 13 173.343 . . 1 . . . . . 296 GLY C . 27895 1 298 . 1 . 1 53 53 GLY CA C 13 46.192 . . 1 . . . . . 296 GLY CA . 27895 1 299 . 1 . 1 53 53 GLY N N 15 107.001 . . 1 . . . . . 296 GLY N . 27895 1 300 . 1 . 1 54 54 ASP H H 1 9.396 . . 1 . . . . . 297 ASP H . 27895 1 301 . 1 . 1 54 54 ASP HA H 1 5.053 . . 1 . . . . . 297 ASP HA . 27895 1 302 . 1 . 1 54 54 ASP C C 13 176.2 . . 1 . . . . . 297 ASP C . 27895 1 303 . 1 . 1 54 54 ASP CA C 13 54.351 . . 1 . . . . . 297 ASP CA . 27895 1 304 . 1 . 1 54 54 ASP CB C 13 43.247 . . 1 . . . . . 297 ASP CB . 27895 1 305 . 1 . 1 54 54 ASP N N 15 125.652 . . 1 . . . . . 297 ASP N . 27895 1 306 . 1 . 1 55 55 PHE H H 1 7.964 . . 1 . . . . . 298 PHE H . 27895 1 307 . 1 . 1 55 55 PHE HA H 1 5.022 . . 1 . . . . . 298 PHE HA . 27895 1 308 . 1 . 1 55 55 PHE C C 13 173.86 . . 1 . . . . . 298 PHE C . 27895 1 309 . 1 . 1 55 55 PHE CA C 13 57.036 . . 1 . . . . . 298 PHE CA . 27895 1 310 . 1 . 1 55 55 PHE CB C 13 39.994 . . 1 . . . . . 298 PHE CB . 27895 1 311 . 1 . 1 55 55 PHE N N 15 121.769 . . 1 . . . . . 298 PHE N . 27895 1 312 . 1 . 1 56 56 SER H H 1 9.829 . . 1 . . . . . 299 SER H . 27895 1 313 . 1 . 1 56 56 SER HA H 1 5.071 . . 1 . . . . . 299 SER HA . 27895 1 314 . 1 . 1 56 56 SER CA C 13 56.029 . . 1 . . . . . 299 SER CA . 27895 1 315 . 1 . 1 56 56 SER CB C 13 64.152 . . 1 . . . . . 299 SER CB . 27895 1 316 . 1 . 1 56 56 SER N N 15 119.518 . . 1 . . . . . 299 SER N . 27895 1 317 . 1 . 1 57 57 PRO HA H 1 4.43 . . 1 . . . . . 300 PRO HA . 27895 1 318 . 1 . 1 57 57 PRO C C 13 179.14 . . 1 . . . . . 300 PRO C . 27895 1 319 . 1 . 1 57 57 PRO CA C 13 66.489 . . 1 . . . . . 300 PRO CA . 27895 1 320 . 1 . 1 58 58 THR H H 1 7.378 . . 1 . . . . . 301 THR H . 27895 1 321 . 1 . 1 58 58 THR HA H 1 4.175 . . 1 . . . . . 301 THR HA . 27895 1 322 . 1 . 1 58 58 THR C C 13 176.093 . . 1 . . . . . 301 THR C . 27895 1 323 . 1 . 1 58 58 THR CA C 13 63.489 . . 1 . . . . . 301 THR CA . 27895 1 324 . 1 . 1 58 58 THR CB C 13 68.438 . . 1 . . . . . 301 THR CB . 27895 1 325 . 1 . 1 58 58 THR N N 15 104.707 . . 1 . . . . . 301 THR N . 27895 1 326 . 1 . 1 59 59 ASP H H 1 8.459 . . 1 . . . . . 302 ASP H . 27895 1 327 . 1 . 1 59 59 ASP HA H 1 5.072 . . 1 . . . . . 302 ASP HA . 27895 1 328 . 1 . 1 59 59 ASP C C 13 176.655 . . 1 . . . . . 302 ASP C . 27895 1 329 . 1 . 1 59 59 ASP CA C 13 56.135 . . 1 . . . . . 302 ASP CA . 27895 1 330 . 1 . 1 59 59 ASP CB C 13 42.637 . . 1 . . . . . 302 ASP CB . 27895 1 331 . 1 . 1 59 59 ASP N N 15 121.485 . . 1 . . . . . 302 ASP N . 27895 1 332 . 1 . 1 60 60 VAL H H 1 7.35 . . 1 . . . . . 303 VAL H . 27895 1 333 . 1 . 1 60 60 VAL HA H 1 4.489 . . 1 . . . . . 303 VAL HA . 27895 1 334 . 1 . 1 60 60 VAL C C 13 175.764 . . 1 . . . . . 303 VAL C . 27895 1 335 . 