data_19499 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19499 _Entry.Title ; HuR RRM3 W261E mutant ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2013-09-16 _Entry.Accession_date 2013-09-16 _Entry.Last_release_date 2015-02-05 _Entry.Original_release_date 2015-02-05 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details 'HUMAN HUR PROTEIN RRM3 AND DOMAIN MUTANTS S318D AND W261E' _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.Entry_ID 1 Francisco Blanco . . Sr. 19499 2 Rafael Scheiba . . Sr. 19499 3 Alain 'Ibanez de Opakua' . . . 19499 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'CIC bioGUNE: Center for Cooperative Research in Biosciences' . 19499 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19499 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 297 19499 '15N chemical shifts' 118 19499 '1H chemical shifts' 246 19499 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2015-02-05 2013-09-16 original author . 19499 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 19494 'HuR RRM3 WT' 19499 BMRB 19500 'HuR RRM3 S318D mutant' 19499 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 19499 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 25584704 _Citation.Full_citation . _Citation.Title 'The C-terminal RNA binding motif of HuR is a multi-functional domain leading to HuR oligomerization and binding to U-rich RNA targets' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'RNA Biol.' _Citation.Journal_name_full . _Citation.Journal_volume 11 _Citation.Journal_issue 10 _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 1250 _Citation.Page_last 1261 _Citation.Year 2014 _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.Entry_ID _Citation_author.Citation_ID 1 Rafael Scheiba . M. . 19499 1 2 Alain 'Ibanez de Opakua' . . . 19499 1 3 Antonio Diaz-Quintana . . . 19499 1 4 Isabel Cruz-Gallardo . . . 19499 1 5 Luis Martinez-Cruz . A. . 19499 1 6 Maria Martinez-Chantar . L. . 19499 1 7 Francisco Blanco . J. . 19499 1 8 Irene Diaz-Moreno . . . 19499 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 19499 _Assembly.ID 1 _Assembly.Name 'HUR RRM3' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 14063 _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 'HUR RRM3 W261E mutant' 1 $HUR_RRM3_W261E_mutant A . yes native no no . . . 19499 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_HUR_RRM3_W261E_mutant _Entity.Sf_category entity _Entity.Sf_framecode HUR_RRM3_W261E_mutant _Entity.Entry_ID 19499 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name HUR_RRM3_W261E_mutant _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 ; MKHHHHHHPMSDYDIPTTEI SGRENLYFQSGSEFPAETPS GWCIFIYNLGQDADEGILEQ MFGPFGAVTNVKVIRDFNTN KCKGFGFVTMTNYEEAAMAI ASLNGYRLGDKILQVSFKTN KSHK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'Residues 1-41 represent a non-native linker with an affinity tag' _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 124 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment 'HuR RRM3 W261E mutant' _Entity.Mutation W261E _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 2015-11-25 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 no BMRB 19494 . HUR_RRM3_polypeptide . . . . . 100.00 124 99.19 99.19 1.23e-86 . . . . 19499 1 2 no BMRB 19500 . HUR_RRM3_S318D_mutant . . . . . 100.00 124 98.39 98.39 7.22e-86 . . . . 19499 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 1 MET . 19499 1 2 2 LYS . 19499 1 3 3 HIS . 19499 1 4 4 HIS . 19499 1 5 5 HIS . 19499 1 6 6 HIS . 19499 1 7 7 HIS . 19499 1 8 8 HIS . 19499 1 9 9 PRO . 19499 1 10 10 MET . 19499 1 11 11 SER . 19499 1 12 12 ASP . 19499 1 13 13 TYR . 19499 1 14 14 ASP . 19499 1 15 15 ILE . 19499 1 16 16 PRO . 19499 1 17 17 THR . 19499 1 18 18 THR . 19499 1 19 19 GLU . 19499 1 20 20 ILE . 19499 1 21 21 SER . 19499 1 22 22 GLY . 19499 1 23 23 ARG . 19499 1 24 24 GLU . 19499 1 25 25 ASN . 19499 1 26 26 LEU . 19499 1 27 27 TYR . 19499 1 28 28 PHE . 19499 1 29 29 GLN . 19499 1 30 30 SER . 19499 1 31 31 GLY . 19499 1 32 32 SER . 19499 1 33 33 GLU . 19499 1 34 34 PHE . 19499 1 35 35 PRO . 19499 1 36 36 ALA . 19499 1 37 37 GLU . 19499 1 38 38 THR . 19499 1 39 39 PRO . 19499 1 40 40 SER . 19499 1 41 41 GLY . 19499 1 42 244 TRP . 19499 1 43 245 CYS . 19499 1 44 246 ILE . 19499 1 45 247 PHE . 19499 1 46 248 ILE . 19499 1 47 249 TYR . 19499 1 48 250 ASN . 19499 1 49 251 LEU . 19499 1 50 252 GLY . 19499 1 51 253 GLN . 19499 1 52 254 ASP . 19499 1 53 255 ALA . 19499 1 54 256 ASP . 19499 1 55 257 GLU . 19499 1 56 258 GLY . 19499 1 57 259 ILE . 19499 1 58 260 LEU . 19499 1 59 261 GLU . 19499 1 60 262 GLN . 19499 1 61 263 MET . 19499 1 62 264 PHE . 19499 1 63 265 GLY . 19499 1 64 266 PRO . 19499 1 65 267 PHE . 19499 1 66 268 GLY . 19499 1 67 269 ALA . 19499 1 68 270 VAL . 19499 1 69 271 THR . 19499 1 70 272 ASN . 19499 1 71 273 VAL . 19499 1 72 274 LYS . 19499 1 73 275 VAL . 19499 1 74 276 ILE . 19499 1 75 277 ARG . 19499 1 76 278 ASP . 19499 1 77 279 PHE . 19499 1 78 280 ASN . 19499 1 79 281 THR . 19499 1 80 282 ASN . 19499 1 81 283 LYS . 19499 1 82 284 CYS . 19499 1 83 285 LYS . 19499 1 84 286 GLY . 19499 1 85 287 PHE . 19499 1 86 288 GLY . 19499 1 87 289 PHE . 19499 1 88 290 VAL . 19499 1 89 291 THR . 19499 1 90 292 MET . 19499 1 91 293 THR . 19499 1 92 294 ASN . 19499 1 93 295 TYR . 19499 1 94 296 GLU . 19499 1 95 297 GLU . 19499 1 96 298 ALA . 19499 1 97 299 ALA . 19499 1 98 300 MET . 19499 1 99 301 ALA . 19499 1 100 302 ILE . 19499 1 101 303 ALA . 19499 1 102 304 SER . 19499 1 103 305 LEU . 19499 1 104 306 ASN . 19499 1 105 307 GLY . 19499 1 106 308 TYR . 19499 1 107 309 ARG . 19499 1 108 310 LEU . 19499 1 109 311 GLY . 19499 1 110 312 ASP . 19499 1 111 313 LYS . 19499 1 112 314 ILE . 19499 1 113 315 LEU . 19499 1 114 316 GLN . 19499 1 115 317 VAL . 19499 1 116 318 SER . 19499 1 117 319 PHE . 19499 1 118 320 LYS . 19499 1 119 321 THR . 19499 1 120 322 ASN . 19499 1 121 323 LYS . 19499 1 122 324 SER . 19499 1 123 325 HIS . 19499 1 124 326 LYS . 19499 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 19499 1 . LYS 2 2 19499 1 . HIS 3 3 19499 1 . HIS 4 4 19499 1 . HIS 5 5 19499 1 . HIS 6 6 19499 1 . HIS 7 7 19499 1 . HIS 8 8 19499 1 . PRO 9 9 19499 1 . MET 10 10 19499 1 . SER 11 11 19499 1 . ASP 12 12 19499 1 . TYR 13 13 19499 1 . ASP 14 14 19499 1 . ILE 15 15 19499 1 . PRO 16 16 19499 1 . THR 17 17 19499 1 . THR 18 18 19499 1 . GLU 19 19 19499 1 . ILE 20 20 19499 1 . SER 21 21 19499 1 . GLY 22 22 19499 1 . ARG 23 23 19499 1 . GLU 24 24 19499 1 . ASN 25 25 19499 1 . LEU 26 26 19499 1 . TYR 27 27 19499 1 . PHE 28 28 19499 1 . GLN 29 29 19499 1 . SER 30 30 19499 1 . GLY 31 31 19499 1 . SER 32 32 19499 1 . GLU 33 33 19499 1 . PHE 34 34 19499 1 . PRO 35 35 19499 1 . ALA 36 36 19499 1 . GLU 37 37 19499 1 . THR 38 38 19499 1 . PRO 39 39 19499 1 . SER 40 40 19499 1 . GLY 41 41 19499 1 . TRP 42 42 19499 1 . CYS 43 43 19499 1 . ILE 44 44 19499 1 . PHE 45 45 19499 1 . ILE 46 46 19499 1 . TYR 47 47 19499 1 . ASN 48 48 19499 1 . LEU 49 49 19499 1 . GLY 50 50 19499 1 . GLN 51 51 19499 1 . ASP 52 52 19499 1 . ALA 53 53 19499 1 . ASP 54 54 19499 1 . GLU 55 55 19499 1 . GLY 56 56 19499 1 . ILE 57 57 19499 1 . LEU 58 58 19499 1 . GLU 59 59 19499 1 . GLN 60 60 19499 1 . MET 61 61 19499 1 . PHE 62 62 19499 1 . GLY 63 63 19499 1 . PRO 64 64 19499 1 . PHE 65 65 19499 1 . GLY 66 66 19499 1 . ALA 67 67 19499 1 . VAL 68 68 19499 1 . THR 69 69 19499 1 . ASN 70 70 19499 1 . VAL 71 71 19499 1 . LYS 72 72 19499 1 . VAL 73 73 19499 1 . ILE 74 74 