data_50548 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 50548 _Entry.Title ; 1H, 13C, and 15N NMR chemical shift assignment of the complex formed by the first EPEC EspF repeat and N-WASP GTPase binding domain ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2020-11-06 _Entry.Accession_date 2020-11-06 _Entry.Last_release_date 2020-11-06 _Entry.Original_release_date 2020-11-06 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Mikael Karjalainen . . . 0000-0003-3154-7570 50548 2 Maarit Hellman . . . . 50548 3 Helena Tossavainen . . . 0000-0002-1609-1651 50548 4 Perttu Permi . . . 0000-0002-6281-1138 50548 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 2 50548 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 381 50548 '15N chemical shifts' 114 50548 '1H chemical shifts' 720 50548 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 . . 2021-04-19 2020-11-06 update BMRB 'update entry citation' 50548 1 . . 2021-03-15 2020-11-06 original author 'original release' 50548 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 50548 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 33475933 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; 1H, 13C, and 15N NMR chemical shift assignment of the complex formed by the first EPEC EspF repeat and N-WASP GTPase binding domain ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full . _Citation.Journal_volume 15 _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 213 _Citation.Page_last 217 _Citation.Year 2021 _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 Mikael Karjalainen . . . . 50548 1 2 Maarit Hellman . . . . 50548 1 3 Helena Tossavainen . . . . 50548 1 4 Perttu Permi . . . . 50548 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'EPEC EspF, intrinsically disordered protein, N-WASP, resonance assignments, solution NMR, type III secretion system' 50548 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 50548 _Assembly.ID 1 _Assembly.Name 'complex formed by first EPEC EspF repeat and N-WASP GTPase binding domain' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 12163.58 _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 'EspF repeat' 1 $entity_1 . . yes 'partially disordered' no no . . . 50548 1 2 'N-WASP GBD' 2 $entity_2 . . yes native no no . . . 50548 1 stop_ loop_ _Assembly_interaction.ID _Assembly_interaction.Entity_assembly_ID_1 _Assembly_interaction.Entity_assembly_ID_2 _Assembly_interaction.Mol_interaction_type _Assembly_interaction.Entry_ID _Assembly_interaction.Assembly_ID 1 1 2 'Slow exchange' 50548 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 50548 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GPSRPAPPPPTSGQASGASR PLPPIAQALKDHLAAYELSK ASETVNFK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details ; This is the first proline-rich repeat of the LEE-encoded effector EspF (EspF) protein from enteropathogenic Escherichia coli (EPEC). N-terminal glycine residue 72 is a cloning artifact. Numbering scheme for residues 73-119 follows numbering from UniProtKB entry B7UM88. ; _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 48 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 4909.54 _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 72 GLY . 50548 1 2 73 PRO . 50548 1 3 74 SER . 50548 1 4 75 ARG . 50548 1 5 76 PRO . 50548 1 6 77 ALA . 50548 1 7 78 PRO . 50548 1 8 79 PRO . 50548 1 9 80 PRO . 50548 1 10 81 PRO . 50548 1 11 82 THR . 50548 1 12 83 SER . 50548 1 13 84 GLY . 50548 1 14 85 GLN . 50548 1 15 86 ALA . 50548 1 16 87 SER . 50548 1 17 88 GLY . 50548 1 18 89 ALA . 50548 1 19 90 SER . 50548 1 20 91 ARG . 50548 1 21 92 PRO . 50548 1 22 93 LEU . 50548 1 23 94 PRO . 50548 1 24 95 PRO . 50548 1 25 96 ILE . 50548 1 26 97 ALA . 50548 1 27 98 GLN . 50548 1 28 99 ALA . 50548 1 29 100 LEU . 50548 1 30 101 LYS . 50548 1 31 102 ASP . 50548 1 32 103 HIS . 50548 1 33 104 LEU . 50548 1 34 105 ALA . 50548 1 35 106 ALA . 50548 1 36 107 TYR . 50548 1 37 108 GLU . 50548 1 38 109 LEU . 50548 1 39 110 SER . 50548 1 40 111 LYS . 50548 1 41 112 ALA . 50548 1 42 113 SER . 50548 1 43 114 GLU . 50548 1 44 115 THR . 50548 1 45 116 VAL . 50548 1 46 117 ASN . 50548 1 47 118 PHE . 50548 1 48 119 LYS . 50548 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 50548 1 . PRO 2 2 50548 1 . SER 3 3 50548 1 . ARG 4 4 50548 1 . PRO 5 5 50548 1 . ALA 6 6 50548 1 . PRO 7 7 50548 1 . PRO 8 8 50548 1 . PRO 9 9 50548 1 . PRO 10 10 50548 1 . THR 11 11 50548 1 . SER 12 12 50548 1 . GLY 13 13 50548 1 . GLN 14 14 50548 1 . ALA 15 15 50548 1 . SER 16 16 50548 1 . GLY 17 17 50548 1 . ALA 18 18 50548 1 . SER 19 19 50548 1 . ARG 20 20 50548 1 . PRO 21 21 50548 1 . LEU 22 22 50548 1 . PRO 23 23 50548 1 . PRO 24 24 50548 1 . ILE 25 25 50548 1 . ALA 26 26 50548 1 . GLN 27 27 50548 1 . ALA 28 28 50548 1 . LEU 29 29 50548 1 . LYS 30 30 50548 1 . ASP 31 31 50548 1 . HIS 32 32 50548 1 . LEU 33 33 50548 1 . ALA 34 34 50548 1 . ALA 35 35 50548 1 . TYR 36 36 50548 1 . GLU 37 37 50548 1 . LEU 38 38 50548 1 . SER 39 39 50548 1 . LYS 40 40 50548 1 . ALA 41 41 50548 1 . SER 42 42 50548 1 . GLU 43 43 50548 1 . THR 44 44 50548 1 . VAL 45 45 50548 1 . ASN 46 46 50548 1 . PHE 47 47 50548 1 . LYS 48 48 50548 1 stop_ save_ save_entity_2 _Entity.Sf_category entity _Entity.Sf_framecode entity_2 _Entity.Entry_ID 50548 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name entity_2 _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 ; GSNFQHIGHVGWDPNTGFDL NNLDPELKNLFDMCGISEAQ LKDRETSKVIYDFIEKTGGV EAVKN ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details ; This is the GTPase binding domain (GBD) of the Neural Wiskott-Aldrich syndrome protein (N-WASP) from Homo sapiens. N-terminal glycine residue 206 is a cloning artifact. Numbering scheme for residues 207-270 follows numbering from UniProtKB entry O00401. ; _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 65 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 7254.04 _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 1 206 GLY . 50548 2 2 207 SER . 50548 2 3 208 ASN . 50548 2 4 209 PHE . 50548 2 5 210 GLN . 50548 2 6 211 HIS . 50548 2 7 212 ILE . 50548 2 8 213 GLY . 50548 2 9 214 HIS . 50548 2 10 215 VAL . 50548 2 11 216 GLY . 50548 2 12 217 TRP . 50548 2 13 218 ASP . 50548 2 14 219 PRO . 50548 2 15 220 ASN . 50548 2 16 221 THR . 50548 2 17 222 GLY . 50548 2 18 223 PHE . 50548 2 19 224 ASP . 50548 2 20 225 LEU . 50548 2 21 226 ASN . 50548 2 22 227 ASN . 50548 2 23 228 LEU . 50548 2 24 229 ASP . 50548 2 25 230 PRO . 50548 2 26 231 GLU . 50548 2 27 232 LEU . 50548 2 28 233 LYS . 50548 2 29 234 ASN . 50548 2 30 235 LEU . 50548 2 31 236 PHE . 50548 2 32 237 ASP . 50548 2 33 238 MET . 50548 2 34 239 CYS . 50548 2 35 240 GLY . 50548 2 36 241 ILE . 50548 2 37 242 SER . 50548 2 38 243 GLU . 50548 2 39 244 ALA . 50548 2 40 245 GLN . 50548 2 41 246 LEU . 50548 2 42 247 LYS . 50548 2 43 248 ASP . 50548 2 44 249 ARG . 50548 2 45 250 GLU . 50548 2 46 251 THR . 50548 2 47 252 SER . 50548 2 48 253 LYS . 50548 2 49 254 VAL . 50548 2 50 255 ILE . 50548 2 51 256 TYR . 50548 2 52 257 ASP . 50548 2 53 258 PHE . 50548 2 54 259 ILE . 50548 2 55 260 GLU . 50548 2 56 261 LYS . 50548 2 57 262 THR . 50548 2 58 263 GLY . 50548 2 59 264 GLY . 50548 2 60 265 VAL . 50548 2 61 266 GLU . 50548 2 62 267 ALA . 50548 2 63 268 VAL . 50548 2 64 269 LYS . 50548 2 65 270 ASN . 50548 2 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 50548 2 . SER 2 2 50548 2 . ASN 3 3 50548 2 . PHE 4 4 50548 2 . GLN 5 5 50548 2 . HIS 6 6 50548 2 . ILE 7 7 50548 2 . GLY 8 8 50548 2 . HIS 9 9 50548 2 . VAL 10 10 50548 2 . GLY 11 11 50548 2 . TRP 12 12 50548 2 . ASP 13 13 50548 2 . PRO 14 14 50548 2 . ASN 15 15 50548 2 . THR 16 16 50548 2 . GLY 17 17 50548 2 . PHE 18 18 50548 2 . ASP 19 19 50548 2 . LEU 20 20 50548 2 . ASN 21 21 50548 2 . ASN 22 22 50548 2 . LEU 23 23 50548 2 . ASP 24 24 50548 2 . PRO 25 25 50548 2 . GLU 26 26 50548 2 . LEU 27 27 50548 2 . LYS 28 28 50548 2 . ASN 29 29 50548 2 . LEU 30 30 50548 2 . PHE 31 31 50548 2 . ASP 32 32 50548 2 . MET 33 33 50548 2 . CYS 34 34 50548 2 . GLY 35 35 50548 2 . ILE 36 36 50548 2 . SER 37 37 50548 2 . GLU 38 38 50548 2 . ALA 39 39 50548 2 . GLN 40 40 50548 2 . LEU 41 41 50548 2 . LYS 42 42 50548 2 . ASP 43 43 50548 2 . ARG 44 44 50548 2 . GLU 45 45 50548 2 . THR 46 46 50548 2 . SER 47 47 50548 2 . LYS 48 48 50548 2 . VAL 49 49 50548 2 . ILE 50 50 50548 2 . TYR 51 51 50548 2 . ASP 52 52 50548 2 . PHE 53 53 50548 2 . ILE 54 54 50548 2 . GLU 55 55 50548 2 . LYS 56 56 50548 2 . THR 57 57 50548 2 . GLY 58 58 50548 2 . GLY 59 59 50548 2 . VAL 60 60 50548 2 . GLU 61 61 50548 2 . ALA 62 62 50548 2 . VAL 63 63 50548 2 . LYS 64 64 50548 2 . ASN 65 65 50548 2 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 50548 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 562 organism . 'Escherichia coli O127:H6' 'E. coli' . . Bacteria . Escherichia coli E2348/69 . . . . . . . . . . espF . 50548 1 2 2 $entity_2 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 50548 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 50548 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . plasmid . . pET15b . . . 50548 1 2 2 $entity_2 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . plasmid . . pET15b . . . 50548 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 50548 _Sample.ID 1 _Sample.Name '15N13C EspF 0.3 mM + NWASP 0.36 mM' _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '96% H2O/4% D2O, 20 mM sodium phosphate, 50 mM NaCl, pH 6.5' _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 'LEE-encoded effector EspF (EspF)' '[U-13C; U-15N]' . . 1 $entity_1 . . 0.3 . . mM . . . . 50548 1 2 'Neural Wiskott-Aldrich syndrome protein (N-WASP) GTPase binding domain (GBD)' 'natural abundance' . . 2 $entity_2 . . 0.36 . . mM . . . . 50548 1 3 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 50548 1 4 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 50548 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 50548 _Sample.ID 2 _Sample.Name '15N13C EspF 0.45 mM + NWASP 0.5 mM' _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '96% H2O/4% D2O, 20 mM sodium phosphate, 50 mM NaCl, pH 6.5' _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 'LEE-encoded effector EspF (EspF)' '[U-13C; U-15N]' . . 1 $entity_1 . . 0.45 . . mM . . . . 50548 2 2 'Neural Wiskott-Aldrich syndrome protein (N-WASP) GTPase binding domain (GBD)' 'natural abundance' . . 2 $entity_2 . . 0.5 . . mM . . . . 50548 2 3 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 50548 2 4 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 50548 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 50548 _Sample.ID 3 _Sample.Name '15N13C NWASP 0.5 mM + EspF 0.6 mM' _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '96% H2O/4% D2O, 20 mM sodium phosphate, 50 mM NaCl, pH 6.5' _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 'Neural Wiskott-Aldrich syndrome protein (N-WASP) GTPase binding domain (GBD)' '[U-13C; U-15N]' . . 2 $entity_2 . . 0.5 . . mM . . . . 50548 3 2 'LEE-encoded effector EspF (EspF)' 'natural abundance' . . 1 $entity_1 . . 0.6 . . mM . . . . 50548 3 3 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 50548 3 4 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 50548 3 stop_ save_ save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 50548 _Sample.ID 4 _Sample.Name '15N13C NWASP 0.5 mM + EspF 1.0 mM' _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '96% H2O/4% D2O, 20 mM sodium phosphate, 50 mM NaCl, pH 6.5' _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 'Neural Wiskott-Aldrich syndrome protein (N-WASP) GTPase binding domain (GBD)' '[U-13C; U-15N]' . . 2 $entity_2 . . 0.5 . . mM . . . . 50548 4 2 'LEE-encoded effector EspF (EspF)' 'natural abundance' . . 1 $entity_1 . . 1.0 . . mM . . . . 50548 4 3 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 50548 4 4 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 50548 4 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 50548 _Sample_condition_list.ID 1 _Sample_condition_list.Name '15N13C EspF 0.3 mM + NWASP 0.36 mM sample conditions' _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 . pH 50548 1 temperature 303 . K 50548 1 stop_ save_ save_sample_conditions_2 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_2 _Sample_condition_list.Entry_ID 50548 _Sample_condition_list.ID 2 _Sample_condition_list.Name '15N13C EspF 0.45 mM + NWASP 0.5 mM sample conditions' _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 6.5 . pH 50548 2 temperature 298 . K 50548 2 stop_ save_ save_sample_conditions_3 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_3 _Sample_condition_list.Entry_ID 50548 _Sample_condition_list.ID 3 _Sample_condition_list.Name '15N13C NWASP 0.5 mM + EspF 0.6 mM sample conditions' _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 6.5 . pH 50548 3 temperature 298 . K 50548 3 stop_ save_ save_sample_conditions_4 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_4 _Sample_condition_list.Entry_ID 50548 _Sample_condition_list.ID 4 _Sample_condition_list.Name '15N13C NWASP 0.5 mM + EspF 1.0 mM sample conditions' _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 6.5 . pH 50548 4 temperature 298 . K 50548 4 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 50548 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version 3.5 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 50548 1 processing . 