1 . 1 60 60 VAL CA C 13 61.98 . . 1 . . . . . 303 VAL CA . 27895 1 336 . 1 . 1 60 60 VAL CB C 13 30.233 . . 1 . . . . . 303 VAL CB . 27895 1 337 . 1 . 1 60 60 VAL N N 15 121.551 . . 1 . . . . . 303 VAL N . 27895 1 338 . 1 . 1 61 61 HIS H H 1 9.003 . . 1 . . . . . 304 HIS H . 27895 1 339 . 1 . 1 61 61 HIS C C 13 173.46 . . 1 . . . . . 304 HIS C . 27895 1 340 . 1 . 1 61 61 HIS CA C 13 55.677 . . 1 . . . . . 304 HIS CA . 27895 1 341 . 1 . 1 61 61 HIS CB C 13 32.68 . . 1 . . . . . 304 HIS CB . 27895 1 342 . 1 . 1 61 61 HIS N N 15 131.279 . . 1 . . . . . 304 HIS N . 27895 1 343 . 1 . 1 62 62 ARG H H 1 8.898 . . 1 . . . . . 305 ARG H . 27895 1 344 . 1 . 1 62 62 ARG C C 13 174.905 . . 1 . . . . . 305 ARG C . 27895 1 345 . 1 . 1 62 62 ARG CA C 13 54.809 . . 1 . . . . . 305 ARG CA . 27895 1 346 . 1 . 1 62 62 ARG CB C 13 26.878 . . 1 . . . . . 305 ARG CB . 27895 1 347 . 1 . 1 62 62 ARG N N 15 123.076 . . 1 . . . . . 305 ARG N . 27895 1 348 . 1 . 1 63 63 GLN H H 1 7.431 . . 1 . . . . . 306 GLN H . 27895 1 349 . 1 . 1 63 63 GLN C C 13 174.909 . . 1 . . . . . 306 GLN C . 27895 1 350 . 1 . 1 63 63 GLN CA C 13 59.066 . . 1 . . . . . 306 GLN CA . 27895 1 351 . 1 . 1 63 63 GLN CB C 13 29.306 . . 1 . . . . . 306 GLN CB . 27895 1 352 . 1 . 1 63 63 GLN N N 15 104.76 . . 1 . . . . . 306 GLN N . 27895 1 353 . 1 . 1 64 64 PHE H H 1 7.78 . . 1 . . . . . 307 PHE H . 27895 1 354 . 1 . 1 64 64 PHE HA H 1 5.298 . . 1 . . . . . 307 PHE HA . 27895 1 355 . 1 . 1 64 64 PHE C C 13 175.698 . . 1 . . . . . 307 PHE C . 27895 1 356 . 1 . 1 64 64 PHE CA C 13 59.36 . . 1 . . . . . 307 PHE CA . 27895 1 357 . 1 . 1 64 64 PHE CB C 13 42.841 . . 1 . . . . . 307 PHE CB . 27895 1 358 . 1 . 1 64 64 PHE N N 15 114.889 . . 1 . . . . . 307 PHE N . 27895 1 359 . 1 . 1 65 65 ALA H H 1 7.719 . . 1 . . . . . 308 ALA H . 27895 1 360 . 1 . 1 65 65 ALA HA H 1 5.552 . . 1 . . . . . 308 ALA HA . 27895 1 361 . 1 . 1 65 65 ALA C C 13 176.304 . . 1 . . . . . 308 ALA C . 27895 1 362 . 1 . 1 65 65 ALA CA C 13 51.661 . . 1 . . . . . 308 ALA CA . 27895 1 363 . 1 . 1 65 65 ALA CB C 13 23.522 . . 1 . . . . . 308 ALA CB . 27895 1 364 . 1 . 1 65 65 ALA N N 15 120.534 . . 1 . . . . . 308 ALA N . 27895 1 365 . 1 . 1 66 66 ILE H H 1 9.593 . . 1 . . . . . 309 ILE H . 27895 1 366 . 1 . 1 66 66 ILE HA H 1 4.519 . . 1 . . . . . 309 ILE HA . 27895 1 367 . 1 . 1 66 66 ILE C C 13 174.981 . . 1 . . . . . 309 ILE C . 27895 1 368 . 1 . 1 66 66 ILE CA C 13 61.826 . . 1 . . . . . 309 ILE CA . 27895 1 369 . 1 . 1 66 66 ILE CB C 13 42.739 . . 1 . . . . . 309 ILE CB . 27895 1 370 . 1 . 1 66 66 ILE N N 15 119.901 . . 1 . . . . . 309 ILE N . 27895 1 371 . 1 . 1 67 67 VAL H H 1 7.26 . . 1 . . . . . 310 VAL H . 27895 1 372 . 1 . 1 67 67 VAL HA H 1 4.816 . . 1 . . . . . 