19499 1 . ARG 75 75 19499 1 . ASP 76 76 19499 1 . PHE 77 77 19499 1 . ASN 78 78 19499 1 . THR 79 79 19499 1 . ASN 80 80 19499 1 . LYS 81 81 19499 1 . CYS 82 82 19499 1 . LYS 83 83 19499 1 . GLY 84 84 19499 1 . PHE 85 85 19499 1 . GLY 86 86 19499 1 . PHE 87 87 19499 1 . VAL 88 88 19499 1 . THR 89 89 19499 1 . MET 90 90 19499 1 . THR 91 91 19499 1 . ASN 92 92 19499 1 . TYR 93 93 19499 1 . GLU 94 94 19499 1 . GLU 95 95 19499 1 . ALA 96 96 19499 1 . ALA 97 97 19499 1 . MET 98 98 19499 1 . ALA 99 99 19499 1 . ILE 100 100 19499 1 . ALA 101 101 19499 1 . SER 102 102 19499 1 . LEU 103 103 19499 1 . ASN 104 104 19499 1 . GLY 105 105 19499 1 . TYR 106 106 19499 1 . ARG 107 107 19499 1 . LEU 108 108 19499 1 . GLY 109 109 19499 1 . ASP 110 110 19499 1 . LYS 111 111 19499 1 . ILE 112 112 19499 1 . LEU 113 113 19499 1 . GLN 114 114 19499 1 . VAL 115 115 19499 1 . SER 116 116 19499 1 . PHE 117 117 19499 1 . LYS 118 118 19499 1 . THR 119 119 19499 1 . ASN 120 120 19499 1 . LYS 121 121 19499 1 . SER 122 122 19499 1 . HIS 123 123 19499 1 . LYS 124 124 19499 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 19499 _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.Subvariant _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.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $HUR_RRM3_W261E_mutant . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 19499 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 19499 _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_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _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.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $HUR_RRM3_W261E_mutant . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21 DE3 . . . . . . . . . . . . . . 'pET M11' . . . . . . 19499 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 19499 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 'HUR RRM3 W261E mutant' '[U-99% 13C; U-99% 15N]' . . 1 $HUR_RRM3_W261E_mutant . . 80 . . uM . . . . 19499 1 2 DTT 'natural abundance' . . . . . . 3 . . mM . . . . 19499 1 3 D2O 'natural abundance' . . . . . . 5 . . % . . . . 19499 1 4 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 19499 1 5 DSS 'natural abundance' . . . . . . 30 . . uM . . . . 19499 1 6 'sodium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 19499 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 19499 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 7.3 . pH 19499 1 pressure 1 . atm 19499 1 temperature 298 . K 19499 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 19499 _Software.ID 1 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 19499 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 19499 1 processing 19499 1 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 19499 _Software.ID 2 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 19499 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 19499 2 'peak picking' 19499 2 stop_ save_ save_MARS _Software.Sf_category software _Software.Sf_framecode MARS _Software.Entry_ID 19499 _Software.ID 3 _Software.Name MARS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID '(MARS) Zweckstetter' . . 19499 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 19499 3 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 19499 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 19499 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 800 . . . 19499 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 19499 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19499 1 2 '2D 1H-13C HSQC' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19499 1 3 '3D HNCO' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19499 1 4 '3D HNCA' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19499 1 5 '3D HN(CO)CACB' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19499 1 6 '3D HN(COCA)HA' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19499 1 7 '3D HN(CA)HA' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19499 1 8 '3D HN(CO)CA' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19499 1 9 '3D HN(CA)CO' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19499 1 10 '3D HNCACB' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19499 1 stop_ save_ save_NMR_spectrometer_expt _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt _NMR_spec_expt.Entry_ID 19499 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name . _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . 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 19499 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 19499 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 19499 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 19499 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 19499 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 19499 1 2 '2D 1H-13C HSQC' . . . 19499 1 3 '3D HNCO' . . . 19499 1 4 '3D HNCA' . . . 19499 1 5 '3D HN(CO)CACB' . . . 19499 1 6 '3D HN(COCA)HA' . . . 19499 1 7 '3D HN(CA)HA' . . . 19499 1 8 '3D HN(CO)CA' . . . 19499 1 9 '3D HN(CA)CO' . . . 19499 1 10 '3D HNCACB' . . . 19499 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET HA H 1 4.041 0.01 . 1 . . . . 1 MET HA . 19499 1 2 . 1 1 2 2 LYS H H 1 8.148 0.01 . 1 . . . . 2 LYS H . 19499 1 3 . 1 1 2 2 LYS CA C 13 55.577 0.1 . 1 . . . . 2 LYS CA . 19499 1 4 . 1 1 2 2 LYS N N 15 119.97 0.05 . 1 . . . . 2 LYS N . 19499 1 5 . 1 1 9 9 PRO C C 13 177.049 0.05 . 1 . . . . 9 PRO C . 19499 1 6 . 1 1 9 9 PRO CA C 13 63.479 0.1 . 1 . . . . 9 PRO CA . 19499 1 7 . 1 1 9 9 PRO CB C 13 32.068 0.1 . 1 . . . . 9 PRO CB . 19499 1 8 . 1 1 10 10 MET H H 1 8.744 0.01 . 1 . . . . 10 MET H . 19499 1 9 . 1 1 10 10 MET HA H 1 4.497 0.01 . 1 . . . . 10 MET HA . 19499 1 10 . 1 1 10 10 MET C C 13 176.399 0.05 . 1 . . . . 10 MET C . 19499 1 11 . 1 1 10 10 MET CA C 13 55.574 0.1 . 1 . . . . 10 MET CA . 19499 1 12 . 1 1 10 10 MET CB C 13 32.954 0.1 . 1 . . . . 10 MET CB . 19499 1 13 . 1 1 10 10 MET N N 15 120.177 0.05 . 1 . . . . 10 MET N . 19499 1 14 . 1 1 11 11 SER H H 1 8.258 0.01 . 1 . . . . 11 SER H . 19499 1 15 . 1 1 11 11 SER HA H 1 4.409 0.01 . 1 . . . . 11 SER HA . 19499 1 16 . 1 1 11 11 SER C C 13 174.332 0.05 . 1 . . . . 11 SER C . 19499 1 17 . 1 1 11 11 SER CA C 13 58.454 0.1 . 1 . . . . 11 SER CA . 19499 1 18 . 1 1 11 11 SER CB C 13 63.745 0.1 . 1 . . . . 11 SER CB . 19499 1 19 . 1 1 11 11 SER N N 15 116.191 0.05 . 1 . . . . 11 SER N . 19499 1 20 . 1 1 12 12 ASP H H 1 8.312 0.01 . 1 . . . . 12 ASP H . 19499 1 21 . 1 1 12 12 ASP HA H 1 4.516 0.01 . 1 . . . . 12 ASP HA . 19499 1 22 . 1 1 12 12 ASP C C 13 175.853 0.05 . 1 . . . . 12 ASP C . 19499 1 23 . 1 1 12 12 ASP CA C 13 54.825 0.1 . 1 . . . . 12 ASP CA . 19499 1 24 . 1 1 12 12 ASP CB C 13 40.85 0.1 . 1 . . . . 12 ASP CB . 19499 1 25 . 1 1 12 12 ASP N N 15 121.772 0.05 . 1 . . . . 12 ASP N . 19499 1 26 . 1 1 13 13 TYR H H 1 7.881 0.01 . 1 . . . . 13 TYR H . 19499 1 27 . 1 1 13 13 TYR HA H 1 4.514 0.01 . 1 . . . . 13 TYR HA . 19499 1 28 . 1 1 13 13 TYR C C 13 175.241 0.05 . 1 . . . . 13 TYR C . 19499 1 29 . 1 1 13 13 TYR CA C 13 57.63 0.1 . 1 . . . . 13 TYR CA . 19499 1 30 . 1 1 13 13 TYR CB C 13 38.761 0.1 . 1 . . . . 13 TYR CB . 19499 1 31 . 1 1 13 13 TYR N N 15 118.759 0.05 . 1 . . . . 13 TYR N . 19499 1 32 . 1 1 14 14 ASP H H 1 8.11 0.01 . 1 . . . . 14 ASP H . 19499 1 33 . 1 1 14 14 ASP HA H 1 4.591 0.01 . 1 . . . . 14 ASP HA . 19499 1 34 . 1 1 14 14 ASP C C 13 175.403 0.05 . 1 . . . . 14 ASP C . 19499 1 35 . 