50548 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 50548 _Software.ID 2 _Software.Type . _Software.Name ANALYSIS _Software.Version 2.4.2 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 50548 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 50548 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Bruker 800' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 50548 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D CON' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50548 1 2 '2D 1H-15N HSQC' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50548 1 3 '3D 1H-15N NOESY' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50548 1 4 '3D 1H-13C NOESY' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50548 1 5 '3D HNCACB' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50548 1 6 '3D HN(CO)CACB' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50548 1 7 '3D (H)CC(CO)NH' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50548 1 8 '3D H(CC)(CO)NH' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50548 1 9 '3D HC(C)H-COSY' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50548 1 10 '2D (HB)CB(CGCD)HD' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50548 1 11 '2D (HB)CB(CGCDCE)HE' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50548 1 12 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50548 1 13 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50548 1 14 '3D HBHA(CO)NH' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50548 1 15 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50548 1 16 '2D 1H-15N HSQC' no . . . . . . . . . . . . 3 $sample_3 isotropic . . 3 $sample_conditions_3 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50548 1 17 '3D HNCACB' no . . . . . . . . . . . . 3 $sample_3 isotropic . . 3 $sample_conditions_3 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50548 1 18 '3D HN(CO)CACB' no . . . . . . . . . . . . 3 $sample_3 isotropic . . 3 $sample_conditions_3 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50548 1 19 '3D 1H-15N NOESY' no . . . . . . . . . . . . 3 $sample_3 isotropic . . 3 $sample_conditions_3 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50548 1 20 '3D (H)CC(CO)NH' no . . . . . . . . . . . . 3 $sample_3 isotropic . . 3 $sample_conditions_3 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50548 1 21 '3D H(CC)(CO)NH' no . . . . . . . . . . . . 3 $sample_3 isotropic . . 3 $sample_conditions_3 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50548 1 22 '3D HC(C)H-COSY' no . . . . . . . . . . . . 3 $sample_3 isotropic . . 3 $sample_conditions_3 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50548 1 23 '2D (HB)CB(CGCD)HD' no . . . . . . . . . . . . 3 $sample_3 isotropic . . 3 $sample_conditions_3 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50548 1 24 '2D (HB)CB(CGCDCE)HE' no . . . . . . . . . . . . 3 $sample_3 isotropic . . 3 $sample_conditions_3 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50548 1 25 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . . . 3 $sample_3 isotropic . . 3 $sample_conditions_3 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50548 1 26 '3D HBHA(CO)NH' no . . . . . . . . . . . . 3 $sample_3 isotropic . . 3 $sample_conditions_3 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50548 1 27 '2D CON' no . . . . . . . . . . . . 3 $sample_3 isotropic . . 3 $sample_conditions_3 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50548 1 28 '3D 1H-13C NOESY' no . . . . . . . . . . . . 4 $sample_4 isotropic . . 4 $sample_conditions_4 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50548 1 29 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . . . 4 $sample_4 isotropic . . 4 $sample_conditions_4 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50548 1 30 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . . . 4 $sample_4 isotropic . . 4 $sample_conditions_4 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50548 1 31 '3D (H)CCH3-TOCSY' no . . . . . . . . . . . . 4 $sample_4 isotropic . . 4 $sample_conditions_4 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50548 1 32 '3D HC(C)H-COSY' no . . . . . . . . . . . . 4 $sample_4 isotropic . . 4 $sample_conditions_4 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50548 1 33 '4D (HACA)CONCAHA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50548 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 50548 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name 'Chemical shift reference set' _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 . . . . . 50548 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 50548 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 50548 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 50548 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name assigned_chem_shift_list_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 $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D CON' . . . 50548 1 3 '2D 1H-15N HSQC' . . . 50548 1 4 '3D 1H-15N NOESY' . . . 50548 1 5 '3D 1H-13C NOESY' . . . 50548 1 6 '3D HNCACB' . . . 50548 1 7 '3D HN(CO)CACB' . . . 50548 1 8 '3D (H)CC(CO)NH' . . . 50548 1 9 '3D H(CC)(CO)NH' . . . 50548 1 10 '3D HC(C)H-COSY' . . . 50548 1 11 '2D (HB)CB(CGCD)HD' . . . 50548 1 12 '2D (HB)CB(CGCDCE)HE' . . . 50548 1 13 '2D 1H-13C HSQC aromatic' . . . 50548 1 14 '2D 1H-13C HSQC aliphatic' . . . 50548 1 15 '3D HBHA(CO)NH' . . . 50548 1 16 '3D 1H-13C NOESY aromatic' . . . 50548 1 33 '4D (HACA)CONCAHA' . . . 50548 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 50548 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 1 1 GLY HA2 H 1 3.982 0.000 . 1 . . . . . 72 GLY HA2 . 50548 1 2 . 1 . 1 1 1 GLY HA3 H 1 3.982 0.000 . 1 . . . . . 72 GLY HA3 . 50548 1 3 . 1 . 1 1 1 GLY CA C 13 43.417 0.000 . 1 . . . . . 72 GLY CA . 50548 1 4 . 1 . 1 2 2 PRO HA H 1 4.519 0.000 . 1 . . . . . 73 PRO HA . 50548 1 5 . 1 . 1 2 2 PRO HB2 H 1 1.964 0.000 . 2 . . . . . 73 PRO HB2 . 50548 1 6 . 1 . 1 2 2 PRO HB3 H 1 2.322 0.000 . 2 . . . . . 73 PRO HB3 . 50548 1 7 . 1 . 1 2 2 PRO HD2 H 1 3.582 0.003 . 1 . . . . . 73 PRO HD2 . 50548 1 8 . 1 . 1 2 2 PRO HD3 H 1 3.582 0.003 . 1 . . . . . 73 PRO HD3 . 50548 1 9 . 1 . 1 2 2 PRO C C 13 177.033 0.018 . 1 . . . . . 73 PRO C . 50548 1 10 . 1 . 1 2 2 PRO CA C 13 62.772 0.171 . 1 . . . . . 73 PRO CA . 50548 1 11 . 1 . 1 2 2 PRO CB C 13 32.353 0.025 . 1 . . . . . 73 PRO CB . 50548 1 12 . 1 . 1 2 2 PRO CG C 13 26.944 0.000 . 1 . . . . . 73 PRO CG . 50548 1 13 . 1 . 1 2 2 PRO CD C 13 49.770 0.086 . 1 . . . . . 73 PRO CD . 50548 1 14 . 1 . 1 3 3 SER H H 1 8.547 0.002 . 1 . . . . . 74 SER H . 50548 1 15 . 1 . 1 3 3 SER HA H 1 4.452 0.027 . 1 . . . . . 74 SER HA . 50548 1 16 . 1 . 1 3 3 SER HB2 H 1 3.855 0.000 . 1 . . . . . 74 SER HB2 . 50548 1 17 . 1 . 1 3 3 SER HB3 H 1 3.855 0.000 . 1 . . . . . 74 SER HB3 . 50548 1 18 . 1 . 1 3 3 SER C C 13 174.119 0.009 . 1 . . . . . 74 SER C . 50548 1 19 . 1 . 1 3 3 SER CA C 13 58.513 0.126 . 1 . . . . . 74 SER CA . 50548 1 20 . 1 . 1 3 3 SER CB C 13 63.910 0.045 . 1 . . . . . 74 SER CB . 50548 1 21 . 1 . 1 3 3 SER N N 15 116.980 0.046 . 1 . . . . . 74 SER N . 50548 1 22 . 1 . 1 4 4 ARG H H 1 8.352 0.001 . 1 . . . . . 75 ARG H . 50548 1 23 . 1 . 1 4 4 ARG HA H 1 4.721 0.000 . 1 . . . . . 75 ARG HA . 50548 1 24 . 1 . 1 4 4 ARG CA C 13 53.999 0.058 . 1 . . . . . 75 ARG CA . 50548 1 25 . 1 . 1 4 4 ARG CB C 13 30.528 0.000 . 1 . . . . . 75 ARG CB . 50548 1 26 . 1 . 1 4 4 ARG N N 15 123.819 0.026 . 1 . . . . . 75 ARG N . 50548 1 27 . 1 . 1 5 5 PRO HA H 1 4.402 0.001 . 1 . . . . . 76 PRO HA . 50548 1 28 . 1 . 1 5 5 PRO HB2 H 1 1.879 0.000 . 2 . . . . . 76 PRO HB2 . 50548 1 29 . 1 . 1 5 5 PRO HB3 H 1 2.265 0.000 . 2 . . . . . 76 PRO HB3 . 50548 1 30 . 1 . 1 5 5 PRO HG2 H 1 1.945 0.000 . 1 . . . . . 76 PRO HG2 . 50548 1 31 . 1 . 1 5 5 PRO HG3 H 1 1.945 0.000 . 1 . . . . . 76 PRO HG3 . 50548 1 32 . 1 . 1 5 5 PRO HD2 H 1 3.615 0.000 . 2 . . . . . 76 PRO HD2 . 50548 1 33 . 1 . 1 5 5 PRO HD3 H 1 3.794 0.000 . 2 . . . . . 76 PRO HD3 . 50548 1 34 . 1 . 1 5 5 PRO C C 13 176.234 0.031 . 1 . . . . . 76 PRO C . 50548 1 35 . 1 . 1 5 5 PRO CA C 13 62.875 0.082 . 1 . . . . . 76 PRO CA . 50548 1 36 . 1 . 1 5 5 PRO CB C 13 32.122 0.031 . 1 . . . . . 76 PRO CB . 50548 1 37 . 1 . 1 5 5 PRO CG C 13 27.257 0.000 . 1 . . . . . 76 PRO CG . 50548 1 38 . 1 . 1 5 5 PRO CD C 13 50.625 0.010 . 1 . . . . . 76 PRO CD . 50548 1 39 . 1 . 1 6 6 ALA H H 1 8.397 0.001 . 1 . . . . . 77 ALA H . 50548 1 40 . 1 . 1 6 6 ALA HA H 1 4.586 0.018 . 1 . . . . . 77 ALA HA . 50548 1 41 . 1 . 1 6 6 ALA HB1 H 1 1.354 0.002 . 1 . . . . . 77 ALA HB1 . 50548 1 42 . 1 . 1 6 6 ALA HB2 H 1 1.354 0.002 . 1 . . . . . 77 ALA HB2 . 50548 1 43 . 1 . 1 6 6 ALA HB3 H 1 1.354 0.002 . 1 . . . . . 77 ALA HB3 . 50548 1 44 . 1 . 1 6 6 ALA CA C 13 50.378 0.039 . 1 . . . . . 77 ALA CA . 50548 1 45 . 1 . 1 6 6 ALA CB C 13 18.173 0.094 . 1 . . . . . 77 ALA CB . 50548 1 46 . 1 . 1 6 6 ALA N N 15 125.987 0.027 . 1 . . . . . 77 ALA N . 50548 1 47 . 1 . 1 7 7 PRO HA H 1 4.682 0.004 . 1 . . . . . 78 PRO HA . 50548 1 48 . 1 . 1 7 7 PRO C C 13 174.246 0.002 . 1 . . . . . 78 PRO C . 50548 1 49 . 1 . 1 7 7 PRO N N 15 136.761 0.011 . 1 . . . . . 78 PRO N . 50548 1 50 . 1 . 1 8 8 PRO HA H 1 4.692 0.001 . 1 . . . . . 79 PRO HA . 50548 1 51 . 1 . 1 8 8 PRO C C 13 174.268 0.012 . 1 . . . . . 79 PRO C . 50548 1 52 . 1 . 1 8 8 PRO N N 15 136.588 0.003 . 1 . . . . . 79 PRO N . 50548 1 53 . 1 . 1 9 9 PRO HA H 1 4.698 0.000 . 1 . . . . . 80 PRO HA . 50548 1 54 . 1 . 1 9 9 PRO C C 13 174.971 0.003 . 1 . . . . . 80 PRO C . 50548 1 55 . 1 . 1 9 9 PRO N N 15 136.196 0.008 . 1 . . . . . 80 PRO N . 50548 1 56 . 1 . 1 10 10 PRO HA H 1 4.521 0.003 . 1 . . . . . 81 PRO HA . 50548 1 57 . 1 . 1 10 10 PRO HB2 H 1 1.963 0.004 . 2 . . . . . 81 PRO HB2 . 50548 1 58 . 1 . 1 10 10 PRO HB3 H 1 2.323 0.005 . 2 . . . . . 81 PRO HB3 . 50548 1 59 . 1 . 1 10 10 PRO HG2 H 1 2.034 0.004 . 1 . . . . . 81 PRO HG2 . 50548 1 60 . 1 . 1 10 10 PRO HG3 H 1 2.034 0.004 . 1 . . . . . 81 PRO HG3 . 50548 1 61 . 1 . 1 10 10 PRO HD2 H 1 3.701 0.000 . 2 . . . . . 81 PRO HD2 . 50548 1 62 . 1 . 1 10 10 PRO HD3 H 1 3.823 0.000 . 2 . . . . . 81 PRO HD3 . 50548 1 63 . 1 . 1 10 10 PRO C C 13 177.387 0.026 . 1 . . . . . 81 PRO C . 50548 1 64 . 1 . 1 10 10 PRO CA C 13 63.002 0.102 . 1 . . . . . 81 PRO CA . 50548 1 65 . 1 . 1 10 10 PRO CB C 13 32.220 0.097 . 1 . . . . . 81 PRO CB . 50548 1 66 . 1 . 1 10 10 PRO CG C 13 27.337 0.044 . 1 . . . . . 81 PRO CG . 50548 1 67 . 1 . 1 10 10 PRO CD C 13 50.471 0.000 . 1 . . . . . 81 PRO CD . 50548 1 68 . 1 . 1 10 10 PRO N N 15 135.129 0.003 . 1 . . . . . 81 PRO N . 50548 1 69 . 1 . 1 11 11 THR H H 1 8.211 0.001 . 1 . . . . . 82 THR H . 50548 1 70 . 1 . 1 11 11 THR HA H 1 4.358 0.017 . 1 . . . . . 82 THR HA . 50548 1 71 . 1 . 1 11 11 THR HB H 1 4.270 0.002 . 1 . . . . . 82 THR HB . 50548 1 72 . 1 . 1 11 11 THR HG21 H 1 1.229 0.002 . 1 . . . . . 82 THR HG21 . 50548 1 73 . 1 . 1 11 11 THR HG22 H 1 1.229 0.002 . 1 . . . . . 82 THR HG22 . 50548 1 74 . 1 . 1 11 11 THR HG23 H 1 1.229 0.002 . 1 . . . . . 82 THR HG23 . 50548 1 75 . 1 . 1 11 11 THR CA C 13 61.862 0.119 . 1 . . . . . 82 THR CA . 50548 1 76 . 1 . 1 11 11 THR CB C 13 69.878 0.073 . 1 . . . . . 82 THR CB . 50548 1 77 . 1 . 1 11 11 THR CG2 C 13 21.679 0.074 . 1 . . . . . 82 THR CG2 . 50548 1 78 . 1 . 1 11 11 THR N N 15 113.780 0.021 . 1 . . . . . 82 THR N . 50548 1 79 . 1 . 1 12 12 SER H H 1 8.321 0.001 . 1 . . . . . 83 SER H . 50548 1 80 . 1 . 1 12 12 SER HA H 1 4.479 0.001 . 1 . . . . . 83 SER HA . 50548 1 81 . 1 . 1 12 12 SER HB2 H 1 3.907 0.008 . 1 . . . . . 83 SER HB2 . 50548 1 82 . 1 . 1 12 12 SER HB3 H 1 3.907 0.008 . 1 . . . . . 83 SER HB3 . 50548 1 83 . 1 . 1 12 12 SER CA C 13 58.570 0.116 . 1 . . . . . 83 SER CA . 50548 1 84 . 1 . 1 12 12 SER CB C 13 63.957 0.053 . 1 . . . . . 83 SER CB . 50548 1 85 . 1 . 1 12 12 SER N N 15 117.684 0.012 . 1 . . . . . 83 SER N . 50548 1 86 . 1 . 1 13 13 GLY H H 1 8.470 0.002 . 1 . . . . . 84 GLY H . 50548 1 87 . 1 . 1 13 13 GLY HA2 H 1 3.980 0.002 . 1 . . . . . 84 GLY HA2 . 50548 1 88 . 1 . 1 13 13 GLY HA3 H 1 3.980 0.002 . 1 . . . . . 84 GLY HA3 . 50548 1 89 . 1 . 1 13 13 GLY C C 13 174.239 0.021 . 1 . . . . . 84 GLY C . 50548 1 90 . 1 . 1 13 13 GLY CA C 13 45.562 0.124 . 1 . . . . . 84 GLY CA . 50548 1 91 . 1 . 1 13 13 GLY N N 15 110.819 0.014 . 1 . . . . . 84 GLY N . 50548 1 92 . 1 . 1 14 14 GLN H H 1 8.214 0.001 . 1 . . . . . 85 GLN H . 50548 1 93 . 1 . 1 14 14 GLN HA H 1 4.344 0.018 . 1 . . . . . 85 GLN HA . 50548 1 94 . 1 . 1 14 14 GLN HB2 H 1 1.978 0.005 . 2 . . . . . 85 GLN HB2 . 50548 1 95 . 1 . 1 14 14 GLN HB3 H 1 2.106 0.004 . 2 . . . . . 85 GLN HB3 . 50548 1 96 . 1 . 1 14 14 GLN HG2 H 1 2.353 0.002 . 1 . . . . . 85 GLN HG2 . 50548 1 97 . 1 . 1 14 14 GLN HG3 H 1 2.353 0.002 . 1 . . . . . 85 GLN HG3 . 50548 1 98 . 1 . 1 14 14 GLN HE21 H 1 7.533 0.000 . 1 . . . . . 85 GLN HE21 . 50548 1 99 . 1 . 1 14 14 GLN HE22 H 1 6.858 0.000 . 1 . . . . . 85 GLN HE22 . 50548 1 100 . 1 . 1 14 14 GLN C C 13 175.997 0.016 . 1 . . . . . 85 GLN C . 50548 1 101 . 1 . 1 14 14 GLN CA C 13 55.880 0.089 . 1 . . . . . 85 GLN CA . 50548 1 102 . 1 . 1 14 14 GLN CB C 13 29.732 0.144 . 1 . . . . . 85 GLN CB . 50548 1 103 . 1 . 1 14 14 GLN CG C 13 33.805 0.074 . 1 . . . . . 85 GLN CG . 50548 1 104 . 1 . 1 14 14 GLN N N 15 119.868 0.013 . 1 . . . . . 85 GLN N . 50548 1 105 . 1 . 1 14 14 GLN NE2 N 15 112.391 0.004 . 1 . . . . . 85 GLN NE2 . 50548 1 106 . 1 . 1 15 15 ALA H H 1 8.431 0.001 . 1 . . . . . 86 ALA H . 50548 1 107 . 1 . 1 15 15 ALA HA H 1 4.365 0.025 . 1 . . . . . 86 ALA HA . 50548 1 108 . 1 . 1 15 15 ALA HB1 H 1 1.411 0.002 . 1 . . . . . 86 ALA HB1 . 50548 1 109 . 1 . 1 15 15 ALA HB2 H 1 1.411 0.002 . 1 . . . . . 86 ALA HB2 . 50548 1 110 . 1 . 1 15 15 ALA HB3 H 1 1.411 0.002 . 1 . . . . . 86 ALA HB3 . 50548 1 111 . 1 . 1 15 15 ALA C C 13 177.908 0.002 . 1 . . . . . 86 ALA C . 50548 1 112 . 1 . 1 15 15 ALA CA C 13 52.824 0.129 . 1 . . . . . 86 ALA CA . 50548 1 113 . 1 . 1 15 15 ALA CB C 13 19.161 0.065 . 1 . . . . . 86 ALA CB . 50548 1 114 . 1 . 1 15 15 ALA N N 15 125.554 0.012 . 1 . . . . . 86 ALA N . 50548 1 115 . 1 . 1 16 16 SER H H 1 8.329 0.001 . 1 . . . . . 87 SER H . 50548 1 116 . 1 . 1 16 16 SER HA H 1 4.447 0.027 . 1 . . . . . 87 SER HA . 50548 1 117 . 1 . 1 16 16 SER HB2 H 1 3.890 0.000 . 1 . . . . . 87 SER HB2 . 50548 1 118 . 1 . 1 16 16 SER HB3 H 1 3.890 0.000 . 1 . . . . . 87 SER HB3 . 50548 1 119 . 1 . 1 16 16 SER CA C 13 58.563 0.128 . 1 . . . . . 87 SER CA . 50548 1 120 . 1 . 1 16 16 SER CB C 13 63.935 0.035 . 1 . . . . . 87 SER CB . 50548 1 121 . 1 . 1 16 16 SER N N 15 115.248 0.010 . 1 . . . . . 87 SER N . 50548 1 122 . 1 . 1 17 17 GLY H H 1 8.421 0.002 . 1 . . . . . 88 GLY H . 50548 1 123 . 1 . 1 17 17 GLY HA2 H 1 3.980 0.002 . 1 . . . . . 88 GLY HA2 . 50548 1 124 . 1 . 1 17 17 GLY HA3 H 1 3.980 0.002 . 1 . . . . . 88 GLY HA3 . 50548 1 125 . 1 . 