310 VAL HA . 27895 1 373 . 1 . 1 67 67 VAL C C 13 175.811 . . 1 . . . . . 310 VAL C . 27895 1 374 . 1 . 1 67 67 VAL CA C 13 61.341 . . 1 . . . . . 310 VAL CA . 27895 1 375 . 1 . 1 67 67 VAL CB C 13 32.247 . . 1 . . . . . 310 VAL CB . 27895 1 376 . 1 . 1 67 67 VAL N N 15 128.44 . . 1 . . . . . 310 VAL N . 27895 1 377 . 1 . 1 68 68 PHE H H 1 8.843 . . 1 . . . . . 311 PHE H . 27895 1 378 . 1 . 1 68 68 PHE HA H 1 3.466 . . 1 . . . . . 311 PHE HA . 27895 1 379 . 1 . 1 68 68 PHE C C 13 172.732 . . 1 . . . . . 311 PHE C . 27895 1 380 . 1 . 1 68 68 PHE CA C 13 54.7 . . 1 . . . . . 311 PHE CA . 27895 1 381 . 1 . 1 68 68 PHE CB C 13 44.162 . . 1 . . . . . 311 PHE CB . 27895 1 382 . 1 . 1 68 68 PHE N N 15 122.278 . . 1 . . . . . 311 PHE N . 27895 1 383 . 1 . 1 69 69 LYS H H 1 9.073 . . 1 . . . . . 312 LYS H . 27895 1 384 . 1 . 1 69 69 LYS HA H 1 5.357 . . 1 . . . . . 312 LYS HA . 27895 1 385 . 1 . 1 69 69 LYS C C 13 179.077 . . 1 . . . . . 312 LYS C . 27895 1 386 . 1 . 1 69 69 LYS CA C 13 53.696 . . 1 . . . . . 312 LYS CA . 27895 1 387 . 1 . 1 69 69 LYS CB C 13 35.825 . . 1 . . . . . 312 LYS CB . 27895 1 388 . 1 . 1 69 69 LYS N N 15 116.601 . . 1 . . . . . 312 LYS N . 27895 1 389 . 1 . 1 70 70 THR H H 1 9.052 . . 1 . . . . . 313 THR H . 27895 1 390 . 1 . 1 70 70 THR HA H 1 5.303 . . 1 . . . . . 313 THR HA . 27895 1 391 . 1 . 1 70 70 THR CA C 13 59.637 . . 1 . . . . . 313 THR CA . 27895 1 392 . 1 . 1 70 70 THR CB C 13 68.361 . . 1 . . . . . 313 THR CB . 27895 1 393 . 1 . 1 70 70 THR N N 15 113.575 . . 1 . . . . . 313 THR N . 27895 1 394 . 1 . 1 71 71 PRO HA H 1 4.882 . . 1 . . . . . 314 PRO HA . 27895 1 395 . 1 . 1 71 71 PRO C C 13 177.738 . . 1 . . . . . 314 PRO C . 27895 1 396 . 1 . 1 71 71 PRO CA C 13 62.17 . . 1 . . . . . 314 PRO CA . 27895 1 397 . 1 . 1 71 71 PRO CB C 13 30.76 . . 1 . . . . . 314 PRO CB . 27895 1 398 . 1 . 1 72 72 LYS H H 1 8.499 . . 1 . . . . . 315 LYS H . 27895 1 399 . 1 . 1 72 72 LYS HA H 1 3.88 . . 1 . . . . . 315 LYS HA . 27895 1 400 . 1 . 1 72 72 LYS C C 13 177.252 . . 1 . . . . . 315 LYS C . 27895 1 401 . 1 . 1 72 72 LYS CA C 13 56.714 . . 1 . . . . . 315 LYS CA . 27895 1 402 . 1 . 1 72 72 LYS CB C 13 32.978 . . 1 . . . . . 315 LYS CB . 27895 1 403 . 1 . 1 72 72 LYS N N 15 122.325 . . 1 . . . . . 315 LYS N . 27895 1 404 . 1 . 1 73 73 TYR H H 1 8.091 . . 1 . . . . . 316 TYR H . 27895 1 405 . 1 . 1 73 73 TYR HA H 1 3.868 . . 1 . . . . . 316 TYR HA . 27895 1 406 . 1 . 1 73 73 TYR C C 13 173.938 . . 1 . . . . . 316 TYR C . 27895 1 407 . 1 . 1 73 73 TYR CA C 13 56.592 . . 1 . . . . . 316 TYR CA . 27895 1 408 . 1 . 1 73 73 TYR CB C 13 37.955 . . 1 . . . . . 316 TYR CB . 27895 1 409 . 1 . 1 73 73 TYR N N 15 123.897 . . 1 . . . . . 316 TYR N . 27895 1 410 . 1 . 