1 1 14 14 ASP CA C 13 54.194 0.1 . 1 . . . . 14 ASP CA . 19499 1 36 . 1 1 14 14 ASP CB C 13 41.302 0.1 . 1 . . . . 14 ASP CB . 19499 1 37 . 1 1 14 14 ASP N N 15 121.553 0.05 . 1 . . . . 14 ASP N . 19499 1 38 . 1 1 15 15 ILE H H 1 7.899 0.01 . 1 . . . . 15 ILE H . 19499 1 39 . 1 1 15 15 ILE C C 13 174.539 0.05 . 1 . . . . 15 ILE C . 19499 1 40 . 1 1 15 15 ILE CA C 13 58.829 0.1 . 1 . . . . 15 ILE CA . 19499 1 41 . 1 1 15 15 ILE N N 15 122.202 0.05 . 1 . . . . 15 ILE N . 19499 1 42 . 1 1 16 16 PRO HA H 1 4.486 0.01 . 1 . . . . 16 PRO HA . 19499 1 43 . 1 1 16 16 PRO C C 13 177.202 0.05 . 1 . . . . 16 PRO C . 19499 1 44 . 1 1 16 16 PRO CA C 13 63.237 0.1 . 1 . . . . 16 PRO CA . 19499 1 45 . 1 1 16 16 PRO CB C 13 32.154 0.1 . 1 . . . . 16 PRO CB . 19499 1 46 . 1 1 17 17 THR H H 1 8.278 0.01 . 1 . . . . 17 THR H . 19499 1 47 . 1 1 17 17 THR HA H 1 4.346 0.01 . 1 . . . . 17 THR HA . 19499 1 48 . 1 1 17 17 THR C C 13 174.948 0.05 . 1 . . . . 17 THR C . 19499 1 49 . 1 1 17 17 THR CA C 13 62.138 0.1 . 1 . . . . 17 THR CA . 19499 1 50 . 1 1 17 17 THR CB C 13 69.513 0.1 . 1 . . . . 17 THR CB . 19499 1 51 . 1 1 17 17 THR N N 15 114.573 0.05 . 1 . . . . 17 THR N . 19499 1 52 . 1 1 18 18 THR H H 1 8.044 0.01 . 1 . . . . 18 THR H . 19499 1 53 . 1 1 18 18 THR HA H 1 4.319 0.01 . 1 . . . . 18 THR HA . 19499 1 54 . 1 1 18 18 THR C C 13 174.664 0.05 . 1 . . . . 18 THR C . 19499 1 55 . 1 1 18 18 THR CA C 13 62.074 0.1 . 1 . . . . 18 THR CA . 19499 1 56 . 1 1 18 18 THR CB C 13 69.672 0.1 . 1 . . . . 18 THR CB . 19499 1 57 . 1 1 18 18 THR N N 15 115.139 0.05 . 1 . . . . 18 THR N . 19499 1 58 . 1 1 19 19 GLU H H 1 8.367 0.01 . 1 . . . . 19 GLU H . 19499 1 59 . 1 1 19 19 GLU HA H 1 4.308 0.01 . 1 . . . . 19 GLU HA . 19499 1 60 . 1 1 19 19 GLU C C 13 176.5 0.05 . 1 . . . . 19 GLU C . 19499 1 61 . 1 1 19 19 GLU CA C 13 56.726 0.1 . 1 . . . . 19 GLU CA . 19499 1 62 . 1 1 19 19 GLU CB C 13 30.263 0.1 . 1 . . . . 19 GLU CB . 19499 1 63 . 1 1 19 19 GLU N N 15 123.057 0.05 . 1 . . . . 19 GLU N . 19499 1 64 . 1 1 20 20 ILE H H 1 8.103 0.01 . 1 . . . . 20 ILE H . 19499 1 65 . 1 1 20 20 ILE HA H 1 4.151 0.01 . 1 . . . . 20 ILE HA . 19499 1 66 . 1 1 20 20 ILE C C 13 176.465 0.05 . 1 . . . . 20 ILE C . 19499 1 67 . 1 1 20 20 ILE CA C 13 61.444 0.1 . 1 . . . . 20 ILE CA . 19499 1 68 . 1 1 20 20 ILE CB C 13 38.725 0.1 . 1 . . . . 20 ILE CB . 19499 1 69 . 1 1 20 20 ILE N N 15 121.415 0.05 . 1 . . . . 20 ILE N . 19499 1 70 . 1 1 21 21 SER H H 1 8.402 0.01 . 1 . . . . 21 SER H . 19499 1 71 . 1 1 21 21 SER HA H 1 4.433 0.01 . 1 . . . . 21 SER HA . 19499 1 72 . 1 1 21 21 SER C C 13 175.302 0.05 . 1 . . . . 21 SER C . 19499 1 73 . 1 1 21 21 SER CA C 13 58.778 0.1 . 1 . . . . 21 SER CA . 19499 1 74 . 1 1 21 21 SER CB C 13 63.846 0.1 . 1 . . . . 21 SER CB . 19499 1 75 . 1 1 21 21 SER N N 15 119.389 0.05 . 1 . . . . 21 SER N . 19499 1 76 . 1 1 22 22 GLY H H 1 8.525 0.01 . 1 . . . . 22 GLY H . 19499 1 77 . 1 1 22 22 GLY HA2 H 1 3.994 0.01 . 2 . . . . 22 GLY HA2 . 19499 1 78 . 1 1 22 22 GLY C C 13 174.581 0.05 . 1 . . . . 22 GLY C . 19499 1 79 . 1 1 22 22 GLY CA C 13 45.686 0.1 . 1 . . . . 22 GLY CA . 19499 1 80 . 1 1 22 22 GLY N N 15 111.31 0.05 . 1 . . . . 22 GLY N . 19499 1 81 . 1 1 23 23 ARG H H 1 8.12 0.01 . 1 . . . . 23 ARG H . 19499 1 82 . 1 1 23 23 ARG HA H 1 4.273 0.01 . 1 . . . . 23 ARG HA . 19499 1 83 . 1 1 23 23 ARG C C 13 176.548 0.05 . 1 . . . . 23 ARG C . 19499 1 84 . 1 1 23 23 ARG CA C 13 56.447 0.1 . 1 . . . . 23 ARG CA . 19499 1 85 . 1 1 23 23 ARG CB C 13 30.688 0.1 . 1 . . . . 23 ARG CB . 19499 1 86 . 1 1 23 23 ARG N N 15 120.2 0.05 . 1 . . . . 23 ARG N . 19499 1 87 . 1 1 24 24 GLU H H 1 8.665 0.01 . 1 . . . . 24 GLU H . 19499 1 88 . 1 1 24 24 GLU HA H 1 4.142 0.01 . 1 . . . . 24 GLU HA . 19499 1 89 . 1 1 24 24 GLU C C 13 176.449 0.05 . 1 . . . . 24 GLU C . 19499 1 90 . 1 1 24 24 GLU CA C 13 57.545 0.1 . 1 . . . . 24 GLU CA . 19499 1 91 . 1 1 24 24 GLU CB C 13 29.921 0.1 . 1 . . . . 24 GLU CB . 19499 1 92 . 1 1 24 24 GLU N N 15 120.786 0.05 . 1 . . . . 24 GLU N . 19499 1 93 . 1 1 25 25 ASN H H 1 8.315 0.01 . 1 . . . . 25 ASN H . 19499 1 94 . 1 1 25 25 ASN HA H 1 4.6 0.01 . 1 . . . . 25 ASN HA . 19499 1 95 . 1 1 25 25 ASN HD21 H 1 6.878 0.01 . 2 . . . . 25 ASN HD21 . 19499 1 96 . 1 1 25 25 ASN HD22 H 1 7.515 0.01 . 2 . . . . 25 ASN HD22 . 19499 1 97 . 1 1 25 25 ASN C C 13 175.25 0.05 . 1 . . . . 25 ASN C . 19499 1 98 . 1 1 25 25 ASN CA C 13 53.609 0.1 . 1 . . . . 25 ASN CA . 19499 1 99 . 1 1 25 25 ASN CB C 13 38.694 0.1 . 1 . . . . 25 ASN CB . 19499 1 100 . 1 1 25 25 ASN CG C 13 176.922 0.1 . 1 . . . . 25 ASN CG . 19499 1 101 . 1 1 25 25 ASN N N 15 118.476 0.05 . 1 . . . . 25 ASN N . 19499 1 102 . 1 1 25 25 ASN ND2 N 15 112.69 0.05 . 1 . . . . 25 ASN ND2 . 19499 1 103 . 1 1 26 26 LEU H H 1 7.968 0.01 . 1 . . . . 26 LEU H . 19499 1 104 . 1 1 26 26 LEU HA H 1 4.161 0.01 . 1 . . . . 26 LEU HA . 19499 1 105 . 1 1 26 26 LEU C C 13 177.108 0.05 . 1 . . . . 26 LEU C . 19499 1 106 . 1 1 26 26 LEU CA C 13 55.678 0.1 . 1 . . . . 26 LEU CA . 19499 1 107 . 1 1 26 26 LEU CB C 13 42.194 0.1 . 1 . . . . 26 LEU CB . 19499 1 108 . 1 1 26 26 LEU N N 15 121.61 0.05 . 1 . . . . 26 LEU N . 19499 1 109 . 1 1 27 27 TYR H H 1 7.925 0.01 . 1 . . . . 27 TYR H . 19499 1 110 . 1 1 27 27 TYR HA H 1 4.408 0.01 . 1 . . . . 27 TYR HA . 19499 1 111 . 1 1 27 27 TYR C C 13 175.622 0.05 . 1 . . . . 27 TYR C . 19499 1 112 . 1 1 27 27 TYR CA C 13 58.114 0.1 . 1 . . . . 27 TYR CA . 19499 1 113 . 1 1 27 27 TYR CB C 13 38.502 0.1 . 1 . . . . 27 TYR CB . 19499 1 114 . 1 1 27 27 TYR N N 15 119.107 0.05 . 1 . . . . 27 TYR N . 19499 1 115 . 1 1 28 28 PHE H H 1 7.878 0.01 . 1 . . . . 28 PHE H . 19499 1 116 . 1 1 28 28 PHE HA H 1 4.267 0.01 . 1 . . . . 28 PHE HA . 19499 1 117 . 1 1 28 28 PHE C C 13 175.411 0.05 . 1 . . . . 28 PHE C . 19499 1 118 . 1 1 28 28 PHE CA C 13 57.725 0.1 . 1 . . . . 28 PHE CA . 19499 1 119 . 1 1 28 28 PHE N N 15 120.322 0.05 . 1 . . . . 28 PHE N . 19499 1 120 . 1 1 29 29 GLN H H 1 8.145 0.01 . 1 . . . . 29 GLN H . 19499 1 121 . 1 1 29 29 GLN HA H 1 4.322 0.01 . 1 . . . . 29 GLN HA . 19499 1 122 . 1 1 29 29 GLN HE21 H 1 6.817 0.01 . 2 . . . . 29 GLN HE21 . 19499 1 123 . 1 1 29 29 GLN HE22 H 1 7.437 0.01 . 2 . . . . 29 GLN HE22 . 19499 1 124 . 1 1 29 29 GLN C C 13 175.849 0.05 . 1 . . . . 29 GLN C . 19499 1 125 . 1 1 29 29 GLN CA C 13 55.894 0.1 . 1 . . . . 29 GLN CA . 19499 1 126 . 1 1 29 29 GLN CG C 13 33.799 0.1 . 1 . . . . 29 GLN CG . 19499 1 127 . 1 1 29 29 GLN CD C 13 180.349 0.1 . 1 . . . . 29 GLN CD . 19499 1 128 . 1 1 29 29 GLN N N 15 121.441 0.05 . 1 . . . . 29 GLN N . 19499 1 129 . 1 1 29 29 GLN NE2 N 15 112.152 0.05 . 1 . . . . 29 GLN NE2 . 19499 1 130 . 1 1 30 30 SER HA H 1 4.36 0.01 . 1 . . . . 30 SER HA . 19499 1 131 . 1 1 31 31 GLY HA2 H 1 3.931 0.01 . 2 . . . . 31 GLY HA2 . 19499 1 132 . 1 1 31 31 GLY HA3 H 1 4.033 0.01 . 2 . . . . 31 GLY HA3 . 19499 1 133 . 1 1 31 31 GLY C C 13 174.317 0.05 . 1 . . . . 31 GLY C . 19499 1 134 . 1 1 31 31 GLY CA C 13 45.549 0.1 . 1 . . . . 31 GLY CA . 19499 1 135 . 1 1 32 32 SER H H 1 8.127 0.01 . 1 . . . . 32 SER H . 19499 1 136 . 1 1 32 32 SER HA H 1 4.387 0.01 . 1 . . . . 32 SER HA . 19499 1 137 . 1 1 32 32 SER C C 13 174.309 0.05 . 1 . . . . 32 SER C . 19499 1 138 . 1 1 32 32 SER CA C 13 58.435 0.1 . 1 . . . . 32 SER CA . 19499 1 139 . 1 1 32 32 SER CB C 13 63.694 0.1 . 1 . . . . 32 SER CB . 19499 1 140 . 1 1 32 32 SER N N 15 115.289 0.05 . 1 . . . . 32 SER N . 19499 1 141 . 1 1 33 33 GLU H H 1 8.431 0.01 . 1 . . . . 33 GLU H . 19499 1 142 . 