1 17 17 GLY C C 13 173.978 0.022 . 1 . . . . . 88 GLY C . 50548 1 126 . 1 . 1 17 17 GLY CA C 13 45.536 0.136 . 1 . . . . . 88 GLY CA . 50548 1 127 . 1 . 1 17 17 GLY N N 15 110.987 0.017 . 1 . . . . . 88 GLY N . 50548 1 128 . 1 . 1 18 18 ALA H H 1 8.122 0.001 . 1 . . . . . 89 ALA H . 50548 1 129 . 1 . 1 18 18 ALA HA H 1 4.368 0.020 . 1 . . . . . 89 ALA HA . 50548 1 130 . 1 . 1 18 18 ALA HB1 H 1 1.398 0.004 . 1 . . . . . 89 ALA HB1 . 50548 1 131 . 1 . 1 18 18 ALA HB2 H 1 1.398 0.004 . 1 . . . . . 89 ALA HB2 . 50548 1 132 . 1 . 1 18 18 ALA HB3 H 1 1.398 0.004 . 1 . . . . . 89 ALA HB3 . 50548 1 133 . 1 . 1 18 18 ALA CA C 13 52.604 0.108 . 1 . . . . . 89 ALA CA . 50548 1 134 . 1 . 1 18 18 ALA CB C 13 19.456 0.062 . 1 . . . . . 89 ALA CB . 50548 1 135 . 1 . 1 18 18 ALA N N 15 123.610 0.010 . 1 . . . . . 89 ALA N . 50548 1 136 . 1 . 1 19 19 SER H H 1 8.272 0.001 . 1 . . . . . 90 SER H . 50548 1 137 . 1 . 1 19 19 SER HA H 1 4.437 0.002 . 1 . . . . . 90 SER HA . 50548 1 138 . 1 . 1 19 19 SER HB2 H 1 3.864 0.002 . 1 . . . . . 90 SER HB2 . 50548 1 139 . 1 . 1 19 19 SER HB3 H 1 3.864 0.002 . 1 . . . . . 90 SER HB3 . 50548 1 140 . 1 . 1 19 19 SER CA C 13 58.417 0.148 . 1 . . . . . 90 SER CA . 50548 1 141 . 1 . 1 19 19 SER CB C 13 63.895 0.078 . 1 . . . . . 90 SER CB . 50548 1 142 . 1 . 1 19 19 SER N N 15 115.274 0.013 . 1 . . . . . 90 SER N . 50548 1 143 . 1 . 1 20 20 ARG H H 1 8.264 0.002 . 1 . . . . . 91 ARG H . 50548 1 144 . 1 . 1 20 20 ARG HA H 1 4.664 0.005 . 1 . . . . . 91 ARG HA . 50548 1 145 . 1 . 1 20 20 ARG HB2 H 1 1.739 0.007 . 2 . . . . . 91 ARG HB2 . 50548 1 146 . 1 . 1 20 20 ARG HB3 H 1 1.853 0.004 . 2 . . . . . 91 ARG HB3 . 50548 1 147 . 1 . 1 20 20 ARG HG2 H 1 1.674 0.003 . 1 . . . . . 91 ARG HG2 . 50548 1 148 . 1 . 1 20 20 ARG HG3 H 1 1.674 0.003 . 1 . . . . . 91 ARG HG3 . 50548 1 149 . 1 . 1 20 20 ARG HD2 H 1 3.216 0.002 . 1 . . . . . 91 ARG HD2 . 50548 1 150 . 1 . 1 20 20 ARG HD3 H 1 3.216 0.002 . 1 . . . . . 91 ARG HD3 . 50548 1 151 . 1 . 1 20 20 ARG CA C 13 53.940 0.092 . 1 . . . . . 91 ARG CA . 50548 1 152 . 1 . 1 20 20 ARG CB C 13 30.427 0.045 . 1 . . . . . 91 ARG CB . 50548 1 153 . 1 . 1 20 20 ARG CG C 13 26.679 0.042 . 1 . . . . . 91 ARG CG . 50548 1 154 . 1 . 1 20 20 ARG CD C 13 43.519 0.051 . 1 . . . . . 91 ARG CD . 50548 1 155 . 1 . 1 20 20 ARG N N 15 123.821 0.019 . 1 . . . . . 91 ARG N . 50548 1 156 . 1 . 1 21 21 PRO HA H 1 4.433 0.007 . 1 . . . . . 92 PRO HA . 50548 1 157 . 1 . 1 21 21 PRO HB2 H 1 1.891 0.005 . 2 . . . . . 92 PRO HB2 . 50548 1 158 . 1 . 1 21 21 PRO HB3 H 1 2.272 0.003 . 2 . . . . . 92 PRO HB3 . 50548 1 159 . 1 . 1 21 21 PRO HG2 H 1 2.033 0.008 . 1 . . . . . 92 PRO HG2 . 50548 1 160 . 1 . 1 21 21 PRO HG3 H 1 2.033 0.008 . 1 . . . . . 92 PRO HG3 . 50548 1 161 . 1 . 1 21 21 PRO HD2 H 1 3.625 0.003 . 2 . . . . . 92 PRO HD2 . 50548 1 162 . 1 . 1 21 21 PRO HD3 H 1 3.824 0.003 . 2 . . . . . 92 PRO HD3 . 50548 1 163 . 1 . 1 21 21 PRO CA C 13 62.871 0.081 . 1 . . . . . 92 PRO CA . 50548 1 164 . 1 . 1 21 21 PRO CB C 13 32.079 0.050 . 1 . . . . . 92 PRO CB . 50548 1 165 . 1 . 1 21 21 PRO CG C 13 27.338 0.034 . 1 . . . . . 92 PRO CG . 50548 1 166 . 1 . 1 21 21 PRO CD C 13 50.433 0.078 . 1 . . . . . 92 PRO CD . 50548 1 167 . 1 . 1 22 22 LEU H H 1 8.457 0.001 . 1 . . . . . 93 LEU H . 50548 1 168 . 1 . 1 22 22 LEU HA H 1 4.602 0.004 . 1 . . . . . 93 LEU HA . 50548 1 169 . 1 . 1 22 22 LEU HB2 H 1 1.428 0.006 . 2 . . . . . 93 LEU HB2 . 50548 1 170 . 1 . 1 22 22 LEU HB3 H 1 1.637 0.005 . 2 . . . . . 93 LEU HB3 . 50548 1 171 . 1 . 1 22 22 LEU HG H 1 1.790 0.004 . 1 . . . . . 93 LEU HG . 50548 1 172 . 1 . 1 22 22 LEU HD11 H 1 0.885 0.003 . 2 . . . . . 93 LEU HD11 . 50548 1 173 . 1 . 1 22 22 LEU HD12 H 1 0.885 0.003 . 2 . . . . . 93 LEU HD12 . 50548 1 174 . 1 . 1 22 22 LEU HD13 H 1 0.885 0.003 . 2 . . . . . 93 LEU HD13 . 50548 1 175 . 1 . 1 22 22 LEU HD21 H 1 0.857 0.002 . 2 . . . . . 93 LEU HD21 . 50548 1 176 . 1 . 1 22 22 LEU HD22 H 1 0.857 0.002 . 2 . . . . . 93 LEU HD22 . 50548 1 177 . 1 . 1 22 22 LEU HD23 H 1 0.857 0.002 . 2 . . . . . 93 LEU HD23 . 50548 1 178 . 1 . 1 22 22 LEU CA C 13 53.039 0.073 . 1 . . . . . 93 LEU CA . 50548 1 179 . 1 . 1 22 22 LEU CB C 13 42.373 0.070 . 1 . . . . . 93 LEU CB . 50548 1 180 . 1 . 1 22 22 LEU CG C 13 27.280 0.048 . 1 . . . . . 93 LEU CG . 50548 1 181 . 1 . 1 22 22 LEU CD1 C 13 23.759 0.052 . 2 . . . . . 93 LEU CD1 . 50548 1 182 . 1 . 1 22 22 LEU CD2 C 13 25.664 0.047 . 2 . . . . . 93 LEU CD2 . 50548 1 183 . 1 . 1 22 22 LEU N N 15 123.029 0.036 . 1 . . . . . 93 LEU N . 50548 1 184 . 1 . 1 23 23 PRO HA H 1 4.796 0.003 . 1 . . . . . 94 PRO HA . 50548 1 185 . 1 . 1 23 23 PRO HB2 H 1 2.009 0.005 . 2 . . . . . 94 PRO HB2 . 50548 1 186 . 1 . 1 23 23 PRO HB3 H 1 2.518 0.004 . 2 . . . . . 94 PRO HB3 . 50548 1 187 . 1 . 1 23 23 PRO HG2 H 1 2.015 0.001 . 2 . . . . . 94 PRO HG2 . 50548 1 188 . 1 . 1 23 23 PRO HG3 H 1 2.151 0.001 . 2 . . . . . 94 PRO HG3 . 50548 1 189 . 1 . 1 23 23 PRO HD2 H 1 3.604 0.008 . 2 . . . . . 94 PRO HD2 . 50548 1 190 . 1 . 1 23 23 PRO HD3 H 1 3.946 0.001 . 2 . . . . . 94 PRO HD3 . 50548 1 191 . 1 . 1 23 23 PRO CA C 13 61.652 0.023 . 1 . . . . . 94 PRO CA . 50548 1 192 . 1 . 1 23 23 PRO CB C 13 30.888 0.073 . 1 . . . . . 94 PRO CB . 50548 1 193 . 1 . 1 23 23 PRO CG C 13 27.752 0.109 . 1 . . . . . 94 PRO CG . 50548 1 194 . 1 . 1 23 23 PRO CD C 13 50.561 0.033 . 1 . . . . . 94 PRO CD . 50548 1 195 . 1 . 1 24 24 PRO HA H 1 4.266 0.002 . 1 . . . . . 95 PRO HA . 50548 1 196 . 1 . 1 24 24 PRO HB2 H 1 2.013 0.002 . 2 . . . . . 95 PRO HB2 . 50548 1 197 . 1 . 1 24 24 PRO HB3 H 1 2.411 0.004 . 2 . . . . . 95 PRO HB3 . 50548 1 198 . 1 . 1 24 24 PRO HG2 H 1 2.082 0.000 . 2 . . . . . 95 PRO HG2 . 50548 1 199 . 1 . 1 24 24 PRO HG3 H 1 2.221 0.002 . 2 . . . . . 95 PRO HG3 . 50548 1 200 . 1 . 1 24 24 PRO HD2 H 1 3.822 0.000 . 2 . . . . . 95 PRO HD2 . 50548 1 201 . 1 . 1 24 24 PRO HD3 H 1 3.922 0.003 . 2 . . . . . 95 PRO HD3 . 50548 1 202 . 1 . 1 24 24 PRO CA C 13 66.600 0.063 . 1 . . . . . 95 PRO CA . 50548 1 203 . 1 . 1 24 24 PRO CB C 13 32.068 0.072 . 1 . . . . . 95 PRO CB . 50548 1 204 . 1 . 1 24 24 PRO CG C 13 27.644 0.071 . 1 . . . . . 95 PRO CG . 50548 1 205 . 1 . 1 24 24 PRO CD C 13 50.359 0.054 . 1 . . . . . 95 PRO CD . 50548 1 206 . 1 . 1 25 25 ILE H H 1 8.762 0.004 . 1 . . . . . 96 ILE H . 50548 1 207 . 1 . 1 25 25 ILE HA H 1 4.160 0.003 . 1 . . . . . 96 ILE HA . 50548 1 208 . 1 . 1 25 25 ILE HB H 1 1.937 0.002 . 1 . . . . . 96 ILE HB . 50548 1 209 . 1 . 1 25 25 ILE HG12 H 1 1.269 0.004 . 2 . . . . . 96 ILE HG12 . 50548 1 210 . 1 . 1 25 25 ILE HG13 H 1 1.596 0.005 . 2 . . . . . 96 ILE HG13 . 50548 1 211 . 1 . 1 25 25 ILE HG21 H 1 0.915 0.002 . 1 . . . . . 96 ILE HG21 . 50548 1 212 . 1 . 1 25 25 ILE HG22 H 1 0.915 0.002 . 1 . . . . . 96 ILE HG22 . 50548 1 213 . 1 . 1 25 25 ILE HG23 H 1 0.915 0.002 . 1 . . . . . 96 ILE HG23 . 50548 1 214 . 1 . 1 25 25 ILE HD11 H 1 0.866 0.003 . 1 . . . . . 96 ILE HD11 . 50548 1 215 . 1 . 1 25 25 ILE HD12 H 1 0.866 0.003 . 1 . . . . . 96 ILE HD12 . 50548 1 216 . 1 . 1 25 25 ILE HD13 H 1 0.866 0.003 . 1 . . . . . 96 ILE HD13 . 50548 1 217 . 1 . 1 25 25 ILE CA C 13 63.477 0.079 . 1 . . . . . 96 ILE CA . 50548 1 218 . 1 . 1 25 25 ILE CB C 13 37.152 0.120 . 1 . . . . . 96 ILE CB . 50548 1 219 . 1 . 1 25 25 ILE CG1 C 13 29.175 0.079 . 1 . . . . . 96 ILE CG1 . 50548 1 220 . 1 . 1 25 25 ILE CG2 C 13 17.702 0.058 . 1 . . . . . 96 ILE CG2 . 50548 1 221 . 1 . 1 25 25 ILE CD1 C 13 13.380 0.059 . 1 . . . . . 96 ILE CD1 . 50548 1 222 . 1 . 1 25 25 ILE N N 15 117.658 0.033 . 1 . . . . . 96 ILE N . 50548 1 223 . 1 . 1 26 26 ALA H H 1 7.078 0.005 . 1 . . . . . 97 ALA H . 50548 1 224 . 1 . 1 26 26 ALA HA H 1 3.970 0.003 . 1 . . . . . 97 ALA HA . 50548 1 225 . 1 . 1 26 26 ALA HB1 H 1 1.470 0.001 . 1 . . . . . 97 ALA HB1 . 50548 1 226 . 1 . 1 26 26 ALA HB2 H 1 1.470 0.001 . 1 . . . . . 97 ALA HB2 . 50548 1 227 . 1 . 1 26 26 ALA HB3 H 1 1.470 0.001 . 1 . . . . . 97 ALA HB3 . 50548 1 228 . 1 . 1 26 26 ALA C C 13 174.844 0.025 . 1 . . . . . 97 ALA C . 50548 1 229 . 1 . 1 26 26 ALA CA C 13 54.318 0.073 . 1 . . . . . 97 ALA CA . 50548 1 230 . 1 . 1 26 26 ALA CB C 13 19.668 0.095 . 1 . . . . . 97 ALA CB . 50548 1 231 . 1 . 1 26 26 ALA N N 15 122.685 0.038 . 1 . . . . . 97 ALA N . 50548 1 232 . 1 . 1 27 27 GLN H H 1 8.094 0.002 . 1 . . . . . 98 GLN H . 50548 1 233 . 1 . 1 27 27 GLN HA H 1 3.721 0.003 . 1 . . . . . 98 GLN HA . 50548 1 234 . 1 . 1 27 27 GLN HB2 H 1 2.063 0.003 . 1 . . . . . 98 GLN HB2 . 50548 1 235 . 1 . 1 27 27 GLN HB3 H 1 2.063 0.003 . 1 . . . . . 98 GLN HB3 . 50548 1 236 . 1 . 1 27 27 GLN HG2 H 1 2.368 0.005 . 1 . . . . . 98 GLN HG2 . 50548 1 237 . 1 . 1 27 27 GLN HG3 H 1 2.368 0.005 . 1 . . . . . 98 GLN HG3 . 50548 1 238 . 1 . 1 27 27 GLN HE21 H 1 7.922 0.000 . 1 . . . . . 98 GLN HE21 . 50548 1 239 . 1 . 1 27 27 GLN HE22 H 1 6.868 0.000 . 1 . . . . . 98 GLN HE22 . 50548 1 240 . 1 . 1 27 27 GLN CA C 13 58.436 0.077 . 1 . . . . . 98 GLN CA . 50548 1 241 . 1 . 1 27 27 GLN CB C 13 28.582 0.129 . 1 . . . . . 98 GLN CB . 50548 1 242 . 1 . 1 27 27 GLN CG C 13 33.566 0.063 . 1 . . . . . 98 GLN CG . 50548 1 243 . 1 . 1 27 27 GLN N N 15 117.595 0.030 . 1 . . . . . 98 GLN N . 50548 1 244 . 1 . 1 27 27 GLN NE2 N 15 116.228 0.002 . 1 . . . . . 98 GLN NE2 . 50548 1 245 . 1 . 1 28 28 ALA H H 1 8.226 0.002 . 1 . . . . . 99 ALA H . 50548 1 246 . 1 . 1 28 28 ALA HA H 1 4.285 0.003 . 1 . . . . . 99 ALA HA . 50548 1 247 . 1 . 1 28 28 ALA HB1 H 1 1.733 0.003 . 1 . . . . . 99 ALA HB1 . 50548 1 248 . 1 . 1 28 28 ALA HB2 H 1 1.733 0.003 . 1 . . . . . 99 ALA HB2 . 50548 1 249 . 1 . 1 28 28 ALA HB3 H 1 1.733 0.003 . 1 . . . . . 99 ALA HB3 . 50548 1 250 . 1 . 1 28 28 ALA CA C 13 55.140 0.133 . 1 . . . . . 99 ALA CA . 50548 1 251 . 1 . 1 28 28 ALA CB C 13 18.029 0.085 . 1 . . . . . 99 ALA CB . 50548 1 252 . 1 . 1 28 28 ALA N N 15 119.586 0.042 . 1 . . . . . 99 ALA N . 50548 1 253 . 1 . 1 29 29 LEU H H 1 8.081 0.003 . 1 . . . . . 100 LEU H . 50548 1 254 . 1 . 1 29 29 LEU HA H 1 3.104 0.004 . 1 . . . . . 100 LEU HA . 50548 1 255 . 1 . 1 29 29 LEU HB2 H 1 1.114 0.004 . 2 . . . . . 100 LEU HB2 . 50548 1 256 . 1 . 1 29 29 LEU HB3 H 1 2.025 0.006 . 2 . . . . . 100 LEU HB3 . 50548 1 257 . 1 . 1 29 29 LEU HG H 1 1.382 0.003 . 1 . . . . . 100 LEU HG . 50548 1 258 . 1 . 1 29 29 LEU HD11 H 1 0.612 0.002 . 2 . . . . . 100 LEU HD11 . 50548 1 259 . 1 . 1 29 29 LEU HD12 H 1 0.612 0.002 . 2 . . . . . 100 LEU HD12 . 50548 1 260 . 1 . 1 29 29 LEU HD13 H 1 0.612 0.002 . 2 . . . . . 100 LEU HD13 . 50548 1 261 . 1 . 1 29 29 LEU HD21 H 1 0.943 0.001 . 2 . . . . . 100 LEU HD21 . 50548 1 262 . 1 . 1 29 29 LEU HD22 H 1 0.943 0.001 . 2 . . . . . 100 LEU HD22 . 50548 1 263 . 1 . 1 29 29 LEU HD23 H 1 0.943 0.001 . 2 . . . . . 100 LEU HD23 . 50548 1 264 . 1 . 1 29 29 LEU CA C 13 57.875 0.095 . 1 . . . . . 100 LEU CA . 50548 1 265 . 1 . 1 29 29 LEU CB C 13 39.757 0.035 . 1 . . . . . 100 LEU CB . 50548 1 266 . 1 . 1 29 29 LEU CG C 13 27.270 0.028 . 1 . . . . . 100 LEU CG . 50548 1 267 . 1 . 1 29 29 LEU CD1 C 13 22.038 0.047 . 2 . . . . . 100 LEU CD1 . 50548 1 268 . 1 . 1 29 29 LEU CD2 C 13 26.067 0.055 . 2 . . . . . 100 LEU CD2 . 50548 1 269 . 1 . 1 29 29 LEU N N 15 122.475 0.066 . 1 . . . . . 100 LEU N . 50548 1 270 . 1 . 1 30 30 LYS H H 1 8.370 0.002 . 1 . . . . . 101 LYS H . 50548 1 271 . 1 . 1 30 30 LYS HA H 1 3.832 0.003 . 1 . . . . . 101 LYS HA . 50548 1 272 . 1 . 1 30 30 LYS HB2 H 1 1.869 0.010 . 2 . . . . . 101 LYS HB2 . 50548 1 273 . 1 . 1 30 30 LYS HB3 H 1 2.024 0.005 . 2 . . . . . 101 LYS HB3 . 50548 1 274 . 1 . 1 30 30 LYS HG2 H 1 1.450 0.007 . 2 . . . . . 101 LYS HG2 . 50548 1 275 . 1 . 1 30 30 LYS HG3 H 1 1.747 0.001 . 2 . . . . . 101 LYS HG3 . 50548 1 276 . 1 . 1 30 30 LYS HD2 H 1 1.604 0.000 . 2 . . . . . 101 LYS HD2 . 50548 1 277 . 1 . 1 30 30 LYS HD3 H 1 1.674 0.000 . 2 . . . . . 101 LYS HD3 . 50548 1 278 . 1 . 1 30 30 LYS HE2 H 1 3.045 0.000 . 1 . . . . . 101 LYS HE2 . 50548 1 279 . 1 . 1 30 30 LYS HE3 H 1 3.045 0.000 . 1 . . . . . 101 LYS HE3 . 50548 1 280 . 1 . 1 30 30 LYS CA C 13 60.734 0.094 . 1 . . . . . 101 LYS CA . 50548 1 281 . 1 . 1 30 30 LYS CB C 13 32.468 0.096 . 1 . . . . . 101 LYS CB . 50548 1 282 . 1 . 1 30 30 LYS CG C 13 25.148 0.082 . 1 . . . . . 101 LYS CG . 50548 1 283 . 1 . 1 30 30 LYS CD C 13 30.192 0.076 . 1 . . . . . 101 LYS CD . 50548 1 284 . 1 . 1 30 30 LYS CE C 13 41.794 0.000 . 1 . . . . . 101 LYS CE . 50548 1 285 . 1 . 1 30 30 LYS N N 15 120.106 0.027 . 1 . . . . . 101 LYS N . 50548 1 286 . 1 . 1 31 31 ASP H H 1 8.699 0.001 . 1 . . . . . 102 ASP H . 50548 1 287 . 1 . 1 31 31 ASP HA H 1 4.450 0.003 . 1 . . . . . 102 ASP HA . 50548 1 288 . 1 . 1 31 31 ASP HB2 H 1 2.715 0.006 . 2 . . . . . 102 ASP HB2 . 50548 1 289 . 1 . 1 31 31 ASP HB3 H 1 2.824 0.004 . 2 . . . . . 102 ASP HB3 . 50548 1 290 . 1 . 1 31 31 ASP CA C 13 57.479 0.066 . 1 . . . . . 102 ASP CA . 50548 1 291 . 1 . 1 31 31 ASP CB C 13 40.019 0.075 . 1 . . . . . 102 ASP CB . 50548 1 292 . 1 . 1 31 31 ASP N N 15 120.211 0.022 . 1 . . . . . 102 ASP N . 50548 1 293 . 1 . 1 32 32 HIS H H 1 8.363 0.002 . 1 . . . . . 103 HIS H . 50548 1 294 . 1 . 1 32 32 HIS HA H 1 4.339 0.002 . 1 . . . . . 103 HIS HA . 50548 1 295 . 1 . 1 32 32 HIS HB2 H 1 2.972 0.021 . 2 . . . . . 103 HIS HB2 . 50548 1 296 . 1 . 1 32 32 HIS HB3 H 1 3.037 0.015 . 2 . . . . . 103 HIS HB3 . 50548 1 297 . 1 . 1 32 32 HIS HD2 H 1 6.340 0.003 . 1 . . . . . 103 HIS HD2 . 50548 1 298 . 1 . 1 32 32 HIS CA C 13 60.056 0.094 . 1 . . . . . 103 HIS CA . 50548 1 299 . 1 . 1 32 32 HIS CB C 13 31.302 0.039 . 1 . . . . . 103 HIS CB . 50548 1 300 . 1 . 1 32 32 HIS CD2 C 13 118.637 0.103 . 1 . . . . . 103 HIS CD2 . 50548 1 301 . 1 . 1 32 32 HIS N N 15 123.651 0.050 . 1 . . . . . 103 HIS N . 50548 1 302 . 1 . 1 33 33 LEU H H 1 8.503 0.002 . 1 . . . . . 104 LEU H . 50548 1 303 . 1 . 1 33 33 LEU HA H 1 4.068 0.007 . 1 . . . . . 104 LEU HA . 50548 1 304 . 1 . 1 33 33 LEU HB2 H 1 1.620 0.002 . 2 . . . . . 104 LEU HB2 . 50548 1 305 . 1 . 1 33 33 LEU HB3 H 1 1.770 0.002 . 2 . . . . . 104 LEU HB3 . 50548 1 306 . 1 . 1 33 33 LEU HG H 1 1.688 0.003 . 1 . . . . . 104 LEU HG . 50548 1 307 . 1 . 1 33 33 LEU HD11 H 1 0.839 0.002 . 2 . . . . . 104 LEU HD11 . 50548 1 308 . 1 . 1 33 33 LEU HD12 H 1 0.839 0.002 . 