1 74 74 LYS H H 1 3.258 . . 1 . . . . . 317 LYS H . 27895 1 411 . 1 . 1 74 74 LYS HA H 1 3.444 . . 1 . . . . . 317 LYS HA . 27895 1 412 . 1 . 1 74 74 LYS CA C 13 57.059 . . 1 . . . . . 317 LYS CA . 27895 1 413 . 1 . 1 74 74 LYS CB C 13 32.027 . . 1 . . . . . 317 LYS CB . 27895 1 414 . 1 . 1 74 74 LYS N N 15 121.944 . . 1 . . . . . 317 LYS N . 27895 1 415 . 1 . 1 75 75 ASP H H 1 5.513 . . 1 . . . . . 318 ASP H . 27895 1 416 . 1 . 1 75 75 ASP C C 13 176.163 . . 1 . . . . . 318 ASP C . 27895 1 417 . 1 . 1 75 75 ASP CA C 13 52.235 . . 1 . . . . . 318 ASP CA . 27895 1 418 . 1 . 1 75 75 ASP CB C 13 42.394 . . 1 . . . . . 318 ASP CB . 27895 1 419 . 1 . 1 75 75 ASP N N 15 117.553 . . 1 . . . . . 318 ASP N . 27895 1 420 . 1 . 1 76 76 VAL H H 1 8.139 . . 1 . . . . . 319 VAL H . 27895 1 421 . 1 . 1 76 76 VAL HA H 1 4.109 . . 1 . . . . . 319 VAL HA . 27895 1 422 . 1 . 1 76 76 VAL C C 13 176.939 . . 1 . . . . . 319 VAL C . 27895 1 423 . 1 . 1 76 76 VAL CA C 13 61.828 . . 1 . . . . . 319 VAL CA . 27895 1 424 . 1 . 1 76 76 VAL CB C 13 30.64 . . 1 . . . . . 319 VAL CB . 27895 1 425 . 1 . 1 76 76 VAL N N 15 115.359 . . 1 . . . . . 319 VAL N . 27895 1 426 . 1 . 1 77 77 ASN H H 1 8.699 . . 1 . . . . . 320 ASN H . 27895 1 427 . 1 . 1 77 77 ASN HA H 1 4.926 . . 1 . . . . . 320 ASN HA . 27895 1 428 . 1 . 1 77 77 ASN C C 13 176.105 . . 1 . . . . . 320 ASN C . 27895 1 429 . 1 . 1 77 77 ASN CA C 13 53.045 . . 1 . . . . . 320 ASN CA . 27895 1 430 . 1 . 1 77 77 ASN CB C 13 38.859 . . 1 . . . . . 320 ASN CB . 27895 1 431 . 1 . 1 77 77 ASN N N 15 119.635 . . 1 . . . . . 320 ASN N . 27895 1 432 . 1 . 1 78 78 ILE H H 1 6.589 . . 1 . . . . . 321 ILE H . 27895 1 433 . 1 . 1 78 78 ILE HA H 1 4.252 . . 1 . . . . . 321 ILE HA . 27895 1 434 . 1 . 1 78 78 ILE C C 13 176.607 . . 1 . . . . . 321 ILE C . 27895 1 435 . 1 . 1 78 78 ILE CA C 13 62.743 . . 1 . . . . . 321 ILE CA . 27895 1 436 . 1 . 1 78 78 ILE CB C 13 38.875 . . 1 . . . . . 321 ILE CB . 27895 1 437 . 1 . 1 78 78 ILE N N 15 112.448 . . 1 . . . . . 321 ILE N . 27895 1 438 . 1 . 1 79 79 THR H H 1 8.585 . . 1 . . . . . 322 THR H . 27895 1 439 . 1 . 1 79 79 THR HA H 1 4.445 . . 1 . . . . . 322 THR HA . 27895 1 440 . 1 . 1 79 79 THR C C 13 174.957 . . 1 . . . . . 322 THR C . 27895 1 441 . 1 . 1 79 79 THR CA C 13 61.316 . . 1 . . . . . 322 THR CA . 27895 1 442 . 1 . 1 79 79 THR CB C 13 69.683 . . 1 . . . . . 322 THR CB . 27895 1 443 . 1 . 1 79 79 THR N N 15 109.063 . . 1 . . . . . 322 THR N . 27895 1 444 . 1 . 1 80 80 LYS H H 1 7.642 . . 1 . . . . . 323 LYS H . 27895 1 445 . 1 . 1 80 80 LYS HA H 1 4.788 . . 1 . . . . . 323 LYS HA . 27895 1 446 . 1 . 1 80 80 LYS CA C 13 53.237 . . 1 . . . . . 323 LYS CA . 27895 1 447 . 1 . 1 80 80 LYS CB C 13 33.385 . . 1 . . . . . 323 LYS CB . 