1 1 33 33 GLU HA H 1 4.174 0.01 . 1 . . . . 33 GLU HA . 19499 1 143 . 1 1 33 33 GLU C C 13 175.616 0.05 . 1 . . . . 33 GLU C . 19499 1 144 . 1 1 33 33 GLU CA C 13 56.709 0.1 . 1 . . . . 33 GLU CA . 19499 1 145 . 1 1 33 33 GLU CB C 13 30.223 0.1 . 1 . . . . 33 GLU CB . 19499 1 146 . 1 1 33 33 GLU N N 15 121.934 0.05 . 1 . . . . 33 GLU N . 19499 1 147 . 1 1 34 34 PHE H H 1 8.056 0.01 . 1 . . . . 34 PHE H . 19499 1 148 . 1 1 34 34 PHE C C 13 173.77 0.05 . 1 . . . . 34 PHE C . 19499 1 149 . 1 1 34 34 PHE CA C 13 55.425 0.1 . 1 . . . . 34 PHE CA . 19499 1 150 . 1 1 34 34 PHE N N 15 120.881 0.05 . 1 . . . . 34 PHE N . 19499 1 151 . 1 1 35 35 PRO HA H 1 4.349 0.01 . 1 . . . . 35 PRO HA . 19499 1 152 . 1 1 35 35 PRO C C 13 176.22 0.05 . 1 . . . . 35 PRO C . 19499 1 153 . 1 1 35 35 PRO CA C 13 63.041 0.1 . 1 . . . . 35 PRO CA . 19499 1 154 . 1 1 35 35 PRO CB C 13 31.909 0.1 . 1 . . . . 35 PRO CB . 19499 1 155 . 1 1 36 36 ALA H H 1 8.296 0.01 . 1 . . . . 36 ALA H . 19499 1 156 . 1 1 36 36 ALA HA H 1 4.256 0.01 . 1 . . . . 36 ALA HA . 19499 1 157 . 1 1 36 36 ALA C C 13 177.444 0.05 . 1 . . . . 36 ALA C . 19499 1 158 . 1 1 36 36 ALA CA C 13 52.437 0.1 . 1 . . . . 36 ALA CA . 19499 1 159 . 1 1 36 36 ALA CB C 13 19.475 0.1 . 1 . . . . 36 ALA CB . 19499 1 160 . 1 1 36 36 ALA N N 15 124.124 0.05 . 1 . . . . 36 ALA N . 19499 1 161 . 1 1 37 37 GLU H H 1 8.259 0.01 . 1 . . . . 37 GLU H . 19499 1 162 . 1 1 37 37 GLU HA H 1 4.133 0.01 . 1 . . . . 37 GLU HA . 19499 1 163 . 1 1 37 37 GLU C C 13 176.107 0.05 . 1 . . . . 37 GLU C . 19499 1 164 . 1 1 37 37 GLU CA C 13 56.357 0.1 . 1 . . . . 37 GLU CA . 19499 1 165 . 1 1 37 37 GLU CB C 13 30.441 0.1 . 1 . . . . 37 GLU CB . 19499 1 166 . 1 1 37 37 GLU N N 15 119.822 0.05 . 1 . . . . 37 GLU N . 19499 1 167 . 1 1 38 38 THR H H 1 8.148 0.01 . 1 . . . . 38 THR H . 19499 1 168 . 1 1 38 38 THR C C 13 173.176 0.05 . 1 . . . . 38 THR C . 19499 1 169 . 1 1 38 38 THR CA C 13 59.544 0.1 . 1 . . . . 38 THR CA . 19499 1 170 . 1 1 38 38 THR N N 15 117.421 0.05 . 1 . . . . 38 THR N . 19499 1 171 . 1 1 39 39 PRO HA H 1 4.347 0.01 . 1 . . . . 39 PRO HA . 19499 1 172 . 1 1 39 39 PRO C C 13 176.678 0.05 . 1 . . . . 39 PRO C . 19499 1 173 . 1 1 39 39 PRO CA C 13 63.621 0.1 . 1 . . . . 39 PRO CA . 19499 1 174 . 1 1 40 40 SER H H 1 8.076 0.01 . 1 . . . . 40 SER H . 19499 1 175 . 1 1 40 40 SER HA H 1 4.355 0.01 . 1 . . . . 40 SER HA . 19499 1 176 . 1 1 40 40 SER C C 13 173.979 0.05 . 1 . . . . 40 SER C . 19499 1 177 . 1 1 40 40 SER CA C 13 58.115 0.1 . 1 . . . . 40 SER CA . 19499 1 178 . 1 1 40 40 SER CB C 13 63.722 0.1 . 1 . . . . 40 SER CB . 19499 1 179 . 1 1 40 40 SER N N 15 114.2 0.05 . 1 . . . . 40 SER N . 19499 1 180 . 1 1 41 41 GLY H H 1 7.789 0.01 . 1 . . . . 41 GLY H . 19499 1 181 . 1 1 41 41 GLY HA2 H 1 3.777 0.01 . 2 . . . . 41 GLY HA2 . 19499 1 182 . 1 1 41 41 GLY HA3 H 1 3.982 0.01 . 2 . . . . 41 GLY HA3 . 19499 1 183 . 1 1 41 41 GLY C C 13 172.429 0.05 . 1 . . . . 41 GLY C . 19499 1 184 . 1 1 41 41 GLY CA C 13 44.585 0.1 . 1 . . . . 41 GLY CA . 19499 1 185 . 1 1 41 41 GLY N N 15 109.541 0.05 . 1 . . . . 41 GLY N . 19499 1 186 . 1 1 42 42 TRP H H 1 8.875 0.01 . 1 . . . . 244 TRP H . 19499 1 187 . 1 1 42 42 TRP HA H 1 4.645 0.01 . 1 . . . . 244 TRP HA . 19499 1 188 . 1 1 42 42 TRP HE1 H 1 10.179 0.01 . 1 . . . . 244 TRP HE1 . 19499 1 189 . 1 1 42 42 TRP C C 13 174.444 0.05 . 1 . . . . 244 TRP C . 19499 1 190 . 1 1 42 42 TRP N N 15 122.326 0.05 . 1 . . . . 244 TRP N . 19499 1 191 . 1 1 42 42 TRP NE1 N 15 128.863 0.05 . 1 . . . . 244 TRP NE1 . 19499 1 192 . 1 1 43 43 CYS H H 1 9.111 0.01 . 1 . . . . 245 CYS H . 19499 1 193 . 1 1 43 43 CYS HA H 1 4.962 0.01 . 1 . . . . 245 CYS HA . 19499 1 194 . 1 1 43 43 CYS N N 15 124.113 0.05 . 1 . . . . 245 CYS N . 19499 1 195 . 1 1 44 44 ILE H H 1 9.809 0.01 . 1 . . . . 246 ILE H . 19499 1 196 . 1 1 44 44 ILE HA H 1 4.454 0.01 . 1 . . . . 246 ILE HA . 19499 1 197 . 1 1 44 44 ILE C C 13 174.184 0.05 . 1 . . . . 246 ILE C . 19499 1 198 . 1 1 44 44 ILE CA C 13 61.254 0.1 . 1 . . . . 246 ILE CA . 19499 1 199 . 1 1 44 44 ILE N N 15 132.06 0.05 . 1 . . . . 246 ILE N . 19499 1 200 . 1 1 45 45 PHE H H 1 9.502 0.01 . 1 . . . . 247 PHE H . 19499 1 201 . 1 1 45 45 PHE HA H 1 5.127 0.01 . 1 . . . . 247 PHE HA . 19499 1 202 . 1 1 45 45 PHE C C 13 173.735 0.05 . 1 . . . . 247 PHE C . 19499 1 203 . 1 1 45 45 PHE CA C 13 55.644 0.1 . 1 . . . . 247 PHE CA . 19499 1 204 . 1 1 45 45 PHE N N 15 127.596 0.05 . 1 . . . . 247 PHE N . 19499 1 205 . 1 1 46 46 ILE H H 1 8.335 0.01 . 1 . . . . 248 ILE H . 19499 1 206 . 1 1 46 46 ILE HA H 1 4.882 0.01 . 1 . . . . 248 ILE HA . 19499 1 207 . 1 1 46 46 ILE C C 13 172.871 0.05 . 1 . . . . 248 ILE C . 19499 1 208 . 1 1 46 46 ILE CA C 13 60.625 0.1 . 1 . . . . 248 ILE CA . 19499 1 209 . 1 1 46 46 ILE N N 15 125.512 0.05 . 1 . . . . 248 ILE N . 19499 1 210 . 1 1 47 47 TYR H H 1 9.089 0.01 . 1 . . . . 249 TYR H . 19499 1 211 . 1 1 47 47 TYR HA H 1 4.97 0.01 . 1 . . . . 249 TYR HA . 19499 1 212 . 1 1 47 47 TYR CA C 13 56.38 0.1 . 1 . . . . 249 TYR CA . 19499 1 213 . 1 1 47 47 TYR N N 15 124.31 0.05 . 1 . . . . 249 TYR N . 19499 1 214 . 1 1 48 48 ASN H H 1 7.538 0.01 . 1 . . . . 250 ASN H . 19499 1 215 . 1 1 48 48 ASN HA H 1 4.202 0.01 . 1 . . . . 250 ASN HA . 19499 1 216 . 1 1 48 48 ASN HD21 H 1 6.823 0.01 . 2 . . . . 250 ASN HD21 . 19499 1 217 . 1 1 48 48 ASN HD22 H 1 7.949 0.01 . 2 . . . . 250 ASN HD22 . 19499 1 218 . 1 1 48 48 ASN C C 13 174.287 0.05 . 1 . . . . 250 ASN C . 19499 1 219 . 1 1 48 48 ASN CA C 13 54.126 0.1 . 1 . . . . 250 ASN CA . 19499 1 220 . 1 1 48 48 ASN N N 15 117.222 0.05 . 1 . . . . 250 ASN N . 19499 1 221 . 1 1 48 48 ASN ND2 N 15 111.295 0.05 . 1 . . . . 250 ASN ND2 . 19499 1 222 . 1 1 49 49 LEU H H 1 7.226 0.01 . 1 . . . . 251 LEU H . 19499 1 223 . 1 1 49 49 LEU HA H 1 3.896 0.01 . 1 . . . . 251 LEU HA . 19499 1 224 . 1 1 49 49 LEU C C 13 178.208 0.05 . 1 . . . . 251 LEU C . 19499 1 225 . 1 1 49 49 LEU CA C 13 54.384 0.1 . 1 . . . . 251 LEU CA . 19499 1 226 . 1 1 49 49 LEU CB C 13 44.457 0.1 . 1 . . . . 251 LEU CB . 19499 1 227 . 1 1 49 49 LEU N N 15 113.605 0.05 . 1 . . . . 251 LEU N . 19499 1 228 . 1 1 50 50 GLY H H 1 8.452 0.01 . 1 . . . . 252 GLY H . 19499 1 229 . 1 1 50 50 GLY HA2 H 1 3.886 0.01 . 2 . . . . 252 GLY HA2 . 19499 1 230 . 1 1 50 50 GLY HA3 H 1 4.038 0.01 . 2 . . . . 252 GLY HA3 . 19499 1 231 . 1 1 50 50 GLY C C 13 174.359 0.05 . 1 . . . . 252 GLY C . 19499 1 232 . 1 1 50 50 GLY CA C 13 44.208 0.1 . 1 . . . . 252 GLY CA . 19499 1 233 . 1 1 50 50 GLY N N 15 108.042 0.05 . 1 . . . . 252 GLY N . 19499 1 234 . 1 1 51 51 GLN H H 1 8.514 0.01 . 1 . . . . 253 GLN H . 19499 1 235 . 1 1 51 51 GLN HA H 1 4.321 0.01 . 1 . . . . 253 GLN HA . 19499 1 236 . 1 1 51 51 GLN HE21 H 1 6.79 0.01 . 2 . . . . 253 GLN HE21 . 19499 1 237 . 1 1 51 51 GLN HE22 H 1 7.458 0.01 . 2 . . . . 253 GLN HE22 . 19499 1 238 . 1 1 51 51 GLN C C 13 176.469 0.05 . 1 . . . . 253 GLN C . 19499 1 239 . 1 1 51 51 GLN CA C 13 58.27 0.1 . 1 . . . . 253 GLN CA . 19499 1 240 . 1 1 51 51 GLN CB C 13 29.113 0.1 . 1 . . . . 253 GLN CB . 19499 1 241 . 1 1 51 51 GLN CG C 13 34.255 0.1 . 1 . . . . 253 GLN CG . 19499 1 242 . 1 1 51 51 GLN CD C 13 180.455 0.1 . 1 . . . . 253 GLN CD . 19499 1 243 . 1 1 51 51 GLN N N 15 116.164 0.05 . 1 . . . . 253 GLN N . 19499 1 244 . 1 1 51 51 GLN NE2 N 15 111.982 0.05 . 1 . . . . 253 GLN NE2 . 19499 1 245 . 1 1 52 52 ASP H H 1 8.596 0.01 . 1 . . . . 254 ASP H . 19499 1 246 . 1 1 52 52 ASP HA H 1 4.784 0.01 . 1 . . . . 254 ASP HA . 19499 1 247 . 1 1 52 52 ASP C C 13 175.915 0.05 . 