2 . . . . . 104 LEU HD12 . 50548 1 309 . 1 . 1 33 33 LEU HD13 H 1 0.839 0.002 . 2 . . . . . 104 LEU HD13 . 50548 1 310 . 1 . 1 33 33 LEU HD21 H 1 0.783 0.002 . 2 . . . . . 104 LEU HD21 . 50548 1 311 . 1 . 1 33 33 LEU HD22 H 1 0.783 0.002 . 2 . . . . . 104 LEU HD22 . 50548 1 312 . 1 . 1 33 33 LEU HD23 H 1 0.783 0.002 . 2 . . . . . 104 LEU HD23 . 50548 1 313 . 1 . 1 33 33 LEU CA C 13 57.580 0.139 . 1 . . . . . 104 LEU CA . 50548 1 314 . 1 . 1 33 33 LEU CB C 13 41.767 0.049 . 1 . . . . . 104 LEU CB . 50548 1 315 . 1 . 1 33 33 LEU CG C 13 27.141 0.110 . 1 . . . . . 104 LEU CG . 50548 1 316 . 1 . 1 33 33 LEU CD1 C 13 24.616 0.058 . 2 . . . . . 104 LEU CD1 . 50548 1 317 . 1 . 1 33 33 LEU CD2 C 13 24.224 0.077 . 2 . . . . . 104 LEU CD2 . 50548 1 318 . 1 . 1 33 33 LEU N N 15 120.192 0.028 . 1 . . . . . 104 LEU N . 50548 1 319 . 1 . 1 34 34 ALA H H 1 8.247 0.002 . 1 . . . . . 105 ALA H . 50548 1 320 . 1 . 1 34 34 ALA HA H 1 4.204 0.002 . 1 . . . . . 105 ALA HA . 50548 1 321 . 1 . 1 34 34 ALA HB1 H 1 1.548 0.003 . 1 . . . . . 105 ALA HB1 . 50548 1 322 . 1 . 1 34 34 ALA HB2 H 1 1.548 0.003 . 1 . . . . . 105 ALA HB2 . 50548 1 323 . 1 . 1 34 34 ALA HB3 H 1 1.548 0.003 . 1 . . . . . 105 ALA HB3 . 50548 1 324 . 1 . 1 34 34 ALA CA C 13 55.219 0.130 . 1 . . . . . 105 ALA CA . 50548 1 325 . 1 . 1 34 34 ALA CB C 13 17.965 0.076 . 1 . . . . . 105 ALA CB . 50548 1 326 . 1 . 1 34 34 ALA N N 15 122.085 0.028 . 1 . . . . . 105 ALA N . 50548 1 327 . 1 . 1 35 35 ALA H H 1 7.921 0.001 . 1 . . . . . 106 ALA H . 50548 1 328 . 1 . 1 35 35 ALA HA H 1 4.133 0.002 . 1 . . . . . 106 ALA HA . 50548 1 329 . 1 . 1 35 35 ALA HB1 H 1 1.497 0.001 . 1 . . . . . 106 ALA HB1 . 50548 1 330 . 1 . 1 35 35 ALA HB2 H 1 1.497 0.001 . 1 . . . . . 106 ALA HB2 . 50548 1 331 . 1 . 1 35 35 ALA HB3 H 1 1.497 0.001 . 1 . . . . . 106 ALA HB3 . 50548 1 332 . 1 . 1 35 35 ALA CA C 13 54.894 0.050 . 1 . . . . . 106 ALA CA . 50548 1 333 . 1 . 1 35 35 ALA CB C 13 17.747 0.048 . 1 . . . . . 106 ALA CB . 50548 1 334 . 1 . 1 35 35 ALA N N 15 120.743 0.020 . 1 . . . . . 106 ALA N . 50548 1 335 . 1 . 1 36 36 TYR H H 1 7.840 0.001 . 1 . . . . . 107 TYR H . 50548 1 336 . 1 . 1 36 36 TYR HA H 1 4.213 0.003 . 1 . . . . . 107 TYR HA . 50548 1 337 . 1 . 1 36 36 TYR HB2 H 1 3.070 0.004 . 2 . . . . . 107 TYR HB2 . 50548 1 338 . 1 . 1 36 36 TYR HB3 H 1 3.122 0.014 . 2 . . . . . 107 TYR HB3 . 50548 1 339 . 1 . 1 36 36 TYR HD1 H 1 7.061 0.004 . 1 . . . . . 107 TYR HD1 . 50548 1 340 . 1 . 1 36 36 TYR HD2 H 1 7.061 0.004 . 1 . . . . . 107 TYR HD2 . 50548 1 341 . 1 . 1 36 36 TYR HE1 H 1 6.798 0.004 . 1 . . . . . 107 TYR HE1 . 50548 1 342 . 1 . 1 36 36 TYR HE2 H 1 6.798 0.004 . 1 . . . . . 107 TYR HE2 . 50548 1 343 . 1 . 1 36 36 TYR CA C 13 60.846 0.125 . 1 . . . . . 107 TYR CA . 50548 1 344 . 1 . 1 36 36 TYR CB C 13 37.890 0.074 . 1 . . . . . 107 TYR CB . 50548 1 345 . 1 . 1 36 36 TYR CD1 C 13 133.222 0.063 . 1 . . . . . 107 TYR CD1 . 50548 1 346 . 1 . 1 36 36 TYR CD2 C 13 133.222 0.063 . 1 . . . . . 107 TYR CD2 . 50548 1 347 . 1 . 1 36 36 TYR CE1 C 13 118.305 0.069 . 1 . . . . . 107 TYR CE1 . 50548 1 348 . 1 . 1 36 36 TYR CE2 C 13 118.305 0.069 . 1 . . . . . 107 TYR CE2 . 50548 1 349 . 1 . 1 36 36 TYR N N 15 121.313 0.011 . 1 . . . . . 107 TYR N . 50548 1 350 . 1 . 1 37 37 GLU H H 1 8.476 0.001 . 1 . . . . . 108 GLU H . 50548 1 351 . 1 . 1 37 37 GLU HA H 1 3.705 0.004 . 1 . . . . . 108 GLU HA . 50548 1 352 . 1 . 1 37 37 GLU HB2 H 1 2.036 0.007 . 2 . . . . . 108 GLU HB2 . 50548 1 353 . 1 . 1 37 37 GLU HB3 H 1 2.070 0.013 . 2 . . . . . 108 GLU HB3 . 50548 1 354 . 1 . 1 37 37 GLU HG2 H 1 2.330 0.004 . 2 . . . . . 108 GLU HG2 . 50548 1 355 . 1 . 1 37 37 GLU HG3 H 1 2.477 0.003 . 2 . . . . . 108 GLU HG3 . 50548 1 356 . 1 . 1 37 37 GLU CA C 13 59.513 0.123 . 1 . . . . . 108 GLU CA . 50548 1 357 . 1 . 1 37 37 GLU CB C 13 29.242 0.117 . 1 . . . . . 108 GLU CB . 50548 1 358 . 1 . 1 37 37 GLU CG C 13 36.310 0.064 . 1 . . . . . 108 GLU CG . 50548 1 359 . 1 . 1 37 37 GLU N N 15 120.015 0.014 . 1 . . . . . 108 GLU N . 50548 1 360 . 1 . 1 38 38 LEU H H 1 7.949 0.001 . 1 . . . . . 109 LEU H . 50548 1 361 . 1 . 1 38 38 LEU HA H 1 4.152 0.002 . 1 . . . . . 109 LEU HA . 50548 1 362 . 1 . 1 38 38 LEU HB2 H 1 1.686 0.010 . 2 . . . . . 109 LEU HB2 . 50548 1 363 . 1 . 1 38 38 LEU HB3 H 1 1.741 0.021 . 2 . . . . . 109 LEU HB3 . 50548 1 364 . 1 . 1 38 38 LEU HG H 1 1.682 0.007 . 1 . . . . . 109 LEU HG . 50548 1 365 . 1 . 1 38 38 LEU HD11 H 1 0.885 0.002 . 1 . . . . . 109 LEU HD11 . 50548 1 366 . 1 . 1 38 38 LEU HD12 H 1 0.885 0.002 . 1 . . . . . 109 LEU HD12 . 50548 1 367 . 1 . 1 38 38 LEU HD13 H 1 0.885 0.002 . 1 . . . . . 109 LEU HD13 . 50548 1 368 . 1 . 1 38 38 LEU HD21 H 1 0.885 0.002 . 1 . . . . . 109 LEU HD21 . 50548 1 369 . 1 . 1 38 38 LEU HD22 H 1 0.885 0.002 . 1 . . . . . 109 LEU HD22 . 50548 1 370 . 1 . 1 38 38 LEU HD23 H 1 0.885 0.002 . 1 . . . . . 109 LEU HD23 . 50548 1 371 . 1 . 1 38 38 LEU CA C 13 57.491 0.064 . 1 . . . . . 109 LEU CA . 50548 1 372 . 1 . 1 38 38 LEU CB C 13 41.989 0.053 . 1 . . . . . 109 LEU CB . 50548 1 373 . 1 . 1 38 38 LEU CG C 13 26.870 0.092 . 1 . . . . . 109 LEU CG . 50548 1 374 . 1 . 1 38 38 LEU CD1 C 13 23.960 0.170 . 1 . . . . . 109 LEU CD1 . 50548 1 375 . 1 . 1 38 38 LEU CD2 C 13 23.960 0.170 . 1 . . . . . 109 LEU CD2 . 50548 1 376 . 1 . 1 38 38 LEU N N 15 119.938 0.013 . 1 . . . . . 109 LEU N . 50548 1 377 . 1 . 1 39 39 SER H H 1 7.848 0.001 . 1 . . . . . 110 SER H . 50548 1 378 . 1 . 1 39 39 SER HA H 1 4.252 0.002 . 1 . . . . . 110 SER HA . 50548 1 379 . 1 . 1 39 39 SER HB2 H 1 3.953 0.003 . 1 . . . . . 110 SER HB2 . 50548 1 380 . 1 . 1 39 39 SER HB3 H 1 3.953 0.003 . 1 . . . . . 110 SER HB3 . 50548 1 381 . 1 . 1 39 39 SER CA C 13 60.701 0.077 . 1 . . . . . 110 SER CA . 50548 1 382 . 1 . 1 39 39 SER CB C 13 63.126 0.047 . 1 . . . . . 110 SER CB . 50548 1 383 . 1 . 1 39 39 SER N N 15 115.538 0.019 . 1 . . . . . 110 SER N . 50548 1 384 . 1 . 1 40 40 LYS H H 1 7.501 0.001 . 1 . . . . . 111 LYS H . 50548 1 385 . 1 . 1 40 40 LYS HA H 1 4.089 0.003 . 1 . . . . . 111 LYS HA . 50548 1 386 . 1 . 1 40 40 LYS HB2 H 1 1.597 0.005 . 2 . . . . . 111 LYS HB2 . 50548 1 387 . 1 . 1 40 40 LYS HB3 H 1 1.681 0.008 . 2 . . . . . 111 LYS HB3 . 50548 1 388 . 1 . 1 40 40 LYS HG2 H 1 1.187 0.003 . 1 . . . . . 111 LYS HG2 . 50548 1 389 . 1 . 1 40 40 LYS HG3 H 1 1.187 0.003 . 1 . . . . . 111 LYS HG3 . 50548 1 390 . 1 . 1 40 40 LYS HD2 H 1 1.497 0.002 . 1 . . . . . 111 LYS HD2 . 50548 1 391 . 1 . 1 40 40 LYS HD3 H 1 1.497 0.002 . 1 . . . . . 111 LYS HD3 . 50548 1 392 . 1 . 1 40 40 LYS HE2 H 1 2.796 0.005 . 2 . . . . . 111 LYS HE2 . 50548 1 393 . 1 . 1 40 40 LYS HE3 H 1 2.817 0.009 . 2 . . . . . 111 LYS HE3 . 50548 1 394 . 1 . 1 40 40 LYS CA C 13 57.278 0.074 . 1 . . . . . 111 LYS CA . 50548 1 395 . 1 . 1 40 40 LYS CB C 13 32.068 0.112 . 1 . . . . . 111 LYS CB . 50548 1 396 . 1 . 1 40 40 LYS CG C 13 24.117 0.042 . 1 . . . . . 111 LYS CG . 50548 1 397 . 1 . 1 40 40 LYS CD C 13 28.810 0.071 . 1 . . . . . 111 LYS CD . 50548 1 398 . 1 . 1 40 40 LYS CE C 13 41.960 0.061 . 1 . . . . . 111 LYS CE . 50548 1 399 . 1 . 1 40 40 LYS N N 15 121.606 0.010 . 1 . . . . . 111 LYS N . 50548 1 400 . 1 . 1 41 41 ALA H H 1 7.741 0.001 . 1 . . . . . 112 ALA H . 50548 1 401 . 1 . 1 41 41 ALA HA H 1 4.289 0.003 . 1 . . . . . 112 ALA HA . 50548 1 402 . 1 . 1 41 41 ALA HB1 H 1 1.453 0.004 . 1 . . . . . 112 ALA HB1 . 50548 1 403 . 1 . 1 41 41 ALA HB2 H 1 1.453 0.004 . 1 . . . . . 112 ALA HB2 . 50548 1 404 . 1 . 1 41 41 ALA HB3 H 1 1.453 0.004 . 1 . . . . . 112 ALA HB3 . 50548 1 405 . 1 . 1 41 41 ALA C C 13 178.289 0.014 . 1 . . . . . 112 ALA C . 50548 1 406 . 1 . 1 41 41 ALA CA C 13 53.176 0.058 . 1 . . . . . 112 ALA CA . 50548 1 407 . 1 . 1 41 41 ALA CB C 13 18.883 0.063 . 1 . . . . . 112 ALA CB . 50548 1 408 . 1 . 1 41 41 ALA N N 15 122.479 0.020 . 1 . . . . . 112 ALA N . 50548 1 409 . 1 . 1 42 42 SER H H 1 7.957 0.001 . 1 . . . . . 113 SER H . 50548 1 410 . 1 . 1 42 42 SER HA H 1 4.428 0.019 . 1 . . . . . 113 SER HA . 50548 1 411 . 1 . 1 42 42 SER HB2 H 1 3.915 0.003 . 1 . . . . . 113 SER HB2 . 50548 1 412 . 1 . 1 42 42 SER HB3 H 1 3.915 0.003 . 1 . . . . . 113 SER HB3 . 50548 1 413 . 1 . 1 42 42 SER C C 13 174.761 0.030 . 1 . . . . . 113 SER C . 50548 1 414 . 1 . 1 42 42 SER CA C 13 58.891 0.073 . 1 . . . . . 113 SER CA . 50548 1 415 . 1 . 1 42 42 SER CB C 13 63.846 0.063 . 1 . . . . . 113 SER CB . 50548 1 416 . 1 . 1 42 42 SER N N 15 113.830 0.029 . 1 . . . . . 113 SER N . 50548 1 417 . 1 . 1 43 43 GLU H H 1 8.169 0.001 . 1 . . . . . 114 GLU H . 50548 1 418 . 1 . 1 43 43 GLU HA H 1 4.344 0.016 . 1 . . . . . 114 GLU HA . 50548 1 419 . 1 . 1 43 43 GLU HB2 H 1 1.993 0.013 . 2 . . . . . 114 GLU HB2 . 50548 1 420 . 1 . 1 43 43 GLU HB3 H 1 2.102 0.005 . 2 . . . . . 114 GLU HB3 . 50548 1 421 . 1 . 1 43 43 GLU HG2 H 1 2.265 0.012 . 2 . . . . . 114 GLU HG2 . 50548 1 422 . 1 . 1 43 43 GLU HG3 H 1 2.325 0.024 . 2 . . . . . 114 GLU HG3 . 50548 1 423 . 1 . 1 43 43 GLU C C 13 176.856 0.018 . 1 . . . . . 114 GLU C . 50548 1 424 . 1 . 1 43 43 GLU CA C 13 57.004 0.066 . 1 . . . . . 114 GLU CA . 50548 1 425 . 1 . 1 43 43 GLU CB C 13 30.258 0.078 . 1 . . . . . 114 GLU CB . 50548 1 426 . 1 . 1 43 43 GLU CG C 13 36.384 0.082 . 1 . . . . . 114 GLU CG . 50548 1 427 . 1 . 1 43 43 GLU N N 15 122.052 0.013 . 1 . . . . . 114 GLU N . 50548 1 428 . 1 . 1 44 44 THR H H 1 8.113 0.001 . 1 . . . . . 115 THR H . 50548 1 429 . 1 . 1 44 44 THR HA H 1 4.307 0.017 . 1 . . . . . 115 THR HA . 50548 1 430 . 1 . 1 44 44 THR HB H 1 4.188 0.002 . 1 . . . . . 115 THR HB . 50548 1 431 . 1 . 1 44 44 THR HG21 H 1 1.185 0.002 . 1 . . . . . 115 THR HG21 . 50548 1 432 . 1 . 1 44 44 THR HG22 H 1 1.185 0.002 . 1 . . . . . 115 THR HG22 . 50548 1 433 . 1 . 1 44 44 THR HG23 H 1 1.185 0.002 . 1 . . . . . 115 THR HG23 . 50548 1 434 . 1 . 1 44 44 THR C C 13 174.624 0.018 . 1 . . . . . 115 THR C . 50548 1 435 . 1 . 1 44 44 THR CA C 13 62.314 0.178 . 1 . . . . . 115 THR CA . 50548 1 436 . 1 . 1 44 44 THR CB C 13 69.719 0.094 . 1 . . . . . 115 THR CB . 50548 1 437 . 1 . 1 44 44 THR CG2 C 13 21.727 0.085 . 1 . . . . . 115 THR CG2 . 50548 1 438 . 1 . 1 44 44 THR N N 15 114.928 0.021 . 1 . . . . . 115 THR N . 50548 1 439 . 1 . 1 45 45 VAL H H 1 8.031 0.001 . 1 . . . . . 116 VAL H . 50548 1 440 . 1 . 1 45 45 VAL HA H 1 4.083 0.017 . 1 . . . . . 116 VAL HA . 50548 1 441 . 1 . 1 45 45 VAL HB H 1 2.016 0.003 . 1 . . . . . 116 VAL HB . 50548 1 442 . 1 . 1 45 45 VAL HG11 H 1 0.830 0.003 . 2 . . . . . 116 VAL HG11 . 50548 1 443 . 1 . 1 45 45 VAL HG12 H 1 0.830 0.003 . 2 . . . . . 116 VAL HG12 . 50548 1 444 . 1 . 1 45 45 VAL HG13 H 1 0.830 0.003 . 2 . . . . . 116 VAL HG13 . 50548 1 445 . 1 . 1 45 45 VAL HG21 H 1 0.892 0.002 . 2 . . . . . 116 VAL HG21 . 50548 1 446 . 1 . 1 45 45 VAL HG22 H 1 0.892 0.002 . 2 . . . . . 116 VAL HG22 . 50548 1 447 . 1 . 1 45 45 VAL HG23 H 1 0.892 0.002 . 2 . . . . . 116 VAL HG23 . 50548 1 448 . 1 . 1 45 45 VAL CA C 13 62.460 0.133 . 1 . . . . . 116 VAL CA . 50548 1 449 . 1 . 1 45 45 VAL CB C 13 32.683 0.110 . 1 . . . . . 116 VAL CB . 50548 1 450 . 1 . 1 45 45 VAL CG1 C 13 21.137 0.031 . 2 . . . . . 116 VAL CG1 . 50548 1 451 . 1 . 1 45 45 VAL CG2 C 13 20.417 0.082 . 2 . . . . . 116 VAL CG2 . 50548 1 452 . 1 . 1 45 45 VAL N N 15 122.127 0.021 . 1 . . . . . 116 VAL N . 50548 1 453 . 1 . 1 46 46 ASN H H 1 8.332 0.001 . 1 . . . . . 117 ASN H . 50548 1 454 . 1 . 1 46 46 ASN HA H 1 4.704 0.003 . 1 . . . . . 117 ASN HA . 50548 1 455 . 1 . 1 46 46 ASN HB2 H 1 2.659 0.008 . 2 . . . . . 117 ASN HB2 . 50548 1 456 . 1 . 1 46 46 ASN HB3 H 1 2.720 0.004 . 2 . . . . . 117 ASN HB3 . 50548 1 457 . 1 . 1 46 46 ASN HD21 H 1 7.528 0.000 . 1 . . . . . 117 ASN HD21 . 50548 1 458 . 1 . 1 46 46 ASN HD22 H 1 6.871 0.000 . 1 . . . . . 117 ASN HD22 . 50548 1 459 . 1 . 1 46 46 ASN C C 13 174.559 0.020 . 1 . . . . . 117 ASN C . 50548 1 460 . 1 . 1 46 46 ASN CA C 13 53.093 0.052 . 1 . . . . . 117 ASN CA . 50548 1 461 . 1 . 1 46 46 ASN CB C 13 39.249 0.084 . 1 . . . . . 117 ASN CB . 50548 1 462 . 1 . 1 46 46 ASN N N 15 121.841 0.026 . 1 . . . . . 117 ASN N . 50548 1 463 . 1 . 1 46 46 ASN ND2 N 15 112.910 0.027 . 1 . . . . . 117 ASN ND2 . 50548 1 464 . 1 . 1 47 47 PHE H H 1 8.111 0.001 . 1 . . . . . 118 PHE H . 50548 1 465 . 1 . 1 47 47 PHE HA H 1 4.629 0.015 . 1 . . . . . 118 PHE HA . 50548 1 466 . 1 . 1 47 47 PHE HB2 H 1 3.172 0.002 . 2 . . . . . 118 PHE HB2 . 50548 1 467 . 1 . 1 47 47 PHE HB3 H 1 3.029 0.004 . 2 . . . . . 118 PHE HB3 . 50548 1 468 . 1 . 1 47 47 PHE HD1 H 1 7.259 0.003 . 1 . . . . . 118 PHE HD1 . 50548 1 469 . 1 . 1 47 47 PHE HD2 H 1 7.259 0.003 . 1 . . . . . 118 PHE HD2 . 50548 1 470 . 1 . 1 47 47 PHE HE1 H 1 7.353 0.002 . 1 . . . . . 118 PHE HE1 . 50548 1 471 . 1 . 1 47 47 PHE HE2 H 1 7.353 0.002 . 1 . . . . . 118 PHE HE2 . 50548 1 472 . 1 . 1 47 47 PHE C C 13 174.614 0.016 . 1 . . . . . 118 PHE C . 50548 1 473 . 1 . 1 47 47 PHE CA C 13 57.942 0.093 . 1 . . . . . 118 PHE CA . 50548 1 474 . 1 . 1 47 47 PHE CB C 13 39.554 0.060 . 1 . . . . . 118 PHE CB . 50548 1 475 . 1 . 1 47 47 PHE CD1 C 13 131.661 0.178 . 1 . . . . . 118 PHE CD1 . 50548 1 476 . 1 . 1 47 47 PHE CD2 C 13 131.661 0.178 . 1 . . . . . 118 PHE CD2 . 50548 1 477 . 1 . 1 47 47 PHE CE1 C 13 131.485 0.000 . 1 . . . . . 118 PHE CE1 . 50548 1 478 . 1 . 1 47 47 PHE CE2 C 13 131.485 0.000 . 1 . . . . . 118 PHE CE2 . 50548 1 479 . 1 . 1 47 47 PHE N N 15 121.074 0.009 . 1 . . . . . 118 PHE N . 50548 1 480 . 1 . 1 48 48 LYS H H 1 7.757 0.001 . 1 . . . . . 119 LYS H . 50548 1 481 . 1 . 1 48 48 LYS HA H 1 4.124 0.016 . 1 . . . . . 119 LYS HA . 50548 1 482 . 1 . 1 48 48 LYS HB2 H 1 1.685 0.003 . 2 . . . . . 119 LYS HB2 . 50548 1 483 . 1 . 1 48 48 LYS HB3 H 1 1.788 0.001 . 2 . . . . . 119 LYS HB3 . 50548 1 484 . 1 . 1 48 48 LYS HG2 H 1 1.337 0.002 . 1 . . . . . 119 LYS HG2 . 50548 1 485 . 1 . 1 48 48 LYS HG3 H 1 1.337 0.002 . 1 . . . . . 119 LYS HG3 . 50548 1 486 . 1 . 1 48 48 LYS HD2 H 1 1.657 0.002 . 1 . . . . . 119 LYS HD2 . 50548 1 487 . 1 . 1 48 48 LYS HD3 H 1 1.657 0.002 . 1 . . . . . 119 LYS HD3 . 50548 1 488 . 1 . 1 48 48 LYS HE2 H 1 2.985 0.002 . 1 . . . . . 119 LYS HE2 . 50548 1 489 . 1 . 1 48 48 LYS HE3 H 1 2.985 0.002 . 1 . . . . . 119 LYS HE3 . 50548 1 490 . 1 . 