27895 1 448 . 1 . 1 80 80 LYS N N 15 122.009 . . 1 . . . . . 323 LYS N . 27895 1 449 . 1 . 1 81 81 PRO HA H 1 4.615 . . 1 . . . . . 324 PRO HA . 27895 1 450 . 1 . 1 81 81 PRO C C 13 175.764 . . 1 . . . . . 324 PRO C . 27895 1 451 . 1 . 1 81 81 PRO CA C 13 63.714 . . 1 . . . . . 324 PRO CA . 27895 1 452 . 1 . 1 81 81 PRO CB C 13 32.572 . . 1 . . . . . 324 PRO CB . 27895 1 453 . 1 . 1 82 82 ALA H H 1 8.873 . . 1 . . . . . 325 ALA H . 27895 1 454 . 1 . 1 82 82 ALA HA H 1 4.589 . . 1 . . . . . 325 ALA HA . 27895 1 455 . 1 . 1 82 82 ALA C C 13 176.14 . . 1 . . . . . 325 ALA C . 27895 1 456 . 1 . 1 82 82 ALA CA C 13 50.644 . . 1 . . . . . 325 ALA CA . 27895 1 457 . 1 . 1 82 82 ALA CB C 13 21.184 . . 1 . . . . . 325 ALA CB . 27895 1 458 . 1 . 1 82 82 ALA N N 15 126.356 . . 1 . . . . . 325 ALA N . 27895 1 459 . 1 . 1 83 83 SER H H 1 8.49 . . 1 . . . . . 326 SER H . 27895 1 460 . 1 . 1 83 83 SER HA H 1 4.788 . . 1 . . . . . 326 SER HA . 27895 1 461 . 1 . 1 83 83 SER C C 13 175.105 . . 1 . . . . . 326 SER C . 27895 1 462 . 1 . 1 83 83 SER CA C 13 58.222 . . 1 . . . . . 326 SER CA . 27895 1 463 . 1 . 1 83 83 SER CB C 13 63.587 . . 1 . . . . . 326 SER CB . 27895 1 464 . 1 . 1 83 83 SER N N 15 118.847 . . 1 . . . . . 326 SER N . 27895 1 465 . 1 . 1 84 84 VAL H H 1 9.113 . . 1 . . . . . 327 VAL H . 27895 1 466 . 1 . 1 84 84 VAL HA H 1 4.795 . . 1 . . . . . 327 VAL HA . 27895 1 467 . 1 . 1 84 84 VAL C C 13 174.494 . . 1 . . . . . 327 VAL C . 27895 1 468 . 1 . 1 84 84 VAL CA C 13 58.695 . . 1 . . . . . 327 VAL CA . 27895 1 469 . 1 . 1 84 84 VAL CB C 13 33.889 . . 1 . . . . . 327 VAL CB . 27895 1 470 . 1 . 1 84 84 VAL N N 15 121.248 . . 1 . . . . . 327 VAL N . 27895 1 471 . 1 . 1 85 85 PHE H H 1 8.832 . . 1 . . . . . 328 PHE H . 27895 1 472 . 1 . 1 85 85 PHE HA H 1 5.313 . . 1 . . . . . 328 PHE HA . 27895 1 473 . 1 . 1 85 85 PHE C C 13 174.565 . . 1 . . . . . 328 PHE C . 27895 1 474 . 1 . 1 85 85 PHE CA C 13 56.64 . . 1 . . . . . 328 PHE CA . 27895 1 475 . 1 . 1 85 85 PHE CB C 13 43.451 . . 1 . . . . . 328 PHE CB . 27895 1 476 . 1 . 1 85 85 PHE N N 15 118.908 . . 1 . . . . . 328 PHE N . 27895 1 477 . 1 . 1 86 86 VAL H H 1 9.201 . . 1 . . . . . 329 VAL H . 27895 1 478 . 1 . 1 86 86 VAL HA H 1 4.945 . . 1 . . . . . 329 VAL HA . 27895 1 479 . 1 . 1 86 86 VAL C C 13 174.659 . . 1 . . . . . 329 VAL C . 27895 1 480 . 1 . 1 86 86 VAL CA C 13 58.997 . . 1 . . . . . 329 VAL CA . 27895 1 481 . 1 . 1 86 86 VAL CB C 13 34.503 . . 1 . . . . . 329 VAL CB . 27895 1 482 . 1 . 1 86 86 VAL N N 15 117.71 . . 1 . . . . . 329 VAL N . 27895 1 483 . 1 . 1 87 87 GLN H H 1 9.006 . . 1 . . . . . 330 GLN H . 27895 1 484 . 1 . 1 87 87 GLN HA H 1 4.643 . . 1 . . . . . 330 GLN HA . 27895 1 485 . 1 . 1 87 87 GLN C C 13 176.447 . . 