1 . . . . 254 ASP C . 19499 1 248 . 1 1 52 52 ASP CA C 13 53.237 0.1 . 1 . . . . 254 ASP CA . 19499 1 249 . 1 1 52 52 ASP CB C 13 40.395 0.1 . 1 . . . . 254 ASP CB . 19499 1 250 . 1 1 52 52 ASP N N 15 116.563 0.05 . 1 . . . . 254 ASP N . 19499 1 251 . 1 1 53 53 ALA H H 1 7.154 0.01 . 1 . . . . 255 ALA H . 19499 1 252 . 1 1 53 53 ALA HA H 1 4.025 0.01 . 1 . . . . 255 ALA HA . 19499 1 253 . 1 1 53 53 ALA C C 13 175.063 0.05 . 1 . . . . 255 ALA C . 19499 1 254 . 1 1 53 53 ALA CA C 13 53.628 0.1 . 1 . . . . 255 ALA CA . 19499 1 255 . 1 1 53 53 ALA CB C 13 20.383 0.1 . 1 . . . . 255 ALA CB . 19499 1 256 . 1 1 53 53 ALA N N 15 123.211 0.05 . 1 . . . . 255 ALA N . 19499 1 257 . 1 1 54 54 ASP H H 1 6.92 0.01 . 1 . . . . 256 ASP H . 19499 1 258 . 1 1 54 54 ASP HA H 1 4.543 0.01 . 1 . . . . 256 ASP HA . 19499 1 259 . 1 1 54 54 ASP C C 13 174.716 0.05 . 1 . . . . 256 ASP C . 19499 1 260 . 1 1 54 54 ASP CA C 13 52.281 0.1 . 1 . . . . 256 ASP CA . 19499 1 261 . 1 1 54 54 ASP CB C 13 43.898 0.1 . 1 . . . . 256 ASP CB . 19499 1 262 . 1 1 54 54 ASP N N 15 116.012 0.05 . 1 . . . . 256 ASP N . 19499 1 263 . 1 1 55 55 GLU H H 1 9.785 0.01 . 1 . . . . 257 GLU H . 19499 1 264 . 1 1 55 55 GLU HA H 1 3.565 0.01 . 1 . . . . 257 GLU HA . 19499 1 265 . 1 1 55 55 GLU C C 13 178.143 0.05 . 1 . . . . 257 GLU C . 19499 1 266 . 1 1 55 55 GLU CA C 13 62.12 0.1 . 1 . . . . 257 GLU CA . 19499 1 267 . 1 1 55 55 GLU CB C 13 28.218 0.1 . 1 . . . . 257 GLU CB . 19499 1 268 . 1 1 55 55 GLU N N 15 119.726 0.05 . 1 . . . . 257 GLU N . 19499 1 269 . 1 1 56 56 GLY H H 1 8.387 0.01 . 1 . . . . 258 GLY H . 19499 1 270 . 1 1 56 56 GLY HA2 H 1 3.917 0.01 . 2 . . . . 258 GLY HA2 . 19499 1 271 . 1 1 56 56 GLY C C 13 177.003 0.05 . 1 . . . . 258 GLY C . 19499 1 272 . 1 1 56 56 GLY CA C 13 47.287 0.1 . 1 . . . . 258 GLY CA . 19499 1 273 . 1 1 56 56 GLY N N 15 107.453 0.05 . 1 . . . . 258 GLY N . 19499 1 274 . 1 1 57 57 ILE H H 1 7.83 0.01 . 1 . . . . 259 ILE H . 19499 1 275 . 1 1 57 57 ILE HA H 1 3.999 0.01 . 1 . . . . 259 ILE HA . 19499 1 276 . 1 1 57 57 ILE C C 13 178.495 0.05 . 1 . . . . 259 ILE C . 19499 1 277 . 1 1 57 57 ILE CA C 13 63.098 0.1 . 1 . . . . 259 ILE CA . 19499 1 278 . 1 1 57 57 ILE CB C 13 37.778 0.1 . 1 . . . . 259 ILE CB . 19499 1 279 . 1 1 57 57 ILE N N 15 122.094 0.05 . 1 . . . . 259 ILE N . 19499 1 280 . 1 1 58 58 LEU H H 1 7.248 0.01 . 1 . . . . 260 LEU H . 19499 1 281 . 1 1 58 58 LEU HA H 1 4.297 0.01 . 1 . . . . 260 LEU HA . 19499 1 282 . 1 1 58 58 LEU C C 13 179.455 0.05 . 1 . . . . 260 LEU C . 19499 1 283 . 1 1 58 58 LEU CA C 13 58.109 0.1 . 1 . . . . 260 LEU CA . 19499 1 284 . 1 1 58 58 LEU CB C 13 41.57 0.1 . 1 . . . . 260 LEU CB . 19499 1 285 . 1 1 58 58 LEU N N 15 119.174 0.05 . 1 . . . . 260 LEU N . 19499 1 286 . 1 1 59 59 GLU H H 1 8.709 0.01 . 1 . . . . 261 GLU H . 19499 1 287 . 1 1 59 59 GLU HA H 1 3.842 0.01 . 1 . . . . 261 GLU HA . 19499 1 288 . 1 1 59 59 GLU C C 13 179.861 0.05 . 1 . . . . 261 GLU C . 19499 1 289 . 1 1 59 59 GLU CA C 13 60.954 0.1 . 1 . . . . 261 GLU CA . 19499 1 290 . 1 1 59 59 GLU CB C 13 29.773 0.1 . 1 . . . . 261 GLU CB . 19499 1 291 . 1 1 59 59 GLU N N 15 120.179 0.05 . 1 . . . . 261 GLU N . 19499 1 292 . 1 1 60 60 GLN H H 1 8.049 0.01 . 1 . . . . 262 GLN H . 19499 1 293 . 1 1 60 60 GLN HA H 1 4.098 0.01 . 1 . . . . 262 GLN HA . 19499 1 294 . 1 1 60 60 GLN HE21 H 1 6.932 0.01 . 2 . . . . 262 GLN HE21 . 19499 1 295 . 1 1 60 60 GLN HE22 H 1 7.63 0.01 . 2 . . . . 262 GLN HE22 . 19499 1 296 . 1 1 60 60 GLN C C 13 177.942 0.05 . 1 . . . . 262 GLN C . 19499 1 297 . 1 1 60 60 GLN CA C 13 58.379 0.1 . 1 . . . . 262 GLN CA . 19499 1 298 . 1 1 60 60 GLN CB C 13 28.925 0.1 . 1 . . . . 262 GLN CB . 19499 1 299 . 1 1 60 60 GLN CG C 13 33.893 0.1 . 1 . . . . 262 GLN CG . 19499 1 300 . 1 1 60 60 GLN CD C 13 180.386 0.1 . 1 . . . . 262 GLN CD . 19499 1 301 . 1 1 60 60 GLN N N 15 117.666 0.05 . 1 . . . . 262 GLN N . 19499 1 302 . 1 1 60 60 GLN NE2 N 15 112.266 0.05 . 1 . . . . 262 GLN NE2 . 19499 1 303 . 1 1 61 61 MET H H 1 7.857 0.01 . 1 . . . . 263 MET H . 19499 1 304 . 1 1 61 61 MET HA H 1 4.039 0.01 . 1 . . . . 263 MET HA . 19499 1 305 . 1 1 61 61 MET C C 13 177.054 0.05 . 1 . . . . 263 MET C . 19499 1 306 . 1 1 61 61 MET CA C 13 58.463 0.1 . 1 . . . . 263 MET CA . 19499 1 307 . 1 1 61 61 MET N N 15 117.068 0.05 . 1 . . . . 263 MET N . 19499 1 308 . 1 1 62 62 PHE H H 1 8.1 0.01 . 1 . . . . 264 PHE H . 19499 1 309 . 1 1 62 62 PHE HA H 1 4.382 0.01 . 1 . . . . 264 PHE HA . 19499 1 310 . 1 1 62 62 PHE C C 13 176.369 0.05 . 1 . . . . 264 PHE C . 19499 1 311 . 1 1 62 62 PHE CA C 13 61.167 0.1 . 1 . . . . 264 PHE CA . 19499 1 312 . 1 1 62 62 PHE N N 15 113.948 0.05 . 1 . . . . 264 PHE N . 19499 1 313 . 1 1 63 63 GLY H H 1 8.206 0.01 . 1 . . . . 265 GLY H . 19499 1 314 . 1 1 63 63 GLY HA2 H 1 4.208 0.01 . 2 . . . . 265 GLY HA2 . 19499 1 315 . 1 1 63 63 GLY HA3 H 1 4.3 0.01 . 2 . . . . 265 GLY HA3 . 19499 1 316 . 1 1 63 63 GLY CA C 13 47.996 0.1 . 1 . . . . 265 GLY CA . 19499 1 317 . 1 1 63 63 GLY N N 15 107.589 0.05 . 1 . . . . 265 GLY N . 19499 1 318 . 1 1 64 64 PRO HA H 1 4.154 0.01 . 1 . . . . 266 PRO HA . 19499 1 319 . 1 1 64 64 PRO C C 13 177.418 0.05 . 1 . . . . 266 PRO C . 19499 1 320 . 1 1 64 64 PRO CA C 13 64.79 0.1 . 1 . . . . 266 PRO CA . 19499 1 321 . 1 1 65 65 PHE H H 1 7.961 0.01 . 1 . . . . 267 PHE H . 19499 1 322 . 1 1 65 65 PHE HA H 1 4.198 0.01 . 1 . . . . 267 PHE HA . 19499 1 323 . 1 1 65 65 PHE C C 13 175.176 0.05 . 1 . . . . 267 PHE C . 19499 1 324 . 1 1 65 65 PHE CA C 13 59.697 0.1 . 1 . . . . 267 PHE CA . 19499 1 325 . 1 1 65 65 PHE CB C 13 39.672 0.1 . 1 . . . . 267 PHE CB . 19499 1 326 . 1 1 65 65 PHE N N 15 112.78 0.05 . 1 . . . . 267 PHE N . 19499 1 327 . 1 1 66 66 GLY H H 1 7.533 0.01 . 1 . . . . 268 GLY H . 19499 1 328 . 1 1 66 66 GLY HA2 H 1 3.657 0.01 . 2 . . . . 268 GLY HA2 . 19499 1 329 . 1 1 66 66 GLY HA3 H 1 4.483 0.01 . 2 . . . . 268 GLY HA3 . 19499 1 330 . 1 1 66 66 GLY C C 13 171.192 0.05 . 1 . . . . 268 GLY C . 19499 1 331 . 1 1 66 66 GLY CA C 13 44.458 0.1 . 1 . . . . 268 GLY CA . 19499 1 332 . 1 1 66 66 GLY N N 15 105.223 0.05 . 1 . . . . 268 GLY N . 19499 1 333 . 1 1 67 67 ALA H H 1 7.829 0.01 . 1 . . . . 269 ALA H . 19499 1 334 . 1 1 67 67 ALA HA H 1 4.244 0.01 . 1 . . . . 269 ALA HA . 19499 1 335 . 1 1 67 67 ALA C C 13 177.842 0.05 . 1 . . . . 269 ALA C . 19499 1 336 . 1 1 67 67 ALA CA C 13 53.647 0.1 . 1 . . . . 269 ALA CA . 19499 1 337 . 1 1 67 67 ALA CB C 13 18.798 0.1 . 1 . . . . 269 ALA CB . 19499 1 338 . 1 1 67 67 ALA N N 15 120.251 0.05 . 1 . . . . 269 ALA N . 19499 1 339 . 1 1 68 68 VAL H H 1 8.542 0.01 . 1 . . . . 270 VAL H . 19499 1 340 . 1 1 68 68 VAL HA H 1 4.692 0.01 . 1 . . . . 270 VAL HA . 19499 1 341 . 1 1 68 68 VAL C C 13 177.097 0.05 . 1 . . . . 270 VAL C . 19499 1 342 . 1 1 68 68 VAL CA C 13 60.963 0.1 . 1 . . . . 270 VAL CA . 19499 1 343 . 1 1 68 68 VAL N N 15 124.732 0.05 . 1 . . . . 270 VAL N . 19499 1 344 . 1 1 69 69 THR H H 1 8.89 0.01 . 1 . . . . 271 THR H . 19499 1 345 . 1 1 69 69 THR HA H 1 4.508 0.01 . 1 . . . . 271 THR HA . 19499 1 346 . 1 1 69 69 THR C C 13 174.602 0.05 . 1 . . . . 271 THR C . 19499 1 347 . 1 1 69 69 THR CA C 13 61.504 0.1 . 1 . . . . 271 THR CA . 19499 1 348 . 1 1 69 69 THR CB C 13 69.656 0.1 . 1 . . . . 271 THR CB . 19499 1 349 . 1 1 69 69 THR N N 15 116.946 0.05 . 1 . . . . 271 THR N . 19499 1 350 . 1 1 70 70 ASN H H 1 7.575 0.01 . 1 . . . . 272 ASN H . 19499 1 351 . 1 1 70 70 ASN HA H 1 4.772 0.01 . 1 . . . . 272 ASN HA . 19499 1 352 . 