1 48 48 LYS CA C 13 57.770 0.041 . 1 . . . . . 119 LYS CA . 50548 1 491 . 1 . 1 48 48 LYS CB C 13 33.940 0.066 . 1 . . . . . 119 LYS CB . 50548 1 492 . 1 . 1 48 48 LYS CG C 13 24.660 0.029 . 1 . . . . . 119 LYS CG . 50548 1 493 . 1 . 1 48 48 LYS CD C 13 29.209 0.019 . 1 . . . . . 119 LYS CD . 50548 1 494 . 1 . 1 48 48 LYS CE C 13 42.263 0.022 . 1 . . . . . 119 LYS CE . 50548 1 495 . 1 . 1 48 48 LYS N N 15 127.616 0.019 . 1 . . . . . 119 LYS N . 50548 1 stop_ save_ save_assigned_chemical_shifts_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_2 _Assigned_chem_shift_list.Entry_ID 50548 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Name assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sample_condition_list_ID 2 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_2 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 16 '2D 1H-15N HSQC' . . . 50548 2 17 '3D HNCACB' . . . 50548 2 18 '3D HN(CO)CACB' . . . 50548 2 19 '3D 1H-15N NOESY' . . . 50548 2 20 '3D (H)CC(CO)NH' . . . 50548 2 21 '3D H(CC)(CO)NH' . . . 50548 2 22 '3D HC(C)H-COSY' . . . 50548 2 23 '2D (HB)CB(CGCD)HD' . . . 50548 2 24 '2D (HB)CB(CGCDCE)HE' . . . 50548 2 25 '2D 1H-13C HSQC aromatic' . . . 50548 2 26 '3D HBHA(CO)NH' . . . 50548 2 27 '2D CON' . . . 50548 2 28 '3D 1H-13C NOESY' . . . 50548 2 29 '3D 1H-13C NOESY aromatic' . . . 50548 2 30 '2D 1H-13C HSQC aliphatic' . . . 50548 2 31 '3D (H)CCH3-TOCSY' . . . 50548 2 32 '3D HC(C)H-COSY' . . . 50548 2 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 50548 2 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 . 2 . 2 1 1 GLY HA2 H 1 3.861 0.000 . 1 . . . . . 206 GLY HA2 . 50548 2 2 . 2 . 2 1 1 GLY HA3 H 1 3.861 0.000 . 1 . . . . . 206 GLY HA3 . 50548 2 3 . 2 . 2 1 1 GLY CA C 13 43.658 0.000 . 1 . . . . . 206 GLY CA . 50548 2 4 . 2 . 2 2 2 SER HA H 1 4.474 0.002 . 1 . . . . . 207 SER HA . 50548 2 5 . 2 . 2 2 2 SER HB2 H 1 3.766 0.010 . 2 . . . . . 207 SER HB2 . 50548 2 6 . 2 . 2 2 2 SER HB3 H 1 3.795 0.011 . 2 . . . . . 207 SER HB3 . 50548 2 7 . 2 . 2 2 2 SER CA C 13 58.270 0.076 . 1 . . . . . 207 SER CA . 50548 2 8 . 2 . 2 2 2 SER CB C 13 64.046 0.072 . 1 . . . . . 207 SER CB . 50548 2 9 . 2 . 2 3 3 ASN H H 1 8.544 0.004 . 1 . . . . . 208 ASN H . 50548 2 10 . 2 . 2 3 3 ASN HA H 1 4.659 0.004 . 1 . . . . . 208 ASN HA . 50548 2 11 . 2 . 2 3 3 ASN HB2 H 1 2.688 0.011 . 2 . . . . . 208 ASN HB2 . 50548 2 12 . 2 . 2 3 3 ASN HB3 H 1 2.663 0.009 . 2 . . . . . 208 ASN HB3 . 50548 2 13 . 2 . 2 3 3 ASN HD21 H 1 6.880 0.001 . 1 . . . . . 208 ASN HD21 . 50548 2 14 . 2 . 2 3 3 ASN HD22 H 1 7.529 0.001 . 1 . . . . . 208 ASN HD22 . 50548 2 15 . 2 . 2 3 3 ASN CA C 13 53.361 0.056 . 1 . . . . . 208 ASN CA . 50548 2 16 . 2 . 2 3 3 ASN CB C 13 38.919 0.035 . 1 . . . . . 208 ASN CB . 50548 2 17 . 2 . 2 3 3 ASN N N 15 120.558 0.017 . 1 . . . . . 208 ASN N . 50548 2 18 . 2 . 2 3 3 ASN ND2 N 15 112.913 0.012 . 1 . . . . . 208 ASN ND2 . 50548 2 19 . 2 . 2 4 4 PHE H H 1 8.263 0.001 . 1 . . . . . 209 PHE H . 50548 2 20 . 2 . 2 4 4 PHE HA H 1 4.556 0.004 . 1 . . . . . 209 PHE HA . 50548 2 21 . 2 . 2 4 4 PHE HB2 H 1 2.946 0.002 . 2 . . . . . 209 PHE HB2 . 50548 2 22 . 2 . 2 4 4 PHE HB3 H 1 3.108 0.004 . 2 . . . . . 209 PHE HB3 . 50548 2 23 . 2 . 2 4 4 PHE HD1 H 1 7.172 0.007 . 1 . . . . . 209 PHE HD1 . 50548 2 24 . 2 . 2 4 4 PHE HD2 H 1 7.172 0.007 . 1 . . . . . 209 PHE HD2 . 50548 2 25 . 2 . 2 4 4 PHE HE1 H 1 7.260 0.002 . 1 . . . . . 209 PHE HE1 . 50548 2 26 . 2 . 2 4 4 PHE HE2 H 1 7.260 0.002 . 1 . . . . . 209 PHE HE2 . 50548 2 27 . 2 . 2 4 4 PHE C C 13 175.499 0.000 . 1 . . . . . 209 PHE C . 50548 2 28 . 2 . 2 4 4 PHE CA C 13 57.940 0.103 . 1 . . . . . 209 PHE CA . 50548 2 29 . 2 . 2 4 4 PHE CB C 13 39.244 0.052 . 1 . . . . . 209 PHE CB . 50548 2 30 . 2 . 2 4 4 PHE CD1 C 13 131.651 0.130 . 1 . . . . . 209 PHE CD1 . 50548 2 31 . 2 . 2 4 4 PHE CD2 C 13 131.651 0.130 . 1 . . . . . 209 PHE CD2 . 50548 2 32 . 2 . 2 4 4 PHE CE1 C 13 131.671 0.180 . 1 . . . . . 209 PHE CE1 . 50548 2 33 . 2 . 2 4 4 PHE CE2 C 13 131.671 0.180 . 1 . . . . . 209 PHE CE2 . 50548 2 34 . 2 . 2 4 4 PHE N N 15 119.635 0.008 . 1 . . . . . 209 PHE N . 50548 2 35 . 2 . 2 5 5 GLN H H 1 8.269 0.001 . 1 . . . . . 210 GLN H . 50548 2 36 . 2 . 2 5 5 GLN HA H 1 4.216 0.003 . 1 . . . . . 210 GLN HA . 50548 2 37 . 2 . 2 5 5 GLN HB2 H 1 1.895 0.002 . 2 . . . . . 210 GLN HB2 . 50548 2 38 . 2 . 2 5 5 GLN HB3 H 1 1.958 0.003 . 2 . . . . . 210 GLN HB3 . 50548 2 39 . 2 . 2 5 5 GLN HG2 H 1 2.222 0.003 . 1 . . . . . 210 GLN HG2 . 50548 2 40 . 2 . 2 5 5 GLN HG3 H 1 2.222 0.003 . 1 . . . . . 210 GLN HG3 . 50548 2 41 . 2 . 2 5 5 GLN HE21 H 1 6.824 0.001 . 1 . . . . . 210 GLN HE21 . 50548 2 42 . 2 . 2 5 5 GLN HE22 H 1 7.478 0.000 . 1 . . . . . 210 GLN HE22 . 50548 2 43 . 2 . 2 5 5 GLN CA C 13 56.320 0.073 . 1 . . . . . 210 GLN CA . 50548 2 44 . 2 . 2 5 5 GLN CB C 13 29.484 0.031 . 1 . . . . . 210 GLN CB . 50548 2 45 . 2 . 2 5 5 GLN CG C 13 33.868 0.060 . 1 . . . . . 210 GLN CG . 50548 2 46 . 2 . 2 5 5 GLN N N 15 120.983 0.018 . 1 . . . . . 210 GLN N . 50548 2 47 . 2 . 2 5 5 GLN NE2 N 15 112.191 0.006 . 1 . . . . . 210 GLN NE2 . 50548 2 48 . 2 . 2 6 6 HIS HA H 1 4.617 0.001 . 1 . . . . . 211 HIS HA . 50548 2 49 . 2 . 2 6 6 HIS HB2 H 1 3.106 0.016 . 2 . . . . . 211 HIS HB2 . 50548 2 50 . 2 . 2 6 6 HIS HB3 H 1 3.128 0.018 . 2 . . . . . 211 HIS HB3 . 50548 2 51 . 2 . 2 6 6 HIS C C 13 174.854 0.000 . 1 . . . . . 211 HIS C . 50548 2 52 . 2 . 2 6 6 HIS CA C 13 56.044 0.120 . 1 . . . . . 211 HIS CA . 50548 2 53 . 2 . 2 6 6 HIS CB C 13 30.130 0.205 . 1 . . . . . 211 HIS CB . 50548 2 54 . 2 . 2 7 7 ILE H H 1 8.059 0.003 . 1 . . . . . 212 ILE H . 50548 2 55 . 2 . 2 7 7 ILE HA H 1 4.115 0.005 . 1 . . . . . 212 ILE HA . 50548 2 56 . 2 . 2 7 7 ILE HB H 1 1.815 0.004 . 1 . . . . . 212 ILE HB . 50548 2 57 . 2 . 2 7 7 ILE HG12 H 1 1.104 0.004 . 2 . . . . . 212 ILE HG12 . 50548 2 58 . 2 . 2 7 7 ILE HG13 H 1 1.399 0.004 . 2 . . . . . 212 ILE HG13 . 50548 2 59 . 2 . 2 7 7 ILE HG21 H 1 0.853 0.004 . 1 . . . . . 212 ILE HG21 . 50548 2 60 . 2 . 2 7 7 ILE HG22 H 1 0.853 0.004 . 1 . . . . . 212 ILE HG22 . 50548 2 61 . 2 . 2 7 7 ILE HG23 H 1 0.853 0.004 . 1 . . . . . 212 ILE HG23 . 50548 2 62 . 2 . 2 7 7 ILE HD11 H 1 0.775 0.003 . 1 . . . . . 212 ILE HD11 . 50548 2 63 . 2 . 2 7 7 ILE HD12 H 1 0.775 0.003 . 1 . . . . . 212 ILE HD12 . 50548 2 64 . 2 . 2 7 7 ILE HD13 H 1 0.775 0.003 . 1 . . . . . 212 ILE HD13 . 50548 2 65 . 2 . 2 7 7 ILE CA C 13 61.505 0.046 . 1 . . . . . 212 ILE CA . 50548 2 66 . 2 . 2 7 7 ILE CB C 13 38.669 0.045 . 1 . . . . . 212 ILE CB . 50548 2 67 . 2 . 2 7 7 ILE CG1 C 13 27.344 0.041 . 1 . . . . . 212 ILE CG1 . 50548 2 68 . 2 . 2 7 7 ILE CG2 C 13 17.583 0.039 . 1 . . . . . 212 ILE CG2 . 50548 2 69 . 2 . 2 7 7 ILE CD1 C 13 13.199 0.054 . 1 . . . . . 212 ILE CD1 . 50548 2 70 . 2 . 2 7 7 ILE N N 15 122.159 0.018 . 1 . . . . . 212 ILE N . 50548 2 71 . 2 . 2 8 8 GLY H H 1 8.535 0.001 . 1 . . . . . 213 GLY H . 50548 2 72 . 2 . 2 8 8 GLY HA2 H 1 3.954 0.003 . 1 . . . . . 213 GLY HA2 . 50548 2 73 . 2 . 2 8 8 GLY HA3 H 1 3.954 0.003 . 1 . . . . . 213 GLY HA3 . 50548 2 74 . 2 . 2 8 8 GLY CA C 13 45.390 0.065 . 1 . . . . . 213 GLY CA . 50548 2 75 . 2 . 2 8 8 GLY N N 15 112.634 0.021 . 1 . . . . . 213 GLY N . 50548 2 76 . 2 . 2 9 9 HIS H H 1 8.386 0.003 . 1 . . . . . 214 HIS H . 50548 2 77 . 2 . 2 9 9 HIS HA H 1 4.739 0.026 . 1 . . . . . 214 HIS HA . 50548 2 78 . 2 . 2 9 9 HIS HB2 H 1 3.180 0.009 . 2 . . . . . 214 HIS HB2 . 50548 2 79 . 2 . 2 9 9 HIS HB3 H 1 3.241 0.008 . 2 . . . . . 214 HIS HB3 . 50548 2 80 . 2 . 2 9 9 HIS HD2 H 1 7.134 0.003 . 1 . . . . . 214 HIS HD2 . 50548 2 81 . 2 . 2 9 9 HIS C C 13 174.861 0.000 . 1 . . . . . 214 HIS C . 50548 2 82 . 2 . 2 9 9 HIS CA C 13 56.174 0.136 . 1 . . . . . 214 HIS CA . 50548 2 83 . 2 . 2 9 9 HIS CB C 13 30.238 0.193 . 1 . . . . . 214 HIS CB . 50548 2 84 . 2 . 2 9 9 HIS CD2 C 13 120.227 0.092 . 1 . . . . . 214 HIS CD2 . 50548 2 85 . 2 . 2 9 9 HIS N N 15 119.030 0.029 . 1 . . . . . 214 HIS N . 50548 2 86 . 2 . 2 10 10 VAL H H 1 8.465 0.003 . 1 . . . . . 215 VAL H . 50548 2 87 . 2 . 2 10 10 VAL HA H 1 4.186 0.001 . 1 . . . . . 215 VAL HA . 50548 2 88 . 2 . 2 10 10 VAL HB H 1 2.272 0.004 . 1 . . . . . 215 VAL HB . 50548 2 89 . 2 . 2 10 10 VAL HG11 H 1 1.061 0.002 . 2 . . . . . 215 VAL HG11 . 50548 2 90 . 2 . 2 10 10 VAL HG12 H 1 1.061 0.002 . 2 . . . . . 215 VAL HG12 . 50548 2 91 . 2 . 2 10 10 VAL HG13 H 1 1.061 0.002 . 2 . . . . . 215 VAL HG13 . 50548 2 92 . 2 . 2 10 10 VAL HG21 H 1 1.127 0.001 . 2 . . . . . 215 VAL HG21 . 50548 2 93 . 2 . 2 10 10 VAL HG22 H 1 1.127 0.001 . 2 . . . . . 215 VAL HG22 . 50548 2 94 . 2 . 2 10 10 VAL HG23 H 1 1.127 0.001 . 2 . . . . . 215 VAL HG23 . 50548 2 95 . 2 . 2 10 10 VAL C C 13 175.738 0.000 . 1 . . . . . 215 VAL C . 50548 2 96 . 2 . 2 10 10 VAL CA C 13 62.638 0.054 . 1 . . . . . 215 VAL CA . 50548 2 97 . 2 . 2 10 10 VAL CB C 13 32.974 0.074 . 1 . . . . . 215 VAL CB . 50548 2 98 . 2 . 2 10 10 VAL CG1 C 13 21.621 0.091 . 2 . . . . . 215 VAL CG1 . 50548 2 99 . 2 . 2 10 10 VAL CG2 C 13 21.861 0.077 . 2 . . . . . 215 VAL CG2 . 50548 2 100 . 2 . 2 10 10 VAL N N 15 123.028 0.019 . 1 . . . . . 215 VAL N . 50548 2 101 . 2 . 2 11 11 GLY H H 1 8.585 0.001 . 1 . . . . . 216 GLY H . 50548 2 102 . 2 . 2 11 11 GLY HA2 H 1 4.006 0.010 . 2 . . . . . 216 GLY HA2 . 50548 2 103 . 2 . 2 11 11 GLY HA3 H 1 4.123 0.006 . 2 . . . . . 216 GLY HA3 . 50548 2 104 . 2 . 2 11 11 GLY CA C 13 46.537 0.063 . 1 . . . . . 216 GLY CA . 50548 2 105 . 2 . 2 11 11 GLY N N 15 111.930 0.020 . 1 . . . . . 216 GLY N . 50548 2 106 . 2 . 2 12 12 TRP H H 1 7.873 0.001 . 1 . . . . . 217 TRP H . 50548 2 107 . 2 . 2 12 12 TRP HA H 1 4.218 0.005 . 1 . . . . . 217 TRP HA . 50548 2 108 . 2 . 2 12 12 TRP HB2 H 1 2.290 0.035 . 2 . . . . . 217 TRP HB2 . 50548 2 109 . 2 . 2 12 12 TRP HB3 H 1 2.380 0.011 . 2 . . . . . 217 TRP HB3 . 50548 2 110 . 2 . 2 12 12 TRP HD1 H 1 5.499 0.006 . 1 . . . . . 217 TRP HD1 . 50548 2 111 . 2 . 2 12 12 TRP HE1 H 1 9.278 0.002 . 1 . . . . . 217 TRP HE1 . 50548 2 112 . 2 . 2 12 12 TRP CA C 13 57.709 0.063 . 1 . . . . . 217 TRP CA . 50548 2 113 . 2 . 2 12 12 TRP CB C 13 31.248 0.087 . 1 . . . . . 217 TRP CB . 50548 2 114 . 2 . 2 12 12 TRP CD1 C 13 124.710 0.083 . 1 . . . . . 217 TRP CD1 . 50548 2 115 . 2 . 2 12 12 TRP N N 15 124.250 0.021 . 1 . . . . . 217 TRP N . 50548 2 116 . 2 . 2 12 12 TRP NE1 N 15 126.832 0.021 . 1 . . . . . 217 TRP NE1 . 50548 2 117 . 2 . 2 13 13 ASP H H 1 6.956 0.002 . 1 . . . . . 218 ASP H . 50548 2 118 . 2 . 2 13 13 ASP HA H 1 4.371 0.002 . 1 . . . . . 218 ASP HA . 50548 2 119 . 2 . 2 13 13 ASP HB2 H 1 2.241 0.006 . 2 . . . . . 218 ASP HB2 . 50548 2 120 . 2 . 2 13 13 ASP HB3 H 1 2.511 0.004 . 2 . . . . . 218 ASP HB3 . 50548 2 121 . 2 . 2 13 13 ASP CA C 13 50.047 0.041 . 1 . . . . . 218 ASP CA . 50548 2 122 . 2 . 2 13 13 ASP CB C 13 45.390 0.065 . 1 . . . . . 218 ASP CB . 50548 2 123 . 2 . 2 13 13 ASP N N 15 128.985 0.023 . 1 . . . . . 218 ASP N . 50548 2 124 . 2 . 2 14 14 PRO HA H 1 3.571 0.002 . 1 . . . . . 219 PRO HA . 50548 2 125 . 2 . 2 14 14 PRO HB2 H 1 1.687 0.005 . 2 . . . . . 219 PRO HB2 . 50548 2 126 . 2 . 2 14 14 PRO HB3 H 1 2.135 0.006 . 2 . . . . . 219 PRO HB3 . 50548 2 127 . 2 . 2 14 14 PRO HG2 H 1 1.700 0.006 . 2 . . . . . 219 PRO HG2 . 50548 2 128 . 2 . 2 14 14 PRO HG3 H 1 1.832 0.004 . 2 . . . . . 219 PRO HG3 . 50548 2 129 . 2 . 2 14 14 PRO HD2 H 1 2.962 0.002 . 2 . . . . . 219 PRO HD2 . 50548 2 130 . 2 . 2 14 14 PRO HD3 H 1 3.340 0.003 . 2 . . . . . 219 PRO HD3 . 50548 2 131 . 2 . 2 14 14 PRO CA C 13 63.664 0.073 . 1 . . . . . 219 PRO CA . 50548 2 132 . 2 . 2 14 14 PRO CB C 13 31.870 0.053 . 1 . . . . . 219 PRO CB . 50548 2 133 . 2 . 2 14 14 PRO CG C 13 26.890 0.086 . 1 . . . . . 219 PRO CG . 50548 2 134 . 2 . 2 14 14 PRO CD C 13 50.205 0.054 . 1 . . . . . 219 PRO CD . 50548 2 135 . 2 . 2 15 15 ASN H H 1 8.475 0.002 . 1 . . . . . 220 ASN H . 50548 2 136 . 2 . 2 15 15 ASN HA H 1 4.661 0.007 . 1 . . . . . 220 ASN HA . 50548 2 137 . 2 . 2 15 15 ASN HB2 H 1 2.648 0.003 . 2 . . . . . 220 ASN HB2 . 50548 2 138 . 2 . 2 15 15 ASN HB3 H 1 2.742 0.010 . 2 . . . . . 220 ASN HB3 . 50548 2 139 . 2 . 2 15 15 ASN HD21 H 1 6.942 0.001 . 1 . . . . . 220 ASN HD21 . 50548 2 140 . 2 . 2 15 15 ASN HD22 H 1 7.819 0.002 . 1 . . . . . 220 ASN HD22 . 50548 2 141 . 2 . 2 15 15 ASN CA C 13 54.549 0.084 . 1 . . . . . 220 ASN CA . 50548 2 142 . 2 . 2 15 15 ASN CB C 13 39.948 0.095 . 1 . . . . . 220 ASN CB . 50548 2 143 . 2 . 2 15 15 ASN N N 15 113.497 0.016 . 1 . . . . . 220 ASN N . 50548 2 144 . 2 . 2 15 15 ASN ND2 N 15 115.361 0.034 . 1 . . . . . 220 ASN ND2 . 50548 2 145 . 2 . 2 16 16 THR H H 1 7.720 0.002 . 1 . . . . . 221 THR H . 50548 2 146 . 2 . 2 16 16 THR HA H 1 4.399 0.002 . 1 . . . . . 221 THR HA . 50548 2 147 . 2 . 2 16 16 THR HB H 1 4.339 0.005 . 1 . . . . . 221 THR HB . 50548 2 148 . 2 . 2 16 16 THR HG21 H 1 0.990 0.003 . 1 . . . . . 221 THR HG21 . 50548 2 149 . 2 . 2 16 16 THR HG22 H 1 0.990 0.003 . 1 . . . . . 221 THR HG22 . 50548 2 150 . 2 . 2 16 16 THR HG23 H 1 0.990 0.003 . 1 . . . . . 221 THR HG23 . 50548 2 151 . 2 . 2 16 16 THR CA C 13 61.507 0.093 . 1 . . . . . 221 THR CA . 50548 2 152 . 2 . 2 16 16 THR CB C 13 69.813 0.066 . 1 . . . . . 221 THR CB . 50548 2 153 . 2 . 2 16 16 THR CG2 C 13 21.504 0.048 . 1 . . . . . 221 THR CG2 . 50548 2 154 . 2 . 2 16 16 THR N N 15 108.161 0.012 . 1 . . . . . 221 THR N . 50548 2 155 . 2 . 2 17 17 GLY H H 1 7.982 0.002 . 1 . . . . . 222 GLY H . 50548 2 156 . 2 . 2 17 17 GLY HA2 H 1 3.419 0.004 . 2 . . . . . 222 GLY HA2 . 50548 2 157 . 2 . 2 17 17 GLY HA3 H 1 4.208 0.004 . 2 . . . . . 222 GLY HA3 . 50548 2 158 . 2 . 2 17 17 GLY CA C 13 45.317 0.051 . 1 . . . . . 222 GLY CA . 50548 2 159 . 2 . 2 17 17 GLY N N 15 110.922 0.024 . 1 . . . . . 222 GLY N . 50548 2 160 . 2 . 2 18 18 PHE H H 1 8.691 0.002 . 1 . . . . . 223 PHE H . 50548 2 161 . 2 . 2 18 18 PHE HA H 1 4.725 0.002 . 1 . . . . . 223 PHE HA . 50548 2 162 . 2 . 2 18 18 PHE HB2 H 1 2.939 0.006 . 1 . . . . . 223 PHE HB2 . 50548 2 163 . 2 . 2 18 18 PHE HB3 H 1 2.939 0.006 . 1 . . . . . 223 PHE HB3 . 50548 2 164 . 2 . 2 18 18 PHE HD1 H 1 7.737 0.004 . 1 . . . . . 223 PHE HD1 . 50548 2 165 . 2 . 2 18 18 PHE HD2 H 1 7.737 0.004 . 1 . . . . . 223 PHE HD2 . 50548 2 166 . 2 . 