1 . . . . . 330 GLN C . 27895 1 486 . 1 . 1 87 87 GLN CA C 13 53.44 . . 1 . . . . . 330 GLN CA . 27895 1 487 . 1 . 1 87 87 GLN CB C 13 31.961 . . 1 . . . . . 330 GLN CB . 27895 1 488 . 1 . 1 87 87 GLN N N 15 120.507 . . 1 . . . . . 330 GLN N . 27895 1 489 . 1 . 1 88 88 LEU H H 1 8.122 . . 1 . . . . . 331 LEU H . 27895 1 490 . 1 . 1 88 88 LEU C C 13 174.901 . . 1 . . . . . 331 LEU C . 27895 1 491 . 1 . 1 88 88 LEU CA C 13 53.511 . . 1 . . . . . 331 LEU CA . 27895 1 492 . 1 . 1 88 88 LEU CB C 13 44.504 . . 1 . . . . . 331 LEU CB . 27895 1 493 . 1 . 1 88 88 LEU N N 15 120.632 . . 1 . . . . . 331 LEU N . 27895 1 494 . 1 . 1 89 89 ARG H H 1 8.629 . . 1 . . . . . 332 ARG H . 27895 1 495 . 1 . 1 89 89 ARG HA H 1 5.237 . . 1 . . . . . 332 ARG HA . 27895 1 496 . 1 . 1 89 89 ARG C C 13 175.035 . . 1 . . . . . 332 ARG C . 27895 1 497 . 1 . 1 89 89 ARG CA C 13 54.947 . . 1 . . . . . 332 ARG CA . 27895 1 498 . 1 . 1 89 89 ARG CB C 13 35.723 . . 1 . . . . . 332 ARG CB . 27895 1 499 . 1 . 1 89 89 ARG N N 15 120.384 . . 1 . . . . . 332 ARG N . 27895 1 500 . 1 . 1 90 90 ARG H H 1 8.745 . . 1 . . . . . 333 ARG H . 27895 1 501 . 1 . 1 90 90 ARG HA H 1 4.628 . . 1 . . . . . 333 ARG HA . 27895 1 502 . 1 . 1 90 90 ARG C C 13 177.563 . . 1 . . . . . 333 ARG C . 27895 1 503 . 1 . 1 90 90 ARG CA C 13 56.164 . . 1 . . . . . 333 ARG CA . 27895 1 504 . 1 . 1 90 90 ARG CB C 13 32.47 . . 1 . . . . . 333 ARG CB . 27895 1 505 . 1 . 1 90 90 ARG N N 15 127.738 . . 1 . . . . . 333 ARG N . 27895 1 506 . 1 . 1 91 91 LYS H H 1 7.213 . . 1 . . . . . 334 LYS H . 27895 1 507 . 1 . 1 91 91 LYS HA H 1 3.768 . . 1 . . . . . 334 LYS HA . 27895 1 508 . 1 . 1 91 91 LYS C C 13 179.665 . . 1 . . . . . 334 LYS C . 27895 1 509 . 1 . 1 91 91 LYS CA C 13 59.591 . . 1 . . . . . 334 LYS CA . 27895 1 510 . 1 . 1 91 91 LYS CB C 13 32.368 . . 1 . . . . . 334 LYS CB . 27895 1 511 . 1 . 1 91 91 LYS N N 15 125.054 . . 1 . . . . . 334 LYS N . 27895 1 512 . 1 . 1 92 92 SER H H 1 9.948 . . 1 . . . . . 335 SER H . 27895 1 513 . 1 . 1 92 92 SER HA H 1 3.869 . . 1 . . . . . 335 SER HA . 27895 1 514 . 1 . 1 92 92 SER C C 13 177.563 . . 1 . . . . . 335 SER C . 27895 1 515 . 1 . 1 92 92 SER CA C 13 60.465 . . 1 . . . . . 335 SER CA . 27895 1 516 . 1 . 1 92 92 SER CB C 13 61.345 . . 1 . . . . . 335 SER CB . 27895 1 517 . 1 . 1 92 92 SER N N 15 115.01 . . 1 . . . . . 335 SER N . 27895 1 518 . 1 . 1 93 93 ASP H H 1 7.193 . . 1 . . . . . 336 ASP H . 27895 1 519 . 1 . 1 93 93 ASP HA H 1 4.672 . . 1 . . . . . 336 ASP HA . 27895 1 520 . 1 . 1 93 93 ASP C C 13 177.109 . . 1 . . . . . 336 ASP C . 27895 1 521 . 1 . 1 93 93 ASP CA C 13 52.207 . . 1 . . . . . 336 ASP CA . 27895 1 522 . 1 . 1 93 93 ASP CB C 13 41.519 . . 1 . . . . . 336 ASP CB . 27895 1 523 . 