1 1 70 70 ASN HD21 H 1 6.832 0.01 . 2 . . . . 272 ASN HD21 . 19499 1 353 . 1 1 70 70 ASN HD22 H 1 7.617 0.01 . 2 . . . . 272 ASN HD22 . 19499 1 354 . 1 1 70 70 ASN C C 13 172.857 0.05 . 1 . . . . 272 ASN C . 19499 1 355 . 1 1 70 70 ASN CA C 13 54.171 0.1 . 1 . . . . 272 ASN CA . 19499 1 356 . 1 1 70 70 ASN CB C 13 41.603 0.1 . 1 . . . . 272 ASN CB . 19499 1 357 . 1 1 70 70 ASN CG C 13 176.865 0.1 . 1 . . . . 272 ASN CG . 19499 1 358 . 1 1 70 70 ASN N N 15 118.058 0.05 . 1 . . . . 272 ASN N . 19499 1 359 . 1 1 70 70 ASN ND2 N 15 112.005 0.05 . 1 . . . . 272 ASN ND2 . 19499 1 360 . 1 1 71 71 VAL H H 1 8.177 0.01 . 1 . . . . 273 VAL H . 19499 1 361 . 1 1 71 71 VAL HA H 1 4.626 0.01 . 1 . . . . 273 VAL HA . 19499 1 362 . 1 1 71 71 VAL C C 13 174.16 0.05 . 1 . . . . 273 VAL C . 19499 1 363 . 1 1 71 71 VAL CA C 13 61.362 0.1 . 1 . . . . 273 VAL CA . 19499 1 364 . 1 1 71 71 VAL N N 15 120.421 0.05 . 1 . . . . 273 VAL N . 19499 1 365 . 1 1 72 72 LYS H H 1 8.85 0.01 . 1 . . . . 274 LYS H . 19499 1 366 . 1 1 72 72 LYS HA H 1 4.782 0.01 . 1 . . . . 274 LYS HA . 19499 1 367 . 1 1 72 72 LYS C C 13 174.678 0.05 . 1 . . . . 274 LYS C . 19499 1 368 . 1 1 72 72 LYS CA C 13 55.327 0.1 . 1 . . . . 274 LYS CA . 19499 1 369 . 1 1 72 72 LYS CB C 13 36.208 0.1 . 1 . . . . 274 LYS CB . 19499 1 370 . 1 1 72 72 LYS N N 15 125.125 0.05 . 1 . . . . 274 LYS N . 19499 1 371 . 1 1 73 73 VAL H H 1 8.603 0.01 . 1 . . . . 275 VAL H . 19499 1 372 . 1 1 73 73 VAL HA H 1 4.153 0.01 . 1 . . . . 275 VAL HA . 19499 1 373 . 1 1 73 73 VAL C C 13 174.529 0.05 . 1 . . . . 275 VAL C . 19499 1 374 . 1 1 73 73 VAL CA C 13 61.618 0.1 . 1 . . . . 275 VAL CA . 19499 1 375 . 1 1 73 73 VAL CB C 13 33.423 0.1 . 1 . . . . 275 VAL CB . 19499 1 376 . 1 1 73 73 VAL N N 15 123.255 0.05 . 1 . . . . 275 VAL N . 19499 1 377 . 1 1 74 74 ILE H H 1 7.907 0.01 . 1 . . . . 276 ILE H . 19499 1 378 . 1 1 74 74 ILE HA H 1 4.179 0.01 . 1 . . . . 276 ILE HA . 19499 1 379 . 1 1 74 74 ILE C C 13 175.733 0.05 . 1 . . . . 276 ILE C . 19499 1 380 . 1 1 74 74 ILE CA C 13 59.347 0.1 . 1 . . . . 276 ILE CA . 19499 1 381 . 1 1 74 74 ILE N N 15 126.244 0.05 . 1 . . . . 276 ILE N . 19499 1 382 . 1 1 75 75 ARG H H 1 8.683 0.01 . 1 . . . . 277 ARG H . 19499 1 383 . 1 1 75 75 ARG HA H 1 4.859 0.01 . 1 . . . . 277 ARG HA . 19499 1 384 . 1 1 75 75 ARG C C 13 175.749 0.05 . 1 . . . . 277 ARG C . 19499 1 385 . 1 1 75 75 ARG CA C 13 54.52 0.1 . 1 . . . . 277 ARG CA . 19499 1 386 . 1 1 75 75 ARG CB C 13 33.516 0.1 . 1 . . . . 277 ARG CB . 19499 1 387 . 1 1 75 75 ARG N N 15 127.347 0.05 . 1 . . . . 277 ARG N . 19499 1 388 . 1 1 76 76 ASP H H 1 8.446 0.01 . 1 . . . . 278 ASP H . 19499 1 389 . 1 1 76 76 ASP CA C 13 53.887 0.1 . 1 . . . . 278 ASP CA . 19499 1 390 . 1 1 76 76 ASP N N 15 121.635 0.05 . 1 . . . . 278 ASP N . 19499 1 391 . 1 1 77 77 PHE HA H 1 4.358 0.01 . 1 . . . . 279 PHE HA . 19499 1 392 . 1 1 77 77 PHE C C 13 176.379 0.05 . 1 . . . . 279 PHE C . 19499 1 393 . 1 1 77 77 PHE CA C 13 60.15 0.1 . 1 . . . . 279 PHE CA . 19499 1 394 . 1 1 77 77 PHE CB C 13 39.18 0.1 . 1 . . . . 279 PHE CB . 19499 1 395 . 1 1 78 78 ASN H H 1 8.685 0.01 . 1 . . . . 280 ASN H . 19499 1 396 . 1 1 78 78 ASN HA H 1 4.58 0.01 . 1 . . . . 280 ASN HA . 19499 1 397 . 1 1 78 78 ASN HD21 H 1 7.008 0.01 . 2 . . . . 280 ASN HD21 . 19499 1 398 . 1 1 78 78 ASN HD22 H 1 7.879 0.01 . 2 . . . . 280 ASN HD22 . 19499 1 399 . 1 1 78 78 ASN C C 13 176.764 0.05 . 1 . . . . 280 ASN C . 19499 1 400 . 1 1 78 78 ASN CA C 13 55.439 0.1 . 1 . . . . 280 ASN CA . 19499 1 401 . 1 1 78 78 ASN CB C 13 39.105 0.1 . 1 . . . . 280 ASN CB . 19499 1 402 . 1 1 78 78 ASN CG C 13 176.656 0.1 . 1 . . . . 280 ASN CG . 19499 1 403 . 1 1 78 78 ASN N N 15 115.879 0.05 . 1 . . . . 280 ASN N . 19499 1 404 . 1 1 78 78 ASN ND2 N 15 114.162 0.05 . 1 . . . . 280 ASN ND2 . 19499 1 405 . 1 1 79 79 THR H H 1 8.154 0.01 . 1 . . . . 281 THR H . 19499 1 406 . 1 1 79 79 THR HA H 1 4.388 0.01 . 1 . . . . 281 THR HA . 19499 1 407 . 1 1 79 79 THR C C 13 175.621 0.05 . 1 . . . . 281 THR C . 19499 1 408 . 1 1 79 79 THR CA C 13 61.675 0.1 . 1 . . . . 281 THR CA . 19499 1 409 . 1 1 79 79 THR CB C 13 71.02 0.1 . 1 . . . . 281 THR CB . 19499 1 410 . 1 1 79 79 THR N N 15 107.873 0.05 . 1 . . . . 281 THR N . 19499 1 411 . 1 1 80 80 ASN H H 1 8.396 0.01 . 1 . . . . 282 ASN H . 19499 1 412 . 1 1 80 80 ASN HA H 1 4.463 0.01 . 1 . . . . 282 ASN HA . 19499 1 413 . 1 1 80 80 ASN HD21 H 1 6.797 0.01 . 2 . . . . 282 ASN HD21 . 19499 1 414 . 1 1 80 80 ASN HD22 H 1 7.51 0.01 . 2 . . . . 282 ASN HD22 . 19499 1 415 . 1 1 80 80 ASN C C 13 174.294 0.05 . 1 . . . . 282 ASN C . 19499 1 416 . 1 1 80 80 ASN CA C 13 54.758 0.1 . 1 . . . . 282 ASN CA . 19499 1 417 . 1 1 80 80 ASN CB C 13 38.67 0.1 . 1 . . . . 282 ASN CB . 19499 1 418 . 1 1 80 80 ASN CG C 13 178.118 0.1 . 1 . . . . 282 ASN CG . 19499 1 419 . 1 1 80 80 ASN N N 15 117.202 0.05 . 1 . . . . 282 ASN N . 19499 1 420 . 1 1 80 80 ASN ND2 N 15 112.052 0.05 . 1 . . . . 282 ASN ND2 . 19499 1 421 . 1 1 81 81 LYS H H 1 7.724 0.01 . 1 . . . . 283 LYS H . 19499 1 422 . 1 1 81 81 LYS HA H 1 4.581 0.01 . 1 . . . . 283 LYS HA . 19499 1 423 . 1 1 81 81 LYS C C 13 176.42 0.05 . 1 . . . . 283 LYS C . 19499 1 424 . 1 1 81 81 LYS CA C 13 54.563 0.1 . 1 . . . . 283 LYS CA . 19499 1 425 . 1 1 81 81 LYS N N 15 116.738 0.05 . 1 . . . . 283 LYS N . 19499 1 426 . 1 1 82 82 CYS H H 1 8.883 0.01 . 1 . . . . 284 CYS H . 19499 1 427 . 1 1 82 82 CYS HA H 1 4.286 0.01 . 1 . . . . 284 CYS HA . 19499 1 428 . 1 1 82 82 CYS C C 13 176.071 0.05 . 1 . . . . 284 CYS C . 19499 1 429 . 1 1 82 82 CYS CA C 13 59.206 0.1 . 1 . . . . 284 CYS CA . 19499 1 430 . 1 1 82 82 CYS N N 15 121.608 0.05 . 1 . . . . 284 CYS N . 19499 1 431 . 1 1 83 83 LYS H H 1 9.14 0.01 . 1 . . . . 285 LYS H . 19499 1 432 . 1 1 83 83 LYS HA H 1 4.296 0.01 . 1 . . . . 285 LYS HA . 19499 1 433 . 1 1 83 83 LYS C C 13 175.825 0.05 . 1 . . . . 285 LYS C . 19499 1 434 . 1 1 83 83 LYS CA C 13 57.111 0.1 . 1 . . . . 285 LYS CA . 19499 1 435 . 1 1 83 83 LYS CB C 13 33.437 0.1 . 1 . . . . 285 LYS CB . 19499 1 436 . 1 1 83 83 LYS N N 15 128.828 0.05 . 1 . . . . 285 LYS N . 19499 1 437 . 1 1 84 84 GLY H H 1 8.459 0.01 . 1 . . . . 286 GLY H . 19499 1 438 . 1 1 84 84 GLY HA2 H 1 3.94 0.01 . 2 . . . . 286 GLY HA2 . 19499 1 439 . 1 1 84 84 GLY HA3 H 1 4.536 0.01 . 2 . . . . 286 GLY HA3 . 19499 1 440 . 1 1 84 84 GLY C C 13 172.831 0.05 . 1 . . . . 286 GLY C . 19499 1 441 . 1 1 84 84 GLY CA C 13 44.077 0.1 . 1 . . . . 286 GLY CA . 19499 1 442 . 1 1 84 84 GLY N N 15 107.105 0.05 . 1 . . . . 286 GLY N . 19499 1 443 . 1 1 85 85 PHE H H 1 6.77 0.01 . 1 . . . . 287 PHE H . 19499 1 444 . 1 1 85 85 PHE HA H 1 5.571 0.01 . 1 . . . . 287 PHE HA . 19499 1 445 . 1 1 85 85 PHE C C 13 172.99 0.05 . 1 . . . . 287 PHE C . 19499 1 446 . 1 1 85 85 PHE CA C 13 54.532 0.1 . 1 . . . . 287 PHE CA . 19499 1 447 . 1 1 85 85 PHE CB C 13 42.083 0.1 . 1 . . . . 287 PHE CB . 19499 1 448 . 1 1 85 85 PHE N N 15 115.656 0.05 . 1 . . . . 287 PHE N . 19499 1 449 . 1 1 86 86 GLY H H 1 8.654 0.01 . 1 . . . . 288 GLY H . 19499 1 450 . 1 1 86 86 GLY HA2 H 1 3.725 0.01 . 2 . . . . 288 GLY HA2 . 19499 1 451 . 1 1 86 86 GLY HA3 H 1 4.239 0.01 . 2 . . . . 288 GLY HA3 . 19499 1 452 . 1 1 86 86 GLY C C 13 169.295 0.05 . 1 . . . . 288 GLY C . 19499 1 453 . 1 1 86 86 GLY CA C 13 45.237 0.1 . 1 . . . . 288 GLY CA . 19499 1 454 . 1 1 86 86 GLY N N 15 105.975 0.05 . 1 . . . . 288 GLY N . 19499 1 455 . 1 1 87 87 PHE H H 1 9.052 0.01 . 1 . . . . 289 PHE H . 19499 1 456 . 1 1 87 87 PHE HA H 1 5.888 0.01 . 