2 18 18 PHE HE1 H 1 7.450 0.003 . 1 . . . . . 223 PHE HE1 . 50548 2 167 . 2 . 2 18 18 PHE HE2 H 1 7.450 0.003 . 1 . . . . . 223 PHE HE2 . 50548 2 168 . 2 . 2 18 18 PHE CA C 13 59.871 0.064 . 1 . . . . . 223 PHE CA . 50548 2 169 . 2 . 2 18 18 PHE CB C 13 40.589 0.071 . 1 . . . . . 223 PHE CB . 50548 2 170 . 2 . 2 18 18 PHE CD1 C 13 132.652 0.110 . 1 . . . . . 223 PHE CD1 . 50548 2 171 . 2 . 2 18 18 PHE CD2 C 13 132.652 0.110 . 1 . . . . . 223 PHE CD2 . 50548 2 172 . 2 . 2 18 18 PHE CE1 C 13 131.205 0.127 . 1 . . . . . 223 PHE CE1 . 50548 2 173 . 2 . 2 18 18 PHE CE2 C 13 131.205 0.127 . 1 . . . . . 223 PHE CE2 . 50548 2 174 . 2 . 2 18 18 PHE N N 15 121.327 0.016 . 1 . . . . . 223 PHE N . 50548 2 175 . 2 . 2 19 19 ASP H H 1 8.382 0.002 . 1 . . . . . 224 ASP H . 50548 2 176 . 2 . 2 19 19 ASP HA H 1 4.636 0.004 . 1 . . . . . 224 ASP HA . 50548 2 177 . 2 . 2 19 19 ASP HB2 H 1 2.610 0.003 . 2 . . . . . 224 ASP HB2 . 50548 2 178 . 2 . 2 19 19 ASP HB3 H 1 2.971 0.007 . 2 . . . . . 224 ASP HB3 . 50548 2 179 . 2 . 2 19 19 ASP C C 13 175.139 0.000 . 1 . . . . . 224 ASP C . 50548 2 180 . 2 . 2 19 19 ASP CA C 13 52.834 0.053 . 1 . . . . . 224 ASP CA . 50548 2 181 . 2 . 2 19 19 ASP CB C 13 40.124 0.054 . 1 . . . . . 224 ASP CB . 50548 2 182 . 2 . 2 19 19 ASP N N 15 119.855 0.032 . 1 . . . . . 224 ASP N . 50548 2 183 . 2 . 2 20 20 LEU H H 1 8.533 0.003 . 1 . . . . . 225 LEU H . 50548 2 184 . 2 . 2 20 20 LEU HA H 1 4.100 0.002 . 1 . . . . . 225 LEU HA . 50548 2 185 . 2 . 2 20 20 LEU HB2 H 1 1.647 0.005 . 2 . . . . . 225 LEU HB2 . 50548 2 186 . 2 . 2 20 20 LEU HB3 H 1 1.785 0.006 . 2 . . . . . 225 LEU HB3 . 50548 2 187 . 2 . 2 20 20 LEU HG H 1 1.862 0.003 . 1 . . . . . 225 LEU HG . 50548 2 188 . 2 . 2 20 20 LEU HD11 H 1 0.894 0.004 . 2 . . . . . 225 LEU HD11 . 50548 2 189 . 2 . 2 20 20 LEU HD12 H 1 0.894 0.004 . 2 . . . . . 225 LEU HD12 . 50548 2 190 . 2 . 2 20 20 LEU HD13 H 1 0.894 0.004 . 2 . . . . . 225 LEU HD13 . 50548 2 191 . 2 . 2 20 20 LEU HD21 H 1 0.999 0.003 . 2 . . . . . 225 LEU HD21 . 50548 2 192 . 2 . 2 20 20 LEU HD22 H 1 0.999 0.003 . 2 . . . . . 225 LEU HD22 . 50548 2 193 . 2 . 2 20 20 LEU HD23 H 1 0.999 0.003 . 2 . . . . . 225 LEU HD23 . 50548 2 194 . 2 . 2 20 20 LEU CA C 13 56.898 0.044 . 1 . . . . . 225 LEU CA . 50548 2 195 . 2 . 2 20 20 LEU CB C 13 40.529 0.059 . 1 . . . . . 225 LEU CB . 50548 2 196 . 2 . 2 20 20 LEU CG C 13 27.273 0.066 . 1 . . . . . 225 LEU CG . 50548 2 197 . 2 . 2 20 20 LEU CD1 C 13 23.767 0.109 . 2 . . . . . 225 LEU CD1 . 50548 2 198 . 2 . 2 20 20 LEU CD2 C 13 25.468 0.062 . 2 . . . . . 225 LEU CD2 . 50548 2 199 . 2 . 2 20 20 LEU N N 15 125.135 0.015 . 1 . . . . . 225 LEU N . 50548 2 200 . 2 . 2 21 21 ASN H H 1 8.313 0.001 . 1 . . . . . 226 ASN H . 50548 2 201 . 2 . 2 21 21 ASN HA H 1 4.638 0.003 . 1 . . . . . 226 ASN HA . 50548 2 202 . 2 . 2 21 21 ASN HB2 H 1 2.837 0.003 . 1 . . . . . 226 ASN HB2 . 50548 2 203 . 2 . 2 21 21 ASN HB3 H 1 2.837 0.003 . 1 . . . . . 226 ASN HB3 . 50548 2 204 . 2 . 2 21 21 ASN HD21 H 1 7.823 0.002 . 1 . . . . . 226 ASN HD21 . 50548 2 205 . 2 . 2 21 21 ASN HD22 H 1 6.987 0.002 . 1 . . . . . 226 ASN HD22 . 50548 2 206 . 2 . 2 21 21 ASN CA C 13 54.746 0.056 . 1 . . . . . 226 ASN CA . 50548 2 207 . 2 . 2 21 21 ASN CB C 13 38.858 0.047 . 1 . . . . . 226 ASN CB . 50548 2 208 . 2 . 2 21 21 ASN N N 15 115.815 0.023 . 1 . . . . . 226 ASN N . 50548 2 209 . 2 . 2 21 21 ASN ND2 N 15 114.335 0.029 . 1 . . . . . 226 ASN ND2 . 50548 2 210 . 2 . 2 22 22 ASN H H 1 7.548 0.002 . 1 . . . . . 227 ASN H . 50548 2 211 . 2 . 2 22 22 ASN HA H 1 4.927 0.003 . 1 . . . . . 227 ASN HA . 50548 2 212 . 2 . 2 22 22 ASN HB2 H 1 2.391 0.002 . 2 . . . . . 227 ASN HB2 . 50548 2 213 . 2 . 2 22 22 ASN HB3 H 1 2.870 0.003 . 2 . . . . . 227 ASN HB3 . 50548 2 214 . 2 . 2 22 22 ASN HD21 H 1 8.127 0.001 . 1 . . . . . 227 ASN HD21 . 50548 2 215 . 2 . 2 22 22 ASN HD22 H 1 6.840 0.003 . 1 . . . . . 227 ASN HD22 . 50548 2 216 . 2 . 2 22 22 ASN CA C 13 52.498 0.089 . 1 . . . . . 227 ASN CA . 50548 2 217 . 2 . 2 22 22 ASN CB C 13 39.839 0.080 . 1 . . . . . 227 ASN CB . 50548 2 218 . 2 . 2 22 22 ASN N N 15 117.784 0.018 . 1 . . . . . 227 ASN N . 50548 2 219 . 2 . 2 22 22 ASN ND2 N 15 115.072 0.030 . 1 . . . . . 227 ASN ND2 . 50548 2 220 . 2 . 2 23 23 LEU H H 1 7.382 0.002 . 1 . . . . . 228 LEU H . 50548 2 221 . 2 . 2 23 23 LEU HA H 1 4.431 0.003 . 1 . . . . . 228 LEU HA . 50548 2 222 . 2 . 2 23 23 LEU HB2 H 1 1.584 0.004 . 2 . . . . . 228 LEU HB2 . 50548 2 223 . 2 . 2 23 23 LEU HB3 H 1 1.701 0.007 . 2 . . . . . 228 LEU HB3 . 50548 2 224 . 2 . 2 23 23 LEU HG H 1 1.873 0.004 . 1 . . . . . 228 LEU HG . 50548 2 225 . 2 . 2 23 23 LEU HD11 H 1 1.063 0.004 . 2 . . . . . 228 LEU HD11 . 50548 2 226 . 2 . 2 23 23 LEU HD12 H 1 1.063 0.004 . 2 . . . . . 228 LEU HD12 . 50548 2 227 . 2 . 2 23 23 LEU HD13 H 1 1.063 0.004 . 2 . . . . . 228 LEU HD13 . 50548 2 228 . 2 . 2 23 23 LEU HD21 H 1 0.922 0.003 . 2 . . . . . 228 LEU HD21 . 50548 2 229 . 2 . 2 23 23 LEU HD22 H 1 0.922 0.003 . 2 . . . . . 228 LEU HD22 . 50548 2 230 . 2 . 2 23 23 LEU HD23 H 1 0.922 0.003 . 2 . . . . . 228 LEU HD23 . 50548 2 231 . 2 . 2 23 23 LEU CA C 13 54.827 0.062 . 1 . . . . . 228 LEU CA . 50548 2 232 . 2 . 2 23 23 LEU CB C 13 43.545 0.047 . 1 . . . . . 228 LEU CB . 50548 2 233 . 2 . 2 23 23 LEU CG C 13 26.278 0.078 . 1 . . . . . 228 LEU CG . 50548 2 234 . 2 . 2 23 23 LEU CD1 C 13 25.165 0.095 . 2 . . . . . 228 LEU CD1 . 50548 2 235 . 2 . 2 23 23 LEU CD2 C 13 25.995 0.073 . 2 . . . . . 228 LEU CD2 . 50548 2 236 . 2 . 2 23 23 LEU N N 15 121.877 0.010 . 1 . . . . . 228 LEU N . 50548 2 237 . 2 . 2 24 24 ASP H H 1 8.787 0.002 . 1 . . . . . 229 ASP H . 50548 2 238 . 2 . 2 24 24 ASP HA H 1 4.697 0.004 . 1 . . . . . 229 ASP HA . 50548 2 239 . 2 . 2 24 24 ASP HB2 H 1 2.552 0.003 . 2 . . . . . 229 ASP HB2 . 50548 2 240 . 2 . 2 24 24 ASP HB3 H 1 2.815 0.003 . 2 . . . . . 229 ASP HB3 . 50548 2 241 . 2 . 2 24 24 ASP CA C 13 53.099 0.065 . 1 . . . . . 229 ASP CA . 50548 2 242 . 2 . 2 24 24 ASP CB C 13 42.910 0.037 . 1 . . . . . 229 ASP CB . 50548 2 243 . 2 . 2 24 24 ASP N N 15 128.457 0.022 . 1 . . . . . 229 ASP N . 50548 2 244 . 2 . 2 25 25 PRO HA H 1 4.185 0.002 . 1 . . . . . 230 PRO HA . 50548 2 245 . 2 . 2 25 25 PRO HB2 H 1 1.986 0.005 . 2 . . . . . 230 PRO HB2 . 50548 2 246 . 2 . 2 25 25 PRO HB3 H 1 2.397 0.004 . 2 . . . . . 230 PRO HB3 . 50548 2 247 . 2 . 2 25 25 PRO HG2 H 1 2.072 0.004 . 2 . . . . . 230 PRO HG2 . 50548 2 248 . 2 . 2 25 25 PRO HG3 H 1 2.151 0.004 . 2 . . . . . 230 PRO HG3 . 50548 2 249 . 2 . 2 25 25 PRO HD2 H 1 3.842 0.004 . 2 . . . . . 230 PRO HD2 . 50548 2 250 . 2 . 2 25 25 PRO HD3 H 1 3.953 0.004 . 2 . . . . . 230 PRO HD3 . 50548 2 251 . 2 . 2 25 25 PRO CA C 13 65.408 0.064 . 1 . . . . . 230 PRO CA . 50548 2 252 . 2 . 2 25 25 PRO CB C 13 32.376 0.029 . 1 . . . . . 230 PRO CB . 50548 2 253 . 2 . 2 25 25 PRO CG C 13 27.634 0.052 . 1 . . . . . 230 PRO CG . 50548 2 254 . 2 . 2 25 25 PRO CD C 13 51.294 0.056 . 1 . . . . . 230 PRO CD . 50548 2 255 . 2 . 2 26 26 GLU H H 1 8.868 0.002 . 1 . . . . . 231 GLU H . 50548 2 256 . 2 . 2 26 26 GLU HA H 1 4.166 0.003 . 1 . . . . . 231 GLU HA . 50548 2 257 . 2 . 2 26 26 GLU HB2 H 1 1.991 0.006 . 2 . . . . . 231 GLU HB2 . 50548 2 258 . 2 . 2 26 26 GLU HB3 H 1 1.990 0.005 . 2 . . . . . 231 GLU HB3 . 50548 2 259 . 2 . 2 26 26 GLU HG2 H 1 2.271 0.013 . 2 . . . . . 231 GLU HG2 . 50548 2 260 . 2 . 2 26 26 GLU HG3 H 1 2.330 0.019 . 2 . . . . . 231 GLU HG3 . 50548 2 261 . 2 . 2 26 26 GLU CA C 13 59.052 0.050 . 1 . . . . . 231 GLU CA . 50548 2 262 . 2 . 2 26 26 GLU CB C 13 29.187 0.030 . 1 . . . . . 231 GLU CB . 50548 2 263 . 2 . 2 26 26 GLU CG C 13 36.505 0.062 . 1 . . . . . 231 GLU CG . 50548 2 264 . 2 . 2 26 26 GLU N N 15 117.743 0.013 . 1 . . . . . 231 GLU N . 50548 2 265 . 2 . 2 27 27 LEU H H 1 7.536 0.002 . 1 . . . . . 232 LEU H . 50548 2 266 . 2 . 2 27 27 LEU HA H 1 3.719 0.002 . 1 . . . . . 232 LEU HA . 50548 2 267 . 2 . 2 27 27 LEU HB2 H 1 1.122 0.004 . 2 . . . . . 232 LEU HB2 . 50548 2 268 . 2 . 2 27 27 LEU HB3 H 1 1.559 0.004 . 2 . . . . . 232 LEU HB3 . 50548 2 269 . 2 . 2 27 27 LEU HG H 1 1.164 0.004 . 1 . . . . . 232 LEU HG . 50548 2 270 . 2 . 2 27 27 LEU HD11 H 1 0.772 0.004 . 2 . . . . . 232 LEU HD11 . 50548 2 271 . 2 . 2 27 27 LEU HD12 H 1 0.772 0.004 . 2 . . . . . 232 LEU HD12 . 50548 2 272 . 2 . 2 27 27 LEU HD13 H 1 0.772 0.004 . 2 . . . . . 232 LEU HD13 . 50548 2 273 . 2 . 2 27 27 LEU HD21 H 1 0.687 0.004 . 2 . . . . . 232 LEU HD21 . 50548 2 274 . 2 . 2 27 27 LEU HD22 H 1 0.687 0.004 . 2 . . . . . 232 LEU HD22 . 50548 2 275 . 2 . 2 27 27 LEU HD23 H 1 0.687 0.004 . 2 . . . . . 232 LEU HD23 . 50548 2 276 . 2 . 2 27 27 LEU CA C 13 56.721 0.065 . 1 . . . . . 232 LEU CA . 50548 2 277 . 2 . 2 27 27 LEU CB C 13 41.045 0.084 . 1 . . . . . 232 LEU CB . 50548 2 278 . 2 . 2 27 27 LEU CG C 13 26.711 0.074 . 1 . . . . . 232 LEU CG . 50548 2 279 . 2 . 2 27 27 LEU CD1 C 13 25.160 0.061 . 2 . . . . . 232 LEU CD1 . 50548 2 280 . 2 . 2 27 27 LEU CD2 C 13 24.261 0.081 . 2 . . . . . 232 LEU CD2 . 50548 2 281 . 2 . 2 27 27 LEU N N 15 120.927 0.016 . 1 . . . . . 232 LEU N . 50548 2 282 . 2 . 2 28 28 LYS H H 1 7.942 0.002 . 1 . . . . . 233 LYS H . 50548 2 283 . 2 . 2 28 28 LYS HA H 1 3.684 0.004 . 1 . . . . . 233 LYS HA . 50548 2 284 . 2 . 2 28 28 LYS HB2 H 1 1.913 0.009 . 2 . . . . . 233 LYS HB2 . 50548 2 285 . 2 . 2 28 28 LYS HB3 H 1 1.684 0.005 . 2 . . . . . 233 LYS HB3 . 50548 2 286 . 2 . 2 28 28 LYS HG2 H 1 1.463 0.005 . 1 . . . . . 233 LYS HG2 . 50548 2 287 . 2 . 2 28 28 LYS HG3 H 1 1.463 0.005 . 1 . . . . . 233 LYS HG3 . 50548 2 288 . 2 . 2 28 28 LYS HD2 H 1 1.604 0.004 . 2 . . . . . 233 LYS HD2 . 50548 2 289 . 2 . 2 28 28 LYS HD3 H 1 1.821 0.006 . 2 . . . . . 233 LYS HD3 . 50548 2 290 . 2 . 2 28 28 LYS HE2 H 1 3.050 0.003 . 1 . . . . . 233 LYS HE2 . 50548 2 291 . 2 . 2 28 28 LYS HE3 H 1 3.050 0.003 . 1 . . . . . 233 LYS HE3 . 50548 2 292 . 2 . 2 28 28 LYS CA C 13 59.786 0.038 . 1 . . . . . 233 LYS CA . 50548 2 293 . 2 . 2 28 28 LYS CB C 13 32.168 0.107 . 1 . . . . . 233 LYS CB . 50548 2 294 . 2 . 2 28 28 LYS CG C 13 25.026 0.052 . 1 . . . . . 233 LYS CG . 50548 2 295 . 2 . 2 28 28 LYS CD C 13 28.742 0.037 . 1 . . . . . 233 LYS CD . 50548 2 296 . 2 . 2 28 28 LYS CE C 13 42.477 0.077 . 1 . . . . . 233 LYS CE . 50548 2 297 . 2 . 2 28 28 LYS N N 15 118.659 0.026 . 1 . . . . . 233 LYS N . 50548 2 298 . 2 . 2 29 29 ASN H H 1 7.915 0.002 . 1 . . . . . 234 ASN H . 50548 2 299 . 2 . 2 29 29 ASN HA H 1 4.437 0.003 . 1 . . . . . 234 ASN HA . 50548 2 300 . 2 . 2 29 29 ASN HB2 H 1 2.782 0.003 . 2 . . . . . 234 ASN HB2 . 50548 2 301 . 2 . 2 29 29 ASN HB3 H 1 2.857 0.004 . 2 . . . . . 234 ASN HB3 . 50548 2 302 . 2 . 2 29 29 ASN HD21 H 1 6.847 0.000 . 1 . . . . . 234 ASN HD21 . 50548 2 303 . 2 . 2 29 29 ASN HD22 H 1 7.776 0.002 . 1 . . . . . 234 ASN HD22 . 50548 2 304 . 2 . 2 29 29 ASN CA C 13 56.334 0.055 . 1 . . . . . 234 ASN CA . 50548 2 305 . 2 . 2 29 29 ASN CB C 13 38.432 0.073 . 1 . . . . . 234 ASN CB . 50548 2 306 . 2 . 2 29 29 ASN N N 15 115.238 0.032 . 1 . . . . . 234 ASN N . 50548 2 307 . 2 . 2 29 29 ASN ND2 N 15 112.923 0.012 . 1 . . . . . 234 ASN ND2 . 50548 2 308 . 2 . 2 30 30 LEU H H 1 7.393 0.002 . 1 . . . . . 235 LEU H . 50548 2 309 . 2 . 2 30 30 LEU HA H 1 4.065 0.006 . 1 . . . . . 235 LEU HA . 50548 2 310 . 2 . 2 30 30 LEU HB2 H 1 1.840 0.008 . 2 . . . . . 235 LEU HB2 . 50548 2 311 . 2 . 2 30 30 LEU HB3 H 1 1.507 0.011 . 2 . . . . . 235 LEU HB3 . 50548 2 312 . 2 . 2 30 30 LEU HG H 1 1.454 0.004 . 1 . . . . . 235 LEU HG . 50548 2 313 . 2 . 2 30 30 LEU HD11 H 1 0.862 0.005 . 2 . . . . . 235 LEU HD11 . 50548 2 314 . 2 . 2 30 30 LEU HD12 H 1 0.862 0.005 . 2 . . . . . 235 LEU HD12 . 50548 2 315 . 2 . 2 30 30 LEU HD13 H 1 0.862 0.005 . 2 . . . . . 235 LEU HD13 . 50548 2 316 . 2 . 2 30 30 LEU HD21 H 1 0.747 0.005 . 2 . . . . . 235 LEU HD21 . 50548 2 317 . 2 . 2 30 30 LEU HD22 H 1 0.747 0.005 . 2 . . . . . 235 LEU HD22 . 50548 2 318 . 2 . 2 30 30 LEU HD23 H 1 0.747 0.005 . 2 . . . . . 235 LEU HD23 . 50548 2 319 . 2 . 2 30 30 LEU CA C 13 58.390 0.058 . 1 . . . . . 235 LEU CA . 50548 2 320 . 2 . 2 30 30 LEU CB C 13 41.184 0.085 . 1 . . . . . 235 LEU CB . 50548 2 321 . 2 . 2 30 30 LEU CG C 13 27.262 0.069 . 1 . . . . . 235 LEU CG . 50548 2 322 . 2 . 2 30 30 LEU CD1 C 13 23.663 0.023 . 2 . . . . . 235 LEU CD1 . 50548 2 323 . 2 . 2 30 30 LEU CD2 C 13 25.751 0.068 . 2 . . . . . 235 LEU CD2 . 50548 2 324 . 2 . 2 30 30 LEU N N 15 121.887 0.011 . 1 . . . . . 235 LEU N . 50548 2 325 . 2 . 2 31 31 PHE H H 1 8.403 0.001 . 1 . . . . . 236 PHE H . 50548 2 326 . 2 . 2 31 31 PHE HA H 1 4.376 0.003 . 1 . . . . . 236 PHE HA . 50548 2 327 . 2 . 2 31 31 PHE HB2 H 1 3.107 0.006 . 2 . . . . . 236 PHE HB2 . 50548 2 328 . 2 . 2 31 31 PHE HB3 H 1 3.287 0.008 . 2 . . . . . 236 PHE HB3 . 50548 2 329 . 2 . 2 31 31 PHE HD1 H 1 6.746 0.004 . 1 . . . . . 236 PHE HD1 . 50548 2 330 . 2 . 2 31 31 PHE HD2 H 1 6.746 0.004 . 1 . . . . . 236 PHE HD2 . 50548 2 331 . 2 . 2 31 31 PHE HE1 H 1 6.569 0.003 . 1 . . . . . 236 PHE HE1 . 50548 2 332 . 2 . 2 31 31 PHE HE2 H 1 6.569 0.003 . 1 . . . . . 236 PHE HE2 . 50548 2 333 . 2 . 2 31 31 PHE CA C 13 57.809 0.048 . 1 . . . . . 236 PHE CA . 50548 2 334 . 2 . 2 31 31 PHE CB C 13 36.063 0.057 . 1 . . . . . 236 PHE CB . 50548 2 335 . 2 . 2 31 31 PHE CD1 C 13 130.095 0.120 . 1 . . . . . 236 PHE CD1 . 50548 2 336 . 2 . 2 31 31 PHE CD2 C 13 130.095 0.120 . 1 . . . . . 236 PHE CD2 . 50548 2 337 . 2 . 2 31 31 PHE CE1 C 13 130.002 0.150 . 1 . . . . . 236 PHE CE1 . 50548 2 338 . 2 . 2 31 31 PHE CE2 C 13 130.002 0.150 . 1 . . . . . 236 PHE CE2 . 50548 2 339 . 2 . 2 31 31 PHE N N 15 118.610 0.023 . 1 . . . . . 236 PHE N . 50548 2 340 . 2 . 2 32 32 ASP H H 1 8.681 0.002 . 1 . . . . . 237 ASP H . 50548 2 341 . 2 . 2 32 32 ASP HA H 1 4.508 0.003 . 1 . . . . . 237 ASP HA . 50548 2 342 . 2 . 2 32 32 ASP HB2 H 1 2.723 0.004 . 2 . . . . . 237 ASP HB2 . 50548 2 343 . 2 . 2 32 32 ASP HB3 H 1 2.884 0.008 . 2 . . . . . 237 ASP HB3 . 50548 2 344 . 2 . 2 32 32 ASP CA C 13 57.567 0.053 . 1 . . . . . 237 ASP CA . 50548 2 345 . 2 . 2 32 32 ASP CB C 13 40.244 0.078 . 1 . . . . . 237 ASP CB . 50548 2 346 . 2 . 2 32 32 ASP N N 15 120.232 0.019 . 1 . . . . . 237 ASP N . 50548 2 347 . 2 . 2 33 33 MET H H 1 8.492 0.002 . 