1 . 1 93 93 ASP N N 15 116.771 . . 1 . . . . . 336 ASP N . 27895 1 524 . 1 . 1 94 94 LEU H H 1 7.589 . . 1 . . . . . 337 LEU H . 27895 1 525 . 1 . 1 94 94 LEU HA H 1 4.095 . . 1 . . . . . 337 LEU HA . 27895 1 526 . 1 . 1 94 94 LEU C C 13 176.726 . . 1 . . . . . 337 LEU C . 27895 1 527 . 1 . 1 94 94 LEU CA C 13 56.244 . . 1 . . . . . 337 LEU CA . 27895 1 528 . 1 . 1 94 94 LEU CB C 13 38.469 . . 1 . . . . . 337 LEU CB . 27895 1 529 . 1 . 1 94 94 LEU N N 15 114.951 . . 1 . . . . . 337 LEU N . 27895 1 530 . 1 . 1 95 95 GLU H H 1 7.753 . . 1 . . . . . 338 GLU H . 27895 1 531 . 1 . 1 95 95 GLU HA H 1 4.159 . . 1 . . . . . 338 GLU HA . 27895 1 532 . 1 . 1 95 95 GLU C C 13 176.822 . . 1 . . . . . 338 GLU C . 27895 1 533 . 1 . 1 95 95 GLU CA C 13 57.6 . . 1 . . . . . 338 GLU CA . 27895 1 534 . 1 . 1 95 95 GLU CB C 13 30.03 . . 1 . . . . . 338 GLU CB . 27895 1 535 . 1 . 1 95 95 GLU N N 15 120.423 . . 1 . . . . . 338 GLU N . 27895 1 536 . 1 . 1 96 96 THR H H 1 8.186 . . 1 . . . . . 339 THR H . 27895 1 537 . 1 . 1 96 96 THR HA H 1 5.444 . . 1 . . . . . 339 THR HA . 27895 1 538 . 1 . 1 96 96 THR C C 13 177.409 . . 1 . . . . . 339 THR C . 27895 1 539 . 1 . 1 96 96 THR CA C 13 59.12 . . 1 . . . . . 339 THR CA . 27895 1 540 . 1 . 1 96 96 THR CB C 13 72.835 . . 1 . . . . . 339 THR CB . 27895 1 541 . 1 . 1 96 96 THR N N 15 109.282 . . 1 . . . . . 339 THR N . 27895 1 542 . 1 . 1 97 97 SER H H 1 8.371 . . 1 . . . . . 340 SER H . 27895 1 543 . 1 . 1 97 97 SER HA H 1 4.478 . . 1 . . . . . 340 SER HA . 27895 1 544 . 1 . 1 97 97 SER C C 13 175.411 . . 1 . . . . . 340 SER C . 27895 1 545 . 1 . 1 97 97 SER CA C 13 57.401 . . 1 . . . . . 340 SER CA . 27895 1 546 . 1 . 1 97 97 SER CB C 13 67.061 . . 1 . . . . . 340 SER CB . 27895 1 547 . 1 . 1 97 97 SER N N 15 114.192 . . 1 . . . . . 340 SER N . 27895 1 548 . 1 . 1 98 98 GLU H H 1 8.93 . . 1 . . . . . 341 GLU H . 27895 1 549 . 1 . 1 98 98 GLU CA C 13 55.668 . . 1 . . . . . 341 GLU CA . 27895 1 550 . 1 . 1 98 98 GLU CB C 13 29.662 . . 1 . . . . . 341 GLU CB . 27895 1 551 . 1 . 1 98 98 GLU N N 15 122.15 . . 1 . . . . . 341 GLU N . 27895 1 552 . 1 . 1 99 99 PRO HA H 1 4.416 . . 1 . . . . . 342 PRO HA . 27895 1 553 . 1 . 1 99 99 PRO C C 13 176.492 . . 1 . . . . . 342 PRO C . 27895 1 554 . 1 . 1 99 99 PRO CA C 13 62.625 . . 1 . . . . . 342 PRO CA . 27895 1 555 . 1 . 1 99 99 PRO CB C 13 32.368 . . 1 . . . . . 342 PRO CB . 27895 1 556 . 1 . 1 100 100 LYS H H 1 8.262 . . 1 . . . . . 343 LYS H . 27895 1 557 . 1 . 1 100 100 LYS HA H 1 3.952 . . 1 . . . . . 343 LYS HA . 27895 1 558 . 1 . 1 100 100 LYS CA C 13 59.449 . . 1 . . . . . 343 LYS CA . 27895 1 559 . 1 . 1 100 100 LYS CB C 13 30.94 . . 1 . . . . . 343 LYS CB . 27895 1 560 . 1 . 1 100 100 LYS N N 15 125.567 . . 