1 . . . . 289 PHE HA . 19499 1 457 . 1 1 87 87 PHE C C 13 174.484 0.05 . 1 . . . . 289 PHE C . 19499 1 458 . 1 1 87 87 PHE CA C 13 56.242 0.1 . 1 . . . . 289 PHE CA . 19499 1 459 . 1 1 87 87 PHE N N 15 114.738 0.05 . 1 . . . . 289 PHE N . 19499 1 460 . 1 1 88 88 VAL H H 1 8.897 0.01 . 1 . . . . 290 VAL H . 19499 1 461 . 1 1 88 88 VAL HA H 1 4.641 0.01 . 1 . . . . 290 VAL HA . 19499 1 462 . 1 1 88 88 VAL C C 13 174.411 0.05 . 1 . . . . 290 VAL C . 19499 1 463 . 1 1 88 88 VAL CA C 13 60.278 0.1 . 1 . . . . 290 VAL CA . 19499 1 464 . 1 1 88 88 VAL N N 15 119.166 0.05 . 1 . . . . 290 VAL N . 19499 1 465 . 1 1 89 89 THR H H 1 8.758 0.01 . 1 . . . . 291 THR H . 19499 1 466 . 1 1 89 89 THR HA H 1 5.336 0.01 . 1 . . . . 291 THR HA . 19499 1 467 . 1 1 89 89 THR C C 13 173.948 0.05 . 1 . . . . 291 THR C . 19499 1 468 . 1 1 89 89 THR CA C 13 61.376 0.1 . 1 . . . . 291 THR CA . 19499 1 469 . 1 1 89 89 THR N N 15 120.135 0.05 . 1 . . . . 291 THR N . 19499 1 470 . 1 1 90 90 MET H H 1 8.853 0.01 . 1 . . . . 292 MET H . 19499 1 471 . 1 1 90 90 MET HA H 1 5.324 0.01 . 1 . . . . 292 MET HA . 19499 1 472 . 1 1 90 90 MET C C 13 175.771 0.05 . 1 . . . . 292 MET C . 19499 1 473 . 1 1 90 90 MET CA C 13 54.953 0.1 . 1 . . . . 292 MET CA . 19499 1 474 . 1 1 90 90 MET N N 15 124.503 0.05 . 1 . . . . 292 MET N . 19499 1 475 . 1 1 91 91 THR H H 1 7.604 0.01 . 1 . . . . 293 THR H . 19499 1 476 . 1 1 91 91 THR HA H 1 4.193 0.01 . 1 . . . . 293 THR HA . 19499 1 477 . 1 1 91 91 THR C C 13 174.389 0.05 . 1 . . . . 293 THR C . 19499 1 478 . 1 1 91 91 THR CA C 13 65.92 0.1 . 1 . . . . 293 THR CA . 19499 1 479 . 1 1 91 91 THR N N 15 116.535 0.05 . 1 . . . . 293 THR N . 19499 1 480 . 1 1 92 92 ASN H H 1 9.432 0.01 . 1 . . . . 294 ASN H . 19499 1 481 . 1 1 92 92 ASN HA H 1 5.288 0.01 . 1 . . . . 294 ASN HA . 19499 1 482 . 1 1 92 92 ASN HD21 H 1 7.193 0.01 . 2 . . . . 294 ASN HD21 . 19499 1 483 . 1 1 92 92 ASN HD22 H 1 7.898 0.01 . 2 . . . . 294 ASN HD22 . 19499 1 484 . 1 1 92 92 ASN C C 13 174.736 0.05 . 1 . . . . 294 ASN C . 19499 1 485 . 1 1 92 92 ASN CA C 13 52.764 0.1 . 1 . . . . 294 ASN CA . 19499 1 486 . 1 1 92 92 ASN CB C 13 40.199 0.1 . 1 . . . . 294 ASN CB . 19499 1 487 . 1 1 92 92 ASN N N 15 119.527 0.05 . 1 . . . . 294 ASN N . 19499 1 488 . 1 1 92 92 ASN ND2 N 15 115.368 0.05 . 1 . . . . 294 ASN ND2 . 19499 1 489 . 1 1 93 93 TYR H H 1 9.052 0.01 . 1 . . . . 295 TYR H . 19499 1 490 . 1 1 93 93 TYR HA H 1 2.899 0.01 . 1 . . . . 295 TYR HA . 19499 1 491 . 1 1 93 93 TYR C C 13 175.818 0.05 . 1 . . . . 295 TYR C . 19499 1 492 . 1 1 93 93 TYR CA C 13 62.412 0.1 . 1 . . . . 295 TYR CA . 19499 1 493 . 1 1 93 93 TYR N N 15 128.238 0.05 . 1 . . . . 295 TYR N . 19499 1 494 . 1 1 94 94 GLU H H 1 8.968 0.01 . 1 . . . . 296 GLU H . 19499 1 495 . 1 1 94 94 GLU HA H 1 3.751 0.01 . 1 . . . . 296 GLU HA . 19499 1 496 . 1 1 94 94 GLU C C 13 180.006 0.05 . 1 . . . . 296 GLU C . 19499 1 497 . 1 1 94 94 GLU CA C 13 59.93 0.1 . 1 . . . . 296 GLU CA . 19499 1 498 . 1 1 94 94 GLU CB C 13 28.837 0.1 . 1 . . . . 296 GLU CB . 19499 1 499 . 1 1 94 94 GLU N N 15 115.995 0.05 . 1 . . . . 296 GLU N . 19499 1 500 . 1 1 95 95 GLU H H 1 7.193 0.01 . 1 . . . . 297 GLU H . 19499 1 501 . 1 1 95 95 GLU HA H 1 4.117 0.01 . 1 . . . . 297 GLU HA . 19499 1 502 . 1 1 95 95 GLU C C 13 177.768 0.05 . 1 . . . . 297 GLU C . 19499 1 503 . 1 1 95 95 GLU CA C 13 58.985 0.1 . 1 . . . . 297 GLU CA . 19499 1 504 . 1 1 95 95 GLU CB C 13 29.08 0.1 . 1 . . . . 297 GLU CB . 19499 1 505 . 1 1 95 95 GLU N N 15 119.723 0.05 . 1 . . . . 297 GLU N . 19499 1 506 . 1 1 96 96 ALA H H 1 7.924 0.01 . 1 . . . . 298 ALA H . 19499 1 507 . 1 1 96 96 ALA HA H 1 4.396 0.01 . 1 . . . . 298 ALA HA . 19499 1 508 . 1 1 96 96 ALA C C 13 178.996 0.05 . 1 . . . . 298 ALA C . 19499 1 509 . 1 1 96 96 ALA CA C 13 54.461 0.1 . 1 . . . . 298 ALA CA . 19499 1 510 . 1 1 96 96 ALA CB C 13 18.259 0.1 . 1 . . . . 298 ALA CB . 19499 1 511 . 1 1 96 96 ALA N N 15 122.536 0.05 . 1 . . . . 298 ALA N . 19499 1 512 . 1 1 97 97 ALA H H 1 8.734 0.01 . 1 . . . . 299 ALA H . 19499 1 513 . 1 1 97 97 ALA HA H 1 3.638 0.01 . 1 . . . . 299 ALA HA . 19499 1 514 . 1 1 97 97 ALA C C 13 181.102 0.05 . 1 . . . . 299 ALA C . 19499 1 515 . 1 1 97 97 ALA CA C 13 54.934 0.1 . 1 . . . . 299 ALA CA . 19499 1 516 . 1 1 97 97 ALA CB C 13 17.135 0.1 . 1 . . . . 299 ALA CB . 19499 1 517 . 1 1 97 97 ALA N N 15 118.531 0.05 . 1 . . . . 299 ALA N . 19499 1 518 . 1 1 98 98 MET H H 1 7.6 0.01 . 1 . . . . 300 MET H . 19499 1 519 . 1 1 98 98 MET HA H 1 4.171 0.01 . 1 . . . . 300 MET HA . 19499 1 520 . 1 1 98 98 MET C C 13 178.254 0.05 . 1 . . . . 300 MET C . 19499 1 521 . 1 1 98 98 MET CA C 13 57.835 0.1 . 1 . . . . 300 MET CA . 19499 1 522 . 1 1 98 98 MET CB C 13 32.275 0.1 . 1 . . . . 300 MET CB . 19499 1 523 . 1 1 98 98 MET N N 15 119.209 0.05 . 1 . . . . 300 MET N . 19499 1 524 . 1 1 99 99 ALA H H 1 8.009 0.01 . 1 . . . . 301 ALA H . 19499 1 525 . 1 1 99 99 ALA HA H 1 2.075 0.01 . 1 . . . . 301 ALA HA . 19499 1 526 . 1 1 99 99 ALA C C 13 179.115 0.05 . 1 . . . . 301 ALA C . 19499 1 527 . 1 1 99 99 ALA CA C 13 54.738 0.1 . 1 . . . . 301 ALA CA . 19499 1 528 . 1 1 99 99 ALA CB C 13 18.211 0.1 . 1 . . . . 301 ALA CB . 19499 1 529 . 1 1 99 99 ALA N N 15 125.256 0.05 . 1 . . . . 301 ALA N . 19499 1 530 . 1 1 100 100 ILE H H 1 8.095 0.01 . 1 . . . . 302 ILE H . 19499 1 531 . 1 1 100 100 ILE HA H 1 3.08 0.01 . 1 . . . . 302 ILE HA . 19499 1 532 . 1 1 100 100 ILE C C 13 177.435 0.05 . 1 . . . . 302 ILE C . 19499 1 533 . 1 1 100 100 ILE CA C 13 65.846 0.1 . 1 . . . . 302 ILE CA . 19499 1 534 . 1 1 100 100 ILE CB C 13 38.466 0.1 . 1 . . . . 302 ILE CB . 19499 1 535 . 1 1 100 100 ILE N N 15 117.422 0.05 . 1 . . . . 302 ILE N . 19499 1 536 . 1 1 101 101 ALA H H 1 7.607 0.01 . 1 . . . . 303 ALA H . 19499 1 537 . 1 1 101 101 ALA HA H 1 4.025 0.01 . 1 . . . . 303 ALA HA . 19499 1 538 . 1 1 101 101 ALA C C 13 180.277 0.05 . 1 . . . . 303 ALA C . 19499 1 539 . 1 1 101 101 ALA CA C 13 54.486 0.1 . 1 . . . . 303 ALA CA . 19499 1 540 . 1 1 101 101 ALA CB C 13 18.159 0.1 . 1 . . . . 303 ALA CB . 19499 1 541 . 1 1 101 101 ALA N N 15 118.88 0.05 . 1 . . . . 303 ALA N . 19499 1 542 . 1 1 102 102 SER H H 1 7.446 0.01 . 1 . . . . 304 SER H . 19499 1 543 . 1 1 102 102 SER HA H 1 4.354 0.01 . 1 . . . . 304 SER HA . 19499 1 544 . 1 1 102 102 SER C C 13 175.4 0.05 . 1 . . . . 304 SER C . 19499 1 545 . 1 1 102 102 SER CA C 13 60.891 0.1 . 1 . . . . 304 SER CA . 19499 1 546 . 1 1 102 102 SER CB C 13 64.467 0.1 . 1 . . . . 304 SER CB . 19499 1 547 . 1 1 102 102 SER N N 15 110.819 0.05 . 1 . . . . 304 SER N . 19499 1 548 . 1 1 103 103 LEU H H 1 8.135 0.01 . 1 . . . . 305 LEU H . 19499 1 549 . 1 1 103 103 LEU HA H 1 4.301 0.01 . 1 . . . . 305 LEU HA . 19499 1 550 . 1 1 103 103 LEU C C 13 177.307 0.05 . 1 . . . . 305 LEU C . 19499 1 551 . 1 1 103 103 LEU CA C 13 55.164 0.1 . 1 . . . . 305 LEU CA . 19499 1 552 . 1 1 103 103 LEU N N 15 118.837 0.05 . 1 . . . . 305 LEU N . 19499 1 553 . 1 1 104 104 ASN H H 1 8.091 0.01 . 1 . . . . 306 ASN H . 19499 1 554 . 1 1 104 104 ASN HA H 1 4.373 0.01 . 1 . . . . 306 ASN HA . 19499 1 555 . 1 1 104 104 ASN HD21 H 1 6.953 0.01 . 2 . . . . 306 ASN HD21 . 19499 1 556 . 1 1 104 104 ASN HD22 H 1 7.714 0.01 . 2 . . . . 306 ASN HD22 . 19499 1 557 . 1 1 104 104 ASN C C 13 176.611 0.05 . 1 . . . . 306 ASN C . 19499 1 558 . 1 1 104 104 ASN CA C 13 56.427 0.1 . 1 . . . . 306 ASN CA . 19499 1 559 . 1 1 104 104 ASN N N 15 117.603 0.05 . 1 . . . . 306 ASN N . 19499 1 560 . 1 1 104 104 ASN ND2 N 15 114.234 0.05 . 