1 . . . . . 238 MET H . 50548 2 348 . 2 . 2 33 33 MET HA H 1 4.214 0.004 . 1 . . . . . 238 MET HA . 50548 2 349 . 2 . 2 33 33 MET HB2 H 1 2.165 0.003 . 2 . . . . . 238 MET HB2 . 50548 2 350 . 2 . 2 33 33 MET HB3 H 1 2.381 0.005 . 2 . . . . . 238 MET HB3 . 50548 2 351 . 2 . 2 33 33 MET HG2 H 1 2.688 0.005 . 2 . . . . . 238 MET HG2 . 50548 2 352 . 2 . 2 33 33 MET HG3 H 1 2.814 0.005 . 2 . . . . . 238 MET HG3 . 50548 2 353 . 2 . 2 33 33 MET CA C 13 59.106 0.024 . 1 . . . . . 238 MET CA . 50548 2 354 . 2 . 2 33 33 MET CB C 13 33.054 0.082 . 1 . . . . . 238 MET CB . 50548 2 355 . 2 . 2 33 33 MET CG C 13 31.669 0.076 . 1 . . . . . 238 MET CG . 50548 2 356 . 2 . 2 33 33 MET N N 15 120.819 0.027 . 1 . . . . . 238 MET N . 50548 2 357 . 2 . 2 34 34 CYS H H 1 7.745 0.002 . 1 . . . . . 239 CYS H . 50548 2 358 . 2 . 2 34 34 CYS HA H 1 4.122 0.008 . 1 . . . . . 239 CYS HA . 50548 2 359 . 2 . 2 34 34 CYS HB2 H 1 2.892 0.016 . 2 . . . . . 239 CYS HB2 . 50548 2 360 . 2 . 2 34 34 CYS HB3 H 1 2.908 0.007 . 2 . . . . . 239 CYS HB3 . 50548 2 361 . 2 . 2 34 34 CYS CA C 13 61.640 0.048 . 1 . . . . . 239 CYS CA . 50548 2 362 . 2 . 2 34 34 CYS CB C 13 28.649 0.047 . 1 . . . . . 239 CYS CB . 50548 2 363 . 2 . 2 34 34 CYS N N 15 114.169 0.020 . 1 . . . . . 239 CYS N . 50548 2 364 . 2 . 2 35 35 GLY H H 1 7.941 0.002 . 1 . . . . . 240 GLY H . 50548 2 365 . 2 . 2 35 35 GLY HA2 H 1 3.895 0.013 . 2 . . . . . 240 GLY HA2 . 50548 2 366 . 2 . 2 35 35 GLY HA3 H 1 3.954 0.026 . 2 . . . . . 240 GLY HA3 . 50548 2 367 . 2 . 2 35 35 GLY C C 13 174.658 0.000 . 1 . . . . . 240 GLY C . 50548 2 368 . 2 . 2 35 35 GLY CA C 13 46.358 0.046 . 1 . . . . . 240 GLY CA . 50548 2 369 . 2 . 2 35 35 GLY N N 15 109.231 0.017 . 1 . . . . . 240 GLY N . 50548 2 370 . 2 . 2 36 36 ILE H H 1 7.818 0.002 . 1 . . . . . 241 ILE H . 50548 2 371 . 2 . 2 36 36 ILE HA H 1 4.062 0.002 . 1 . . . . . 241 ILE HA . 50548 2 372 . 2 . 2 36 36 ILE HB H 1 1.464 0.005 . 1 . . . . . 241 ILE HB . 50548 2 373 . 2 . 2 36 36 ILE HG12 H 1 0.842 0.007 . 2 . . . . . 241 ILE HG12 . 50548 2 374 . 2 . 2 36 36 ILE HG13 H 1 1.443 0.007 . 2 . . . . . 241 ILE HG13 . 50548 2 375 . 2 . 2 36 36 ILE HG21 H 1 0.567 0.004 . 1 . . . . . 241 ILE HG21 . 50548 2 376 . 2 . 2 36 36 ILE HG22 H 1 0.567 0.004 . 1 . . . . . 241 ILE HG22 . 50548 2 377 . 2 . 2 36 36 ILE HG23 H 1 0.567 0.004 . 1 . . . . . 241 ILE HG23 . 50548 2 378 . 2 . 2 36 36 ILE HD11 H 1 0.656 0.004 . 1 . . . . . 241 ILE HD11 . 50548 2 379 . 2 . 2 36 36 ILE HD12 H 1 0.656 0.004 . 1 . . . . . 241 ILE HD12 . 50548 2 380 . 2 . 2 36 36 ILE HD13 H 1 0.656 0.004 . 1 . . . . . 241 ILE HD13 . 50548 2 381 . 2 . 2 36 36 ILE CA C 13 61.468 0.062 . 1 . . . . . 241 ILE CA . 50548 2 382 . 2 . 2 36 36 ILE CB C 13 38.374 0.060 . 1 . . . . . 241 ILE CB . 50548 2 383 . 2 . 2 36 36 ILE CG1 C 13 28.527 0.101 . 1 . . . . . 241 ILE CG1 . 50548 2 384 . 2 . 2 36 36 ILE CG2 C 13 17.346 0.042 . 1 . . . . . 241 ILE CG2 . 50548 2 385 . 2 . 2 36 36 ILE CD1 C 13 14.039 0.039 . 1 . . . . . 241 ILE CD1 . 50548 2 386 . 2 . 2 36 36 ILE N N 15 121.550 0.012 . 1 . . . . . 241 ILE N . 50548 2 387 . 2 . 2 37 37 SER H H 1 8.889 0.002 . 1 . . . . . 242 SER H . 50548 2 388 . 2 . 2 37 37 SER HA H 1 4.603 0.002 . 1 . . . . . 242 SER HA . 50548 2 389 . 2 . 2 37 37 SER HB2 H 1 3.994 0.006 . 2 . . . . . 242 SER HB2 . 50548 2 390 . 2 . 2 37 37 SER HB3 H 1 4.353 0.004 . 2 . . . . . 242 SER HB3 . 50548 2 391 . 2 . 2 37 37 SER CA C 13 56.836 0.085 . 1 . . . . . 242 SER CA . 50548 2 392 . 2 . 2 37 37 SER CB C 13 66.537 0.046 . 1 . . . . . 242 SER CB . 50548 2 393 . 2 . 2 37 37 SER N N 15 125.493 0.027 . 1 . . . . . 242 SER N . 50548 2 394 . 2 . 2 38 38 GLU H H 1 8.850 0.001 . 1 . . . . . 243 GLU H . 50548 2 395 . 2 . 2 38 38 GLU HA H 1 3.822 0.002 . 1 . . . . . 243 GLU HA . 50548 2 396 . 2 . 2 38 38 GLU HB2 H 1 1.981 0.005 . 2 . . . . . 243 GLU HB2 . 50548 2 397 . 2 . 2 38 38 GLU HB3 H 1 2.082 0.002 . 2 . . . . . 243 GLU HB3 . 50548 2 398 . 2 . 2 38 38 GLU HG2 H 1 2.183 0.003 . 2 . . . . . 243 GLU HG2 . 50548 2 399 . 2 . 2 38 38 GLU HG3 H 1 2.393 0.004 . 2 . . . . . 243 GLU HG3 . 50548 2 400 . 2 . 2 38 38 GLU CA C 13 60.433 0.041 . 1 . . . . . 243 GLU CA . 50548 2 401 . 2 . 2 38 38 GLU CB C 13 29.400 0.076 . 1 . . . . . 243 GLU CB . 50548 2 402 . 2 . 2 38 38 GLU CG C 13 37.145 0.056 . 1 . . . . . 243 GLU CG . 50548 2 403 . 2 . 2 38 38 GLU N N 15 120.723 0.012 . 1 . . . . . 243 GLU N . 50548 2 404 . 2 . 2 39 39 ALA H H 1 8.097 0.001 . 1 . . . . . 244 ALA H . 50548 2 405 . 2 . 2 39 39 ALA HA H 1 4.031 0.003 . 1 . . . . . 244 ALA HA . 50548 2 406 . 2 . 2 39 39 ALA HB1 H 1 1.411 0.003 . 1 . . . . . 244 ALA HB1 . 50548 2 407 . 2 . 2 39 39 ALA HB2 H 1 1.411 0.003 . 1 . . . . . 244 ALA HB2 . 50548 2 408 . 2 . 2 39 39 ALA HB3 H 1 1.411 0.003 . 1 . . . . . 244 ALA HB3 . 50548 2 409 . 2 . 2 39 39 ALA CA C 13 55.274 0.080 . 1 . . . . . 244 ALA CA . 50548 2 410 . 2 . 2 39 39 ALA CB C 13 18.170 0.077 . 1 . . . . . 244 ALA CB . 50548 2 411 . 2 . 2 39 39 ALA N N 15 118.663 0.013 . 1 . . . . . 244 ALA N . 50548 2 412 . 2 . 2 40 40 GLN H H 1 7.585 0.002 . 1 . . . . . 245 GLN H . 50548 2 413 . 2 . 2 40 40 GLN HA H 1 4.010 0.008 . 1 . . . . . 245 GLN HA . 50548 2 414 . 2 . 2 40 40 GLN HB2 H 1 1.611 0.003 . 2 . . . . . 245 GLN HB2 . 50548 2 415 . 2 . 2 40 40 GLN HB3 H 1 2.502 0.008 . 2 . . . . . 245 GLN HB3 . 50548 2 416 . 2 . 2 40 40 GLN HG2 H 1 2.421 0.002 . 2 . . . . . 245 GLN HG2 . 50548 2 417 . 2 . 2 40 40 GLN HG3 H 1 2.451 0.003 . 2 . . . . . 245 GLN HG3 . 50548 2 418 . 2 . 2 40 40 GLN HE21 H 1 6.844 0.000 . 1 . . . . . 245 GLN HE21 . 50548 2 419 . 2 . 2 40 40 GLN HE22 H 1 7.970 0.000 . 1 . . . . . 245 GLN HE22 . 50548 2 420 . 2 . 2 40 40 GLN CA C 13 59.279 0.086 . 1 . . . . . 245 GLN CA . 50548 2 421 . 2 . 2 40 40 GLN CB C 13 30.093 0.077 . 1 . . . . . 245 GLN CB . 50548 2 422 . 2 . 2 40 40 GLN CG C 13 35.797 0.042 . 1 . . . . . 245 GLN CG . 50548 2 423 . 2 . 2 40 40 GLN N N 15 117.177 0.021 . 1 . . . . . 245 GLN N . 50548 2 424 . 2 . 2 40 40 GLN NE2 N 15 112.631 0.000 . 1 . . . . . 245 GLN NE2 . 50548 2 425 . 2 . 2 41 41 LEU H H 1 7.395 0.002 . 1 . . . . . 246 LEU H . 50548 2 426 . 2 . 2 41 41 LEU HA H 1 4.011 0.005 . 1 . . . . . 246 LEU HA . 50548 2 427 . 2 . 2 41 41 LEU HB2 H 1 1.462 0.016 . 2 . . . . . 246 LEU HB2 . 50548 2 428 . 2 . 2 41 41 LEU HB3 H 1 2.038 0.005 . 2 . . . . . 246 LEU HB3 . 50548 2 429 . 2 . 2 41 41 LEU HG H 1 1.555 0.004 . 1 . . . . . 246 LEU HG . 50548 2 430 . 2 . 2 41 41 LEU HD11 H 1 -0.200 0.004 . 2 . . . . . 246 LEU HD11 . 50548 2 431 . 2 . 2 41 41 LEU HD12 H 1 -0.200 0.004 . 2 . . . . . 246 LEU HD12 . 50548 2 432 . 2 . 2 41 41 LEU HD13 H 1 -0.200 0.004 . 2 . . . . . 246 LEU HD13 . 50548 2 433 . 2 . 2 41 41 LEU HD21 H 1 0.573 0.003 . 2 . . . . . 246 LEU HD21 . 50548 2 434 . 2 . 2 41 41 LEU HD22 H 1 0.573 0.003 . 2 . . . . . 246 LEU HD22 . 50548 2 435 . 2 . 2 41 41 LEU HD23 H 1 0.573 0.003 . 2 . . . . . 246 LEU HD23 . 50548 2 436 . 2 . 2 41 41 LEU C C 13 176.798 0.000 . 1 . . . . . 246 LEU C . 50548 2 437 . 2 . 2 41 41 LEU CA C 13 56.628 0.057 . 1 . . . . . 246 LEU CA . 50548 2 438 . 2 . 2 41 41 LEU CB C 13 42.460 0.088 . 1 . . . . . 246 LEU CB . 50548 2 439 . 2 . 2 41 41 LEU CG C 13 26.243 0.057 . 1 . . . . . 246 LEU CG . 50548 2 440 . 2 . 2 41 41 LEU CD1 C 13 23.191 0.032 . 2 . . . . . 246 LEU CD1 . 50548 2 441 . 2 . 2 41 41 LEU CD2 C 13 25.935 0.054 . 2 . . . . . 246 LEU CD2 . 50548 2 442 . 2 . 2 41 41 LEU N N 15 114.871 0.016 . 1 . . . . . 246 LEU N . 50548 2 443 . 2 . 2 42 42 LYS H H 1 7.578 0.003 . 1 . . . . . 247 LYS H . 50548 2 444 . 2 . 2 42 42 LYS HA H 1 4.639 0.004 . 1 . . . . . 247 LYS HA . 50548 2 445 . 2 . 2 42 42 LYS HB2 H 1 1.747 0.005 . 2 . . . . . 247 LYS HB2 . 50548 2 446 . 2 . 2 42 42 LYS HB3 H 1 2.041 0.007 . 2 . . . . . 247 LYS HB3 . 50548 2 447 . 2 . 2 42 42 LYS HG2 H 1 1.637 0.005 . 2 . . . . . 247 LYS HG2 . 50548 2 448 . 2 . 2 42 42 LYS HG3 H 1 1.731 0.011 . 2 . . . . . 247 LYS HG3 . 50548 2 449 . 2 . 2 42 42 LYS HD2 H 1 1.805 0.003 . 1 . . . . . 247 LYS HD2 . 50548 2 450 . 2 . 2 42 42 LYS HD3 H 1 1.805 0.003 . 1 . . . . . 247 LYS HD3 . 50548 2 451 . 2 . 2 42 42 LYS HE2 H 1 2.998 0.003 . 2 . . . . . 247 LYS HE2 . 50548 2 452 . 2 . 2 42 42 LYS HE3 H 1 3.133 0.004 . 2 . . . . . 247 LYS HE3 . 50548 2 453 . 2 . 2 42 42 LYS CA C 13 55.106 0.053 . 1 . . . . . 247 LYS CA . 50548 2 454 . 2 . 2 42 42 LYS CB C 13 32.120 0.063 . 1 . . . . . 247 LYS CB . 50548 2 455 . 2 . 2 42 42 LYS CG C 13 24.183 0.083 . 1 . . . . . 247 LYS CG . 50548 2 456 . 2 . 2 42 42 LYS CD C 13 27.941 0.061 . 1 . . . . . 247 LYS CD . 50548 2 457 . 2 . 2 42 42 LYS CE C 13 41.842 0.063 . 1 . . . . . 247 LYS CE . 50548 2 458 . 2 . 2 42 42 LYS N N 15 115.389 0.022 . 1 . . . . . 247 LYS N . 50548 2 459 . 2 . 2 43 43 ASP H H 1 7.287 0.001 . 1 . . . . . 248 ASP H . 50548 2 460 . 2 . 2 43 43 ASP HA H 1 4.633 0.005 . 1 . . . . . 248 ASP HA . 50548 2 461 . 2 . 2 43 43 ASP HB2 H 1 2.958 0.006 . 2 . . . . . 248 ASP HB2 . 50548 2 462 . 2 . 2 43 43 ASP HB3 H 1 2.978 0.015 . 2 . . . . . 248 ASP HB3 . 50548 2 463 . 2 . 2 43 43 ASP CA C 13 54.390 0.117 . 1 . . . . . 248 ASP CA . 50548 2 464 . 2 . 2 43 43 ASP CB C 13 43.573 0.030 . 1 . . . . . 248 ASP CB . 50548 2 465 . 2 . 2 43 43 ASP N N 15 121.280 0.018 . 1 . . . . . 248 ASP N . 50548 2 466 . 2 . 2 44 44 ARG H H 1 9.142 0.002 . 1 . . . . . 249 ARG H . 50548 2 467 . 2 . 2 44 44 ARG HA H 1 3.782 0.001 . 1 . . . . . 249 ARG HA . 50548 2 468 . 2 . 2 44 44 ARG HB2 H 1 1.914 0.011 . 2 . . . . . 249 ARG HB2 . 50548 2 469 . 2 . 2 44 44 ARG HB3 H 1 1.959 0.029 . 2 . . . . . 249 ARG HB3 . 50548 2 470 . 2 . 2 44 44 ARG HG2 H 1 1.664 0.004 . 2 . . . . . 249 ARG HG2 . 50548 2 471 . 2 . 2 44 44 ARG HG3 H 1 1.810 0.004 . 2 . . . . . 249 ARG HG3 . 50548 2 472 . 2 . 2 44 44 ARG HD2 H 1 3.314 0.002 . 1 . . . . . 249 ARG HD2 . 50548 2 473 . 2 . 2 44 44 ARG HD3 H 1 3.314 0.002 . 1 . . . . . 249 ARG HD3 . 50548 2 474 . 2 . 2 44 44 ARG HE H 1 7.258 0.000 . 1 . . . . . 249 ARG HE . 50548 2 475 . 2 . 2 44 44 ARG CA C 13 60.905 0.064 . 1 . . . . . 249 ARG CA . 50548 2 476 . 2 . 2 44 44 ARG CB C 13 30.338 0.044 . 1 . . . . . 249 ARG CB . 50548 2 477 . 2 . 2 44 44 ARG CG C 13 27.445 0.067 . 1 . . . . . 249 ARG CG . 50548 2 478 . 2 . 2 44 44 ARG CD C 13 43.648 0.058 . 1 . . . . . 249 ARG CD . 50548 2 479 . 2 . 2 44 44 ARG N N 15 129.921 0.017 . 1 . . . . . 249 ARG N . 50548 2 480 . 2 . 2 44 44 ARG NE N 15 84.639 0.004 . 1 . . . . . 249 ARG NE . 50548 2 481 . 2 . 2 45 45 GLU H H 1 8.430 0.001 . 1 . . . . . 250 GLU H . 50548 2 482 . 2 . 2 45 45 GLU HA H 1 4.265 0.003 . 1 . . . . . 250 GLU HA . 50548 2 483 . 2 . 2 45 45 GLU HB2 H 1 2.223 0.004 . 1 . . . . . 250 GLU HB2 . 50548 2 484 . 2 . 2 45 45 GLU HB3 H 1 2.223 0.004 . 1 . . . . . 250 GLU HB3 . 50548 2 485 . 2 . 2 45 45 GLU HG2 H 1 2.339 0.033 . 2 . . . . . 250 GLU HG2 . 50548 2 486 . 2 . 2 45 45 GLU HG3 H 1 2.416 0.008 . 2 . . . . . 250 GLU HG3 . 50548 2 487 . 2 . 2 45 45 GLU CA C 13 59.423 0.053 . 1 . . . . . 250 GLU CA . 50548 2 488 . 2 . 2 45 45 GLU CB C 13 29.979 0.039 . 1 . . . . . 250 GLU CB . 50548 2 489 . 2 . 2 45 45 GLU CG C 13 36.960 0.090 . 1 . . . . . 250 GLU CG . 50548 2 490 . 2 . 2 45 45 GLU N N 15 117.967 0.015 . 1 . . . . . 250 GLU N . 50548 2 491 . 2 . 2 46 46 THR H H 1 9.072 0.001 . 1 . . . . . 251 THR H . 50548 2 492 . 2 . 2 46 46 THR HA H 1 3.684 0.004 . 1 . . . . . 251 THR HA . 50548 2 493 . 2 . 2 46 46 THR HB H 1 4.541 0.003 . 1 . . . . . 251 THR HB . 50548 2 494 . 2 . 2 46 46 THR HG21 H 1 1.251 0.003 . 1 . . . . . 251 THR HG21 . 50548 2 495 . 2 . 2 46 46 THR HG22 H 1 1.251 0.003 . 1 . . . . . 251 THR HG22 . 50548 2 496 . 2 . 2 46 46 THR HG23 H 1 1.251 0.003 . 1 . . . . . 251 THR HG23 . 50548 2 497 . 2 . 2 46 46 THR CA C 13 67.047 0.069 . 1 . . . . . 251 THR CA . 50548 2 498 . 2 . 2 46 46 THR CB C 13 68.058 0.065 . 1 . . . . . 251 THR CB . 50548 2 499 . 2 . 2 46 46 THR CG2 C 13 22.875 0.058 . 1 . . . . . 251 THR CG2 . 50548 2 500 . 2 . 2 46 46 THR N N 15 117.016 0.028 . 1 . . . . . 251 THR N . 50548 2 501 . 2 . 2 47 47 SER H H 1 8.767 0.002 . 1 . . . . . 252 SER H . 50548 2 502 . 2 . 2 47 47 SER HA H 1 4.104 0.004 . 1 . . . . . 252 SER HA . 50548 2 503 . 2 . 2 47 47 SER HB2 H 1 4.489 0.002 . 1 . . . . . 252 SER HB2 . 50548 2 504 . 2 . 2 47 47 SER HB3 H 1 4.489 0.002 . 1 . . . . . 252 SER HB3 . 50548 2 505 . 2 . 2 47 47 SER CA C 13 63.282 0.116 . 1 . . . . . 252 SER CA . 50548 2 506 . 2 . 2 47 47 SER CB C 13 62.712 0.070 . 1 . . . . . 252 SER CB . 50548 2 507 . 2 . 2 47 47 SER N N 15 116.520 0.024 . 1 . . . . . 252 SER N . 50548 2 508 . 2 . 2 48 48 LYS HA H 1 3.671 0.005 . 1 . . . . . 253 LYS HA . 50548 2 509 . 2 . 2 48 48 LYS HB2 H 1 2.136 0.006 . 2 . . . . . 253 LYS HB2 . 50548 2 510 . 2 . 2 48 48 LYS HB3 H 1 2.140 0.005 . 2 . . . . . 253 LYS HB3 . 50548 2 511 . 2 . 2 48 48 LYS CA C 13 59.131 0.050 . 1 . . . . . 253 LYS CA . 50548 2 512 . 2 . 2 48 48 LYS CB C 13 32.443 0.021 . 1 . . . . . 253 LYS CB . 50548 2 513 . 2 . 2 48 48 LYS CG C 13 25.041 0.000 . 1 . . . . . 253 LYS CG . 50548 2 514 . 2 . 2 49 49 VAL H H 1 7.188 0.002 . 1 . . . . . 254 VAL H . 50548 2 515 . 2 . 2 49 49 VAL HA H 1 3.747 0.003 . 1 . . . . . 254 VAL HA . 50548 2 516 . 2 . 2 49 49 VAL HB H 1 2.058 0.002 . 1 . . . . . 254 VAL HB . 50548 2 517 . 2 . 2 49 49 VAL HG11 H 1 0.380 0.002 . 2 . . . . . 254 VAL HG11 . 50548 2 518 . 2 . 2 49 49 VAL HG12 H 1 0.380 0.002 . 2 . . . . . 254 VAL HG12 . 50548 2 519 . 2 . 2 49 49 VAL HG13 H 1 0.380 0.002 . 2 . . . . . 254 VAL HG13 . 50548 2 520 . 2 . 2 49 49 VAL HG21 H 1 0.647 0.002 . 2 . . . . . 254 VAL HG21 . 50548 2 521 . 2 . 2 49 49 VAL HG22 H 1 0.647 0.002 . 2 . . . . . 254 VAL HG22 . 50548 2 522 . 2 . 2 49 49 VAL HG23 H 1 0.647 0.002 . 2 . . . . . 254 VAL HG23 . 50548 2 523 . 2 . 2 49 49 VAL CA C 13 66.075 0.067 . 1 . . . . . 254 VAL CA . 50548 2 524 . 2 . 2 49 49 VAL CB C 13 31.452 0.052 . 1 . . . . . 254 VAL CB . 50548 2 525 . 2 . 2 49 49 VAL CG1 C 13 21.409 0.055 . 2 . . . . . 254 VAL CG1 . 50548 2 526 . 2 . 2 49 49 VAL CG2 C 13 21.127 0.105 . 2 . . . . . 254 VAL CG2 . 50548 2 527 . 2 . 2 49 49 VAL N N 15 119.409 0.031 . 1 . . . . . 254 VAL N . 50548 2 528 . 2 . 2 50 50 ILE H H 1 7.731 0.002 . 1 . . . . . 255 ILE H . 50548 2 529 . 2 . 