1 . . . . . 343 LYS N . 27895 1 561 . 1 . 1 101 101 PRO HA H 1 4.7 . . 1 . . . . . 344 PRO HA . 27895 1 562 . 1 . 1 101 101 PRO C C 13 176.187 . . 1 . . . . . 344 PRO C . 27895 1 563 . 1 . 1 101 101 PRO CA C 13 63.114 . . 1 . . . . . 344 PRO CA . 27895 1 564 . 1 . 1 101 101 PRO CB C 13 32.62 . . 1 . . . . . 344 PRO CB . 27895 1 565 . 1 . 1 102 102 PHE H H 1 8.269 . . 1 . . . . . 345 PHE H . 27895 1 566 . 1 . 1 102 102 PHE HA H 1 4.455 . . 1 . . . . . 345 PHE HA . 27895 1 567 . 1 . 1 102 102 PHE C C 13 173.02 . . 1 . . . . . 345 PHE C . 27895 1 568 . 1 . 1 102 102 PHE CA C 13 57.063 . . 1 . . . . . 345 PHE CA . 27895 1 569 . 1 . 1 102 102 PHE CB C 13 43.247 . . 1 . . . . . 345 PHE CB . 27895 1 570 . 1 . 1 102 102 PHE N N 15 122.252 . . 1 . . . . . 345 PHE N . 27895 1 571 . 1 . 1 103 103 LEU H H 1 7.179 . . 1 . . . . . 346 LEU H . 27895 1 572 . 1 . 1 103 103 LEU HA H 1 4.608 . . 1 . . . . . 346 LEU HA . 27895 1 573 . 1 . 1 103 103 LEU C C 13 175.011 . . 1 . . . . . 346 LEU C . 27895 1 574 . 1 . 1 103 103 LEU CA C 13 53.329 . . 1 . . . . . 346 LEU CA . 27895 1 575 . 1 . 1 103 103 LEU CB C 13 45.281 . . 1 . . . . . 346 LEU CB . 27895 1 576 . 1 . 1 103 103 LEU N N 15 129.262 . . 1 . . . . . 346 LEU N . 27895 1 577 . 1 . 1 104 104 TYR H H 1 8.818 . . 1 . . . . . 347 TYR H . 27895 1 578 . 1 . 1 104 104 TYR HA H 1 3.853 . . 1 . . . . . 347 TYR HA . 27895 1 579 . 1 . 1 104 104 TYR C C 13 177.103 . . 1 . . . . . 347 TYR C . 27895 1 580 . 1 . 1 104 104 TYR CA C 13 56.798 . . 1 . . . . . 347 TYR CA . 27895 1 581 . 1 . 1 104 104 TYR CB C 13 40.705 . . 1 . . . . . 347 TYR CB . 27895 1 582 . 1 . 1 104 104 TYR N N 15 123.617 . . 1 . . . . . 347 TYR N . 27895 1 583 . 1 . 1 105 105 TYR H H 1 8.54 . . 1 . . . . . 348 TYR H . 27895 1 584 . 1 . 1 105 105 TYR HA H 1 4.98 . . 1 . . . . . 348 TYR HA . 27895 1 585 . 1 . 1 105 105 TYR CA C 13 53.395 . . 1 . . . . . 348 TYR CA . 27895 1 586 . 1 . 1 105 105 TYR CB C 13 38.957 . . 1 . . . . . 348 TYR CB . 27895 1 587 . 1 . 1 105 105 TYR N N 15 117.83 . . 1 . . . . . 348 TYR N . 27895 1 588 . 1 . 1 106 106 PRO HA H 1 5.164 . . 1 . . . . . 349 PRO HA . 27895 1 589 . 1 . 1 106 106 PRO C C 13 177.644 . . 1 . . . . . 349 PRO C . 27895 1 590 . 1 . 1 106 106 PRO CA C 13 62.43 . . 1 . . . . . 349 PRO CA . 27895 1 591 . 1 . 1 106 106 PRO CB C 13 33.631 . . 1 . . . . . 349 PRO CB . 27895 1 592 . 1 . 1 107 107 GLU H H 1 9.33 . . 1 . . . . . 350 GLU H . 27895 1 593 . 1 . 1 107 107 GLU HA H 1 5.094 . . 1 . . . . . 350 GLU HA . 27895 1 594 . 1 . 1 107 107 GLU CA C 13 51.778 . . 1 . . . . . 350 GLU CA . 27895 1 595 . 1 . 1 107 107 GLU CB C 13 33.893 . . 1 . . . . . 350 GLU CB . 27895 1 596 . 1 . 1 107 107 GLU N N 15 120.299 . . 1 . . . . . 350 GLU N . 27895 1 stop_ save_