1 . . . . 306 ASN ND2 . 19499 1 561 . 1 1 105 105 GLY H H 1 8.62 0.01 . 1 . . . . 307 GLY H . 19499 1 562 . 1 1 105 105 GLY HA2 H 1 3.56 0.01 . 2 . . . . 307 GLY HA2 . 19499 1 563 . 1 1 105 105 GLY HA3 H 1 4.258 0.01 . 2 . . . . 307 GLY HA3 . 19499 1 564 . 1 1 105 105 GLY C C 13 173.216 0.05 . 1 . . . . 307 GLY C . 19499 1 565 . 1 1 105 105 GLY CA C 13 45.545 0.1 . 1 . . . . 307 GLY CA . 19499 1 566 . 1 1 105 105 GLY N N 15 117.525 0.05 . 1 . . . . 307 GLY N . 19499 1 567 . 1 1 106 106 TYR H H 1 7.976 0.01 . 1 . . . . 308 TYR H . 19499 1 568 . 1 1 106 106 TYR HA H 1 4.113 0.01 . 1 . . . . 308 TYR HA . 19499 1 569 . 1 1 106 106 TYR C C 13 174.027 0.05 . 1 . . . . 308 TYR C . 19499 1 570 . 1 1 106 106 TYR CA C 13 58.774 0.1 . 1 . . . . 308 TYR CA . 19499 1 571 . 1 1 106 106 TYR CB C 13 40.191 0.1 . 1 . . . . 308 TYR CB . 19499 1 572 . 1 1 106 106 TYR N N 15 123.549 0.05 . 1 . . . . 308 TYR N . 19499 1 573 . 1 1 107 107 ARG H H 1 7.564 0.01 . 1 . . . . 309 ARG H . 19499 1 574 . 1 1 107 107 ARG HA H 1 4.706 0.01 . 1 . . . . 309 ARG HA . 19499 1 575 . 1 1 107 107 ARG C C 13 173.458 0.05 . 1 . . . . 309 ARG C . 19499 1 576 . 1 1 107 107 ARG CA C 13 55.185 0.1 . 1 . . . . 309 ARG CA . 19499 1 577 . 1 1 107 107 ARG CB C 13 30.153 0.1 . 1 . . . . 309 ARG CB . 19499 1 578 . 1 1 107 107 ARG N N 15 127.37 0.05 . 1 . . . . 309 ARG N . 19499 1 579 . 1 1 108 108 LEU H H 1 8.526 0.01 . 1 . . . . 310 LEU H . 19499 1 580 . 1 1 108 108 LEU HA H 1 4.632 0.01 . 1 . . . . 310 LEU HA . 19499 1 581 . 1 1 108 108 LEU C C 13 176.602 0.05 . 1 . . . . 310 LEU C . 19499 1 582 . 1 1 108 108 LEU CA C 13 53.158 0.1 . 1 . . . . 310 LEU CA . 19499 1 583 . 1 1 108 108 LEU N N 15 130.196 0.05 . 1 . . . . 310 LEU N . 19499 1 584 . 1 1 109 109 GLY H H 1 8.993 0.01 . 1 . . . . 311 GLY H . 19499 1 585 . 1 1 109 109 GLY HA2 H 1 3.616 0.01 . 2 . . . . 311 GLY HA2 . 19499 1 586 . 1 1 109 109 GLY HA3 H 1 3.985 0.01 . 2 . . . . 311 GLY HA3 . 19499 1 587 . 1 1 109 109 GLY C C 13 174.248 0.05 . 1 . . . . 311 GLY C . 19499 1 588 . 1 1 109 109 GLY CA C 13 47.404 0.1 . 1 . . . . 311 GLY CA . 19499 1 589 . 1 1 109 109 GLY N N 15 118.344 0.05 . 1 . . . . 311 GLY N . 19499 1 590 . 1 1 110 110 ASP H H 1 8.71 0.01 . 1 . . . . 312 ASP H . 19499 1 591 . 1 1 110 110 ASP HA H 1 4.563 0.01 . 1 . . . . 312 ASP HA . 19499 1 592 . 1 1 110 110 ASP C C 13 175.504 0.05 . 1 . . . . 312 ASP C . 19499 1 593 . 1 1 110 110 ASP CA C 13 53.873 0.1 . 1 . . . . 312 ASP CA . 19499 1 594 . 1 1 110 110 ASP CB C 13 40.82 0.1 . 1 . . . . 312 ASP CB . 19499 1 595 . 1 1 110 110 ASP N N 15 125.122 0.05 . 1 . . . . 312 ASP N . 19499 1 596 . 1 1 111 111 LYS H H 1 7.703 0.01 . 1 . . . . 313 LYS H . 19499 1 597 . 1 1 111 111 LYS HA H 1 4.491 0.01 . 1 . . . . 313 LYS HA . 19499 1 598 . 1 1 111 111 LYS C C 13 174.705 0.05 . 1 . . . . 313 LYS C . 19499 1 599 . 1 1 111 111 LYS CA C 13 54.396 0.1 . 1 . . . . 313 LYS CA . 19499 1 600 . 1 1 111 111 LYS CB C 13 35.253 0.1 . 1 . . . . 313 LYS CB . 19499 1 601 . 1 1 111 111 LYS N N 15 119.756 0.05 . 1 . . . . 313 LYS N . 19499 1 602 . 1 1 112 112 ILE H H 1 8.116 0.01 . 1 . . . . 314 ILE H . 19499 1 603 . 1 1 112 112 ILE HA H 1 4.295 0.01 . 1 . . . . 314 ILE HA . 19499 1 604 . 1 1 112 112 ILE C C 13 176.994 0.05 . 1 . . . . 314 ILE C . 19499 1 605 . 1 1 112 112 ILE CA C 13 59.758 0.1 . 1 . . . . 314 ILE CA . 19499 1 606 . 1 1 112 112 ILE CB C 13 37.402 0.1 . 1 . . . . 314 ILE CB . 19499 1 607 . 1 1 112 112 ILE N N 15 120.723 0.05 . 1 . . . . 314 ILE N . 19499 1 608 . 1 1 113 113 LEU H H 1 9.223 0.01 . 1 . . . . 315 LEU H . 19499 1 609 . 1 1 113 113 LEU HA H 1 4.313 0.01 . 1 . . . . 315 LEU HA . 19499 1 610 . 1 1 113 113 LEU C C 13 177.583 0.05 . 1 . . . . 315 LEU C . 19499 1 611 . 1 1 113 113 LEU CA C 13 55.72 0.1 . 1 . . . . 315 LEU CA . 19499 1 612 . 1 1 113 113 LEU N N 15 128.705 0.05 . 1 . . . . 315 LEU N . 19499 1 613 . 1 1 114 114 GLN H H 1 8.176 0.01 . 1 . . . . 316 GLN H . 19499 1 614 . 1 1 114 114 GLN HA H 1 5.022 0.01 . 1 . . . . 316 GLN HA . 19499 1 615 . 1 1 114 114 GLN HE21 H 1 6.823 0.01 . 2 . . . . 316 GLN HE21 . 19499 1 616 . 1 1 114 114 GLN HE22 H 1 7.462 0.01 . 2 . . . . 316 GLN HE22 . 19499 1 617 . 1 1 114 114 GLN C C 13 174.732 0.05 . 1 . . . . 316 GLN C . 19499 1 618 . 1 1 114 114 GLN CA C 13 54.305 0.1 . 1 . . . . 316 GLN CA . 19499 1 619 . 1 1 114 114 GLN CB C 13 30.576 0.1 . 1 . . . . 316 GLN CB . 19499 1 620 . 1 1 114 114 GLN CG C 13 33.614 0.1 . 1 . . . . 316 GLN CG . 19499 1 621 . 1 1 114 114 GLN CD C 13 180.232 0.1 . 1 . . . . 316 GLN CD . 19499 1 622 . 1 1 114 114 GLN N N 15 121.722 0.05 . 1 . . . . 316 GLN N . 19499 1 623 . 1 1 114 114 GLN NE2 N 15 111.297 0.05 . 1 . . . . 316 GLN NE2 . 19499 1 624 . 1 1 115 115 VAL H H 1 8.838 0.01 . 1 . . . . 317 VAL H . 19499 1 625 . 1 1 115 115 VAL HA H 1 5.167 0.01 . 1 . . . . 317 VAL HA . 19499 1 626 . 1 1 115 115 VAL C C 13 174.235 0.05 . 1 . . . . 317 VAL C . 19499 1 627 . 1 1 115 115 VAL CA C 13 60.905 0.1 . 1 . . . . 317 VAL CA . 19499 1 628 . 1 1 115 115 VAL CB C 13 34.959 0.1 . 1 . . . . 317 VAL CB . 19499 1 629 . 1 1 115 115 VAL N N 15 125.813 0.05 . 1 . . . . 317 VAL N . 19499 1 630 . 1 1 116 116 SER H H 1 8.908 0.01 . 1 . . . . 318 SER H . 19499 1 631 . 1 1 116 116 SER HA H 1 4.645 0.01 . 1 . . . . 318 SER HA . 19499 1 632 . 1 1 116 116 SER C C 13 173.436 0.05 . 1 . . . . 318 SER C . 19499 1 633 . 1 1 116 116 SER CA C 13 57.325 0.1 . 1 . . . . 318 SER CA . 19499 1 634 . 1 1 116 116 SER CB C 13 65.742 0.1 . 1 . . . . 318 SER CB . 19499 1 635 . 1 1 116 116 SER N N 15 118.109 0.05 . 1 . . . . 318 SER N . 19499 1 636 . 1 1 117 117 PHE H H 1 8.86 0.01 . 1 . . . . 319 PHE H . 19499 1 637 . 1 1 117 117 PHE HA H 1 4.994 0.01 . 1 . . . . 319 PHE HA . 19499 1 638 . 1 1 117 117 PHE C C 13 177.369 0.05 . 1 . . . . 319 PHE C . 19499 1 639 . 1 1 117 117 PHE CA C 13 60.342 0.1 . 1 . . . . 319 PHE CA . 19499 1 640 . 1 1 117 117 PHE N N 15 120.293 0.05 . 1 . . . . 319 PHE N . 19499 1 641 . 1 1 118 118 LYS H H 1 9.054 0.01 . 1 . . . . 320 LYS H . 19499 1 642 . 1 1 118 118 LYS HA H 1 4.266 0.01 . 1 . . . . 320 LYS HA . 19499 1 643 . 1 1 118 118 LYS C C 13 175.75 0.05 . 1 . . . . 320 LYS C . 19499 1 644 . 1 1 118 118 LYS CA C 13 56.996 0.1 . 1 . . . . 320 LYS CA . 19499 1 645 . 1 1 118 118 LYS N N 15 123.561 0.05 . 1 . . . . 320 LYS N . 19499 1 646 . 1 1 119 119 THR H H 1 8.317 0.01 . 1 . . . . 321 THR H . 19499 1 647 . 1 1 119 119 THR N N 15 116.93 0.05 . 1 . . . . 321 THR N . 19499 1 648 . 1 1 120 120 ASN HD21 H 1 6.861 0.01 . 2 . . . . 322 ASN HD21 . 19499 1 649 . 1 1 120 120 ASN HD22 H 1 7.546 0.01 . 2 . . . . 322 ASN HD22 . 19499 1 650 . 1 1 120 120 ASN CA C 13 53.431 0.1 . 1 . . . . 322 ASN CA . 19499 1 651 . 1 1 120 120 ASN CB C 13 38.801 0.1 . 1 . . . . 322 ASN CB . 19499 1 652 . 1 1 120 120 ASN CG C 13 176.907 0.1 . 1 . . . . 322 ASN CG . 19499 1 653 . 1 1 120 120 ASN ND2 N 15 112.747 0.05 . 1 . . . . 322 ASN ND2 . 19499 1 654 . 1 1 123 123 HIS HA H 1 4.573 0.01 . 1 . . . . 325 HIS HA . 19499 1 655 . 1 1 123 123 HIS C C 13 174.103 0.05 . 1 . . . . 325 HIS C . 19499 1 656 . 1 1 123 123 HIS CA C 13 56.241 0.1 . 1 . . . . 325 HIS CA . 19499 1 657 . 1 1 123 123 HIS CB C 13 30.929 0.1 . 1 . . . . 325 HIS CB . 19499 1 658 . 1 1 124 124 LYS H H 1 7.84 0.01 . 1 . . . . 326 LYS H . 19499 1 659 . 1 1 124 124 LYS C C 13 181.106 0.05 . 1 . . . . 326 LYS C . 19499 1 660 . 1 1 124 124 LYS CA C 13 57.743 0.1 . 1 . . . . 326 LYS CA . 19499 1 661 . 1 1 124 124 LYS N N 15 127.253 0.05 . 1 . . . . 326 LYS N . 19499 1 stop_ save_