2 50 50 ILE HA H 1 3.492 0.003 . 1 . . . . . 255 ILE HA . 50548 2 530 . 2 . 2 50 50 ILE HB H 1 1.997 0.009 . 1 . . . . . 255 ILE HB . 50548 2 531 . 2 . 2 50 50 ILE HG12 H 1 0.729 0.000 . 1 . . . . . 255 ILE HG12 . 50548 2 532 . 2 . 2 50 50 ILE HG13 H 1 0.729 0.000 . 1 . . . . . 255 ILE HG13 . 50548 2 533 . 2 . 2 50 50 ILE HG21 H 1 0.816 0.003 . 1 . . . . . 255 ILE HG21 . 50548 2 534 . 2 . 2 50 50 ILE HG22 H 1 0.816 0.003 . 1 . . . . . 255 ILE HG22 . 50548 2 535 . 2 . 2 50 50 ILE HG23 H 1 0.816 0.003 . 1 . . . . . 255 ILE HG23 . 50548 2 536 . 2 . 2 50 50 ILE HD11 H 1 0.567 0.004 . 1 . . . . . 255 ILE HD11 . 50548 2 537 . 2 . 2 50 50 ILE HD12 H 1 0.567 0.004 . 1 . . . . . 255 ILE HD12 . 50548 2 538 . 2 . 2 50 50 ILE HD13 H 1 0.567 0.004 . 1 . . . . . 255 ILE HD13 . 50548 2 539 . 2 . 2 50 50 ILE CA C 13 66.136 0.054 . 1 . . . . . 255 ILE CA . 50548 2 540 . 2 . 2 50 50 ILE CB C 13 38.719 0.068 . 1 . . . . . 255 ILE CB . 50548 2 541 . 2 . 2 50 50 ILE CG1 C 13 30.180 0.035 . 1 . . . . . 255 ILE CG1 . 50548 2 542 . 2 . 2 50 50 ILE CG2 C 13 18.664 0.077 . 1 . . . . . 255 ILE CG2 . 50548 2 543 . 2 . 2 50 50 ILE CD1 C 13 14.528 0.058 . 1 . . . . . 255 ILE CD1 . 50548 2 544 . 2 . 2 50 50 ILE N N 15 119.989 0.013 . 1 . . . . . 255 ILE N . 50548 2 545 . 2 . 2 51 51 TYR H H 1 8.912 0.001 . 1 . . . . . 256 TYR H . 50548 2 546 . 2 . 2 51 51 TYR HA H 1 3.789 0.004 . 1 . . . . . 256 TYR HA . 50548 2 547 . 2 . 2 51 51 TYR HB2 H 1 1.922 0.006 . 2 . . . . . 256 TYR HB2 . 50548 2 548 . 2 . 2 51 51 TYR HB3 H 1 2.030 0.007 . 2 . . . . . 256 TYR HB3 . 50548 2 549 . 2 . 2 51 51 TYR HD1 H 1 6.374 0.005 . 1 . . . . . 256 TYR HD1 . 50548 2 550 . 2 . 2 51 51 TYR HD2 H 1 6.374 0.005 . 1 . . . . . 256 TYR HD2 . 50548 2 551 . 2 . 2 51 51 TYR HE1 H 1 6.602 0.003 . 1 . . . . . 256 TYR HE1 . 50548 2 552 . 2 . 2 51 51 TYR HE2 H 1 6.602 0.003 . 1 . . . . . 256 TYR HE2 . 50548 2 553 . 2 . 2 51 51 TYR CA C 13 62.731 0.083 . 1 . . . . . 256 TYR CA . 50548 2 554 . 2 . 2 51 51 TYR CB C 13 37.584 0.044 . 1 . . . . . 256 TYR CB . 50548 2 555 . 2 . 2 51 51 TYR CD1 C 13 132.622 0.072 . 1 . . . . . 256 TYR CD1 . 50548 2 556 . 2 . 2 51 51 TYR CD2 C 13 132.622 0.072 . 1 . . . . . 256 TYR CD2 . 50548 2 557 . 2 . 2 51 51 TYR CE1 C 13 117.869 0.110 . 1 . . . . . 256 TYR CE1 . 50548 2 558 . 2 . 2 51 51 TYR CE2 C 13 117.869 0.110 . 1 . . . . . 256 TYR CE2 . 50548 2 559 . 2 . 2 51 51 TYR N N 15 121.291 0.024 . 1 . . . . . 256 TYR N . 50548 2 560 . 2 . 2 52 52 ASP H H 1 8.864 0.002 . 1 . . . . . 257 ASP H . 50548 2 561 . 2 . 2 52 52 ASP HA H 1 4.077 0.007 . 1 . . . . . 257 ASP HA . 50548 2 562 . 2 . 2 52 52 ASP HB2 H 1 2.545 0.004 . 2 . . . . . 257 ASP HB2 . 50548 2 563 . 2 . 2 52 52 ASP HB3 H 1 2.797 0.006 . 2 . . . . . 257 ASP HB3 . 50548 2 564 . 2 . 2 52 52 ASP CA C 13 57.129 0.099 . 1 . . . . . 257 ASP CA . 50548 2 565 . 2 . 2 52 52 ASP CB C 13 40.043 0.038 . 1 . . . . . 257 ASP CB . 50548 2 566 . 2 . 2 52 52 ASP N N 15 118.293 0.023 . 1 . . . . . 257 ASP N . 50548 2 567 . 2 . 2 53 53 PHE H H 1 7.577 0.002 . 1 . . . . . 258 PHE H . 50548 2 568 . 2 . 2 53 53 PHE HA H 1 3.820 0.004 . 1 . . . . . 258 PHE HA . 50548 2 569 . 2 . 2 53 53 PHE HB2 H 1 2.551 0.007 . 2 . . . . . 258 PHE HB2 . 50548 2 570 . 2 . 2 53 53 PHE HB3 H 1 3.222 0.004 . 2 . . . . . 258 PHE HB3 . 50548 2 571 . 2 . 2 53 53 PHE HD1 H 1 6.502 0.003 . 1 . . . . . 258 PHE HD1 . 50548 2 572 . 2 . 2 53 53 PHE HD2 H 1 6.502 0.003 . 1 . . . . . 258 PHE HD2 . 50548 2 573 . 2 . 2 53 53 PHE HE1 H 1 7.023 0.000 . 1 . . . . . 258 PHE HE1 . 50548 2 574 . 2 . 2 53 53 PHE HE2 H 1 7.023 0.000 . 1 . . . . . 258 PHE HE2 . 50548 2 575 . 2 . 2 53 53 PHE CA C 13 61.997 0.059 . 1 . . . . . 258 PHE CA . 50548 2 576 . 2 . 2 53 53 PHE CB C 13 38.961 0.077 . 1 . . . . . 258 PHE CB . 50548 2 577 . 2 . 2 53 53 PHE CD1 C 13 131.511 0.050 . 1 . . . . . 258 PHE CD1 . 50548 2 578 . 2 . 2 53 53 PHE CD2 C 13 131.511 0.050 . 1 . . . . . 258 PHE CD2 . 50548 2 579 . 2 . 2 53 53 PHE CE1 C 13 131.669 0.028 . 1 . . . . . 258 PHE CE1 . 50548 2 580 . 2 . 2 53 53 PHE CE2 C 13 131.669 0.028 . 1 . . . . . 258 PHE CE2 . 50548 2 581 . 2 . 2 53 53 PHE N N 15 119.686 0.018 . 1 . . . . . 258 PHE N . 50548 2 582 . 2 . 2 54 54 ILE H H 1 8.273 0.002 . 1 . . . . . 259 ILE H . 50548 2 583 . 2 . 2 54 54 ILE HA H 1 3.484 0.003 . 1 . . . . . 259 ILE HA . 50548 2 584 . 2 . 2 54 54 ILE HB H 1 2.026 0.005 . 1 . . . . . 259 ILE HB . 50548 2 585 . 2 . 2 54 54 ILE HG12 H 1 1.804 0.004 . 2 . . . . . 259 ILE HG12 . 50548 2 586 . 2 . 2 54 54 ILE HG13 H 1 1.443 0.004 . 2 . . . . . 259 ILE HG13 . 50548 2 587 . 2 . 2 54 54 ILE HG21 H 1 0.815 0.019 . 1 . . . . . 259 ILE HG21 . 50548 2 588 . 2 . 2 54 54 ILE HG22 H 1 0.815 0.019 . 1 . . . . . 259 ILE HG22 . 50548 2 589 . 2 . 2 54 54 ILE HG23 H 1 0.815 0.019 . 1 . . . . . 259 ILE HG23 . 50548 2 590 . 2 . 2 54 54 ILE HD11 H 1 0.947 0.004 . 1 . . . . . 259 ILE HD11 . 50548 2 591 . 2 . 2 54 54 ILE HD12 H 1 0.947 0.004 . 1 . . . . . 259 ILE HD12 . 50548 2 592 . 2 . 2 54 54 ILE HD13 H 1 0.947 0.004 . 1 . . . . . 259 ILE HD13 . 50548 2 593 . 2 . 2 54 54 ILE CA C 13 64.071 0.054 . 1 . . . . . 259 ILE CA . 50548 2 594 . 2 . 2 54 54 ILE CB C 13 37.171 0.066 . 1 . . . . . 259 ILE CB . 50548 2 595 . 2 . 2 54 54 ILE CG1 C 13 27.986 0.151 . 1 . . . . . 259 ILE CG1 . 50548 2 596 . 2 . 2 54 54 ILE CG2 C 13 17.509 0.068 . 1 . . . . . 259 ILE CG2 . 50548 2 597 . 2 . 2 54 54 ILE CD1 C 13 13.177 0.061 . 1 . . . . . 259 ILE CD1 . 50548 2 598 . 2 . 2 54 54 ILE N N 15 120.656 0.031 . 1 . . . . . 259 ILE N . 50548 2 599 . 2 . 2 55 55 GLU H H 1 8.418 0.003 . 1 . . . . . 260 GLU H . 50548 2 600 . 2 . 2 55 55 GLU HA H 1 3.790 0.003 . 1 . . . . . 260 GLU HA . 50548 2 601 . 2 . 2 55 55 GLU HB2 H 1 1.586 0.005 . 2 . . . . . 260 GLU HB2 . 50548 2 602 . 2 . 2 55 55 GLU HB3 H 1 1.812 0.007 . 2 . . . . . 260 GLU HB3 . 50548 2 603 . 2 . 2 55 55 GLU HG2 H 1 1.847 0.016 . 2 . . . . . 260 GLU HG2 . 50548 2 604 . 2 . 2 55 55 GLU HG3 H 1 1.902 0.022 . 2 . . . . . 260 GLU HG3 . 50548 2 605 . 2 . 2 55 55 GLU CA C 13 59.177 0.042 . 1 . . . . . 260 GLU CA . 50548 2 606 . 2 . 2 55 55 GLU CB C 13 29.433 0.134 . 1 . . . . . 260 GLU CB . 50548 2 607 . 2 . 2 55 55 GLU CG C 13 36.208 0.108 . 1 . . . . . 260 GLU CG . 50548 2 608 . 2 . 2 55 55 GLU N N 15 120.775 0.022 . 1 . . . . . 260 GLU N . 50548 2 609 . 2 . 2 56 56 LYS H H 1 7.716 0.003 . 1 . . . . . 261 LYS H . 50548 2 610 . 2 . 2 56 56 LYS HA H 1 4.051 0.004 . 1 . . . . . 261 LYS HA . 50548 2 611 . 2 . 2 56 56 LYS HB2 H 1 1.709 0.016 . 2 . . . . . 261 LYS HB2 . 50548 2 612 . 2 . 2 56 56 LYS HB3 H 1 1.739 0.013 . 2 . . . . . 261 LYS HB3 . 50548 2 613 . 2 . 2 56 56 LYS HG2 H 1 1.348 0.006 . 1 . . . . . 261 LYS HG2 . 50548 2 614 . 2 . 2 56 56 LYS HG3 H 1 1.348 0.006 . 1 . . . . . 261 LYS HG3 . 50548 2 615 . 2 . 2 56 56 LYS HD2 H 1 1.540 0.002 . 1 . . . . . 261 LYS HD2 . 50548 2 616 . 2 . 2 56 56 LYS HD3 H 1 1.540 0.002 . 1 . . . . . 261 LYS HD3 . 50548 2 617 . 2 . 2 56 56 LYS HE2 H 1 2.868 0.003 . 1 . . . . . 261 LYS HE2 . 50548 2 618 . 2 . 2 56 56 LYS HE3 H 1 2.868 0.003 . 1 . . . . . 261 LYS HE3 . 50548 2 619 . 2 . 2 56 56 LYS CA C 13 58.094 0.059 . 1 . . . . . 261 LYS CA . 50548 2 620 . 2 . 2 56 56 LYS CB C 13 32.373 0.033 . 1 . . . . . 261 LYS CB . 50548 2 621 . 2 . 2 56 56 LYS CG C 13 24.913 0.054 . 1 . . . . . 261 LYS CG . 50548 2 622 . 2 . 2 56 56 LYS CD C 13 29.108 0.049 . 1 . . . . . 261 LYS CD . 50548 2 623 . 2 . 2 56 56 LYS CE C 13 42.142 0.048 . 1 . . . . . 261 LYS CE . 50548 2 624 . 2 . 2 56 56 LYS N N 15 118.216 0.025 . 1 . . . . . 261 LYS N . 50548 2 625 . 2 . 2 57 57 THR H H 1 7.539 0.003 . 1 . . . . . 262 THR H . 50548 2 626 . 2 . 2 57 57 THR HA H 1 3.968 0.002 . 1 . . . . . 262 THR HA . 50548 2 627 . 2 . 2 57 57 THR HB H 1 3.864 0.003 . 1 . . . . . 262 THR HB . 50548 2 628 . 2 . 2 57 57 THR HG21 H 1 0.882 0.002 . 1 . . . . . 262 THR HG21 . 50548 2 629 . 2 . 2 57 57 THR HG22 H 1 0.882 0.002 . 1 . . . . . 262 THR HG22 . 50548 2 630 . 2 . 2 57 57 THR HG23 H 1 0.882 0.002 . 1 . . . . . 262 THR HG23 . 50548 2 631 . 2 . 2 57 57 THR CA C 13 63.552 0.052 . 1 . . . . . 262 THR CA . 50548 2 632 . 2 . 2 57 57 THR CB C 13 69.510 0.044 . 1 . . . . . 262 THR CB . 50548 2 633 . 2 . 2 57 57 THR CG2 C 13 21.572 0.085 . 1 . . . . . 262 THR CG2 . 50548 2 634 . 2 . 2 57 57 THR N N 15 112.384 0.022 . 1 . . . . . 262 THR N . 50548 2 635 . 2 . 2 58 58 GLY H H 1 7.812 0.001 . 1 . . . . . 263 GLY H . 50548 2 636 . 2 . 2 58 58 GLY HA2 H 1 3.813 0.007 . 2 . . . . . 263 GLY HA2 . 50548 2 637 . 2 . 2 58 58 GLY HA3 H 1 4.017 0.007 . 2 . . . . . 263 GLY HA3 . 50548 2 638 . 2 . 2 58 58 GLY CA C 13 45.465 0.075 . 1 . . . . . 263 GLY CA . 50548 2 639 . 2 . 2 58 58 GLY N N 15 108.882 0.015 . 1 . . . . . 263 GLY N . 50548 2 640 . 2 . 2 59 59 GLY H H 1 8.072 0.003 . 1 . . . . . 264 GLY H . 50548 2 641 . 2 . 2 59 59 GLY HA2 H 1 3.755 0.010 . 2 . . . . . 264 GLY HA2 . 50548 2 642 . 2 . 2 59 59 GLY HA3 H 1 3.999 0.013 . 2 . . . . . 264 GLY HA3 . 50548 2 643 . 2 . 2 59 59 GLY CA C 13 45.208 0.072 . 1 . . . . . 264 GLY CA . 50548 2 644 . 2 . 2 59 59 GLY N N 15 108.146 0.017 . 1 . . . . . 264 GLY N . 50548 2 645 . 2 . 2 60 60 VAL H H 1 8.029 0.003 . 1 . . . . . 265 VAL H . 50548 2 646 . 2 . 2 60 60 VAL HA H 1 3.959 0.005 . 1 . . . . . 265 VAL HA . 50548 2 647 . 2 . 2 60 60 VAL HB H 1 2.042 0.002 . 1 . . . . . 265 VAL HB . 50548 2 648 . 2 . 2 60 60 VAL HG11 H 1 0.882 0.004 . 1 . . . . . 265 VAL HG11 . 50548 2 649 . 2 . 2 60 60 VAL HG12 H 1 0.882 0.004 . 1 . . . . . 265 VAL HG12 . 50548 2 650 . 2 . 2 60 60 VAL HG13 H 1 0.882 0.004 . 1 . . . . . 265 VAL HG13 . 50548 2 651 . 2 . 2 60 60 VAL HG21 H 1 0.882 0.004 . 1 . . . . . 265 VAL HG21 . 50548 2 652 . 2 . 2 60 60 VAL HG22 H 1 0.882 0.004 . 1 . . . . . 265 VAL HG22 . 50548 2 653 . 2 . 2 60 60 VAL HG23 H 1 0.882 0.004 . 1 . . . . . 265 VAL HG23 . 50548 2 654 . 2 . 2 60 60 VAL C C 13 176.247 0.000 . 1 . . . . . 265 VAL C . 50548 2 655 . 2 . 2 60 60 VAL CA C 13 63.108 0.115 . 1 . . . . . 265 VAL CA . 50548 2 656 . 2 . 2 60 60 VAL CB C 13 32.657 0.055 . 1 . . . . . 265 VAL CB . 50548 2 657 . 2 . 2 60 60 VAL CG1 C 13 21.217 0.145 . 1 . . . . . 265 VAL CG1 . 50548 2 658 . 2 . 2 60 60 VAL CG2 C 13 21.217 0.145 . 1 . . . . . 265 VAL CG2 . 50548 2 659 . 2 . 2 60 60 VAL N N 15 117.953 0.030 . 1 . . . . . 265 VAL N . 50548 2 660 . 2 . 2 61 61 GLU H H 1 8.462 0.001 . 1 . . . . . 266 GLU H . 50548 2 661 . 2 . 2 61 61 GLU HA H 1 4.165 0.003 . 1 . . . . . 266 GLU HA . 50548 2 662 . 2 . 2 61 61 GLU HB2 H 1 1.920 0.005 . 2 . . . . . 266 GLU HB2 . 50548 2 663 . 2 . 2 61 61 GLU HB3 H 1 2.012 0.004 . 2 . . . . . 266 GLU HB3 . 50548 2 664 . 2 . 2 61 61 GLU HG2 H 1 2.263 0.003 . 1 . . . . . 266 GLU HG2 . 50548 2 665 . 2 . 2 61 61 GLU HG3 H 1 2.263 0.003 . 1 . . . . . 266 GLU HG3 . 50548 2 666 . 2 . 2 61 61 GLU C C 13 176.493 0.000 . 1 . . . . . 266 GLU C . 50548 2 667 . 2 . 2 61 61 GLU CA C 13 57.148 0.040 . 1 . . . . . 266 GLU CA . 50548 2 668 . 2 . 2 61 61 GLU CB C 13 30.116 0.131 . 1 . . . . . 266 GLU CB . 50548 2 669 . 2 . 2 61 61 GLU CG C 13 36.403 0.082 . 1 . . . . . 266 GLU CG . 50548 2 670 . 2 . 2 61 61 GLU N N 15 122.519 0.026 . 1 . . . . . 266 GLU N . 50548 2 671 . 2 . 2 62 62 ALA H H 1 8.038 0.001 . 1 . . . . . 267 ALA H . 50548 2 672 . 2 . 2 62 62 ALA HA H 1 4.293 0.003 . 1 . . . . . 267 ALA HA . 50548 2 673 . 2 . 2 62 62 ALA HB1 H 1 1.354 0.002 . 1 . . . . . 267 ALA HB1 . 50548 2 674 . 2 . 2 62 62 ALA HB2 H 1 1.354 0.002 . 1 . . . . . 267 ALA HB2 . 50548 2 675 . 2 . 2 62 62 ALA HB3 H 1 1.354 0.002 . 1 . . . . . 267 ALA HB3 . 50548 2 676 . 2 . 2 62 62 ALA CA C 13 52.725 0.057 . 1 . . . . . 267 ALA CA . 50548 2 677 . 2 . 2 62 62 ALA CB C 13 19.367 0.062 . 1 . . . . . 267 ALA CB . 50548 2 678 . 2 . 2 62 62 ALA N N 15 123.860 0.016 . 1 . . . . . 267 ALA N . 50548 2 679 . 2 . 2 63 63 VAL H H 1 7.897 0.001 . 1 . . . . . 268 VAL H . 50548 2 680 . 2 . 2 63 63 VAL HA H 1 4.054 0.002 . 1 . . . . . 268 VAL HA . 50548 2 681 . 2 . 2 63 63 VAL HB H 1 2.106 0.003 . 1 . . . . . 268 VAL HB . 50548 2 682 . 2 . 2 63 63 VAL HG11 H 1 0.902 0.003 . 2 . . . . . 268 VAL HG11 . 50548 2 683 . 2 . 2 63 63 VAL HG12 H 1 0.902 0.003 . 2 . . . . . 268 VAL HG12 . 50548 2 684 . 2 . 2 63 63 VAL HG13 H 1 0.902 0.003 . 2 . . . . . 268 VAL HG13 . 50548 2 685 . 2 . 2 63 63 VAL HG21 H 1 0.923 0.003 . 2 . . . . . 268 VAL HG21 . 50548 2 686 . 2 . 2 63 63 VAL HG22 H 1 0.923 0.003 . 2 . . . . . 268 VAL HG22 . 50548 2 687 . 2 . 2 63 63 VAL HG23 H 1 0.923 0.003 . 2 . . . . . 268 VAL HG23 . 50548 2 688 . 2 . 2 63 63 VAL C C 13 175.791 0.000 . 1 . . . . . 268 VAL C . 50548 2 689 . 2 . 2 63 63 VAL CA C 13 62.525 0.061 . 1 . . . . . 268 VAL CA . 50548 2 690 . 2 . 2 63 63 VAL CB C 13 32.470 0.063 . 1 . . . . . 268 VAL CB . 50548 2 691 . 2 . 2 63 63 VAL CG1 C 13 21.366 0.014 . 2 . . . . . 268 VAL CG1 . 50548 2 692 . 2 . 2 63 63 VAL CG2 C 13 20.937 0.083 . 2 . . . . . 268 VAL CG2 . 50548 2 693 . 2 . 2 63 63 VAL N N 15 118.041 0.019 . 1 . . . . . 268 VAL N . 50548 2 694 . 2 . 2 64 64 LYS H H 1 8.081 0.003 . 1 . . . . . 269 LYS H . 50548 2 695 . 2 . 2 64 64 LYS HA H 1 4.336 0.003 . 1 . . . . . 269 LYS HA . 50548 2 696 . 2 . 2 64 64 LYS HB2 H 1 1.731 0.003 . 2 . . . . . 269 LYS HB2 . 50548 2 697 . 2 . 2 64 64 LYS HB3 H 1 1.853 0.003 . 2 . . . . . 269 LYS HB3 . 50548 2 698 . 2 . 2 64 64 LYS HG2 H 1 1.391 0.002 . 2 . . . . . 269 LYS HG2 . 50548 2 699 . 2 . 2 64 64 LYS HG3 H 1 1.456 0.006 . 2 . . . . . 269 LYS HG3 . 50548 2 700 . 2 . 2 64 64 LYS HD2 H 1 1.663 0.003 . 1 . . . . . 269 LYS HD2 . 50548 2 701 . 2 . 2 64 64 LYS HD3 H 1 1.663 0.003 . 1 . . . . . 269 LYS HD3 . 50548 2 702 . 2 . 2 64 64 LYS HE2 H 1 2.969 0.003 . 1 . . . . . 269 LYS HE2 . 50548 2 703 . 2 . 2 64 64 LYS HE3 H 1 2.969 0.003 . 1 . . . . . 269 LYS HE3 . 50548 2 704 . 2 . 2 64 64 LYS C C 13 175.339 0.000 . 1 . . . . . 269 LYS C . 50548 2 705 . 2 . 2 64 64 LYS CA C 13 56.243 0.024 . 1 . . . . . 269 LYS CA . 50548 2 706 . 2 . 2 64 64 LYS CB C 13 33.254 0.060 . 1 . . . . . 269 LYS CB . 50548 2 707 . 2 . 2 64 64 LYS CG C 13 24.718 0.088 . 1 . . . . . 269 LYS CG . 50548 2 708 . 2 . 2 64 64 LYS CD C 13 29.162 0.033 . 1 . . . . . 269 LYS CD . 50548 2 709 . 2 . 2 64 64 LYS CE C 13 42.168 0.041 . 1 . . . . . 269 LYS CE . 50548 2 710 . 2 . 2 64 64 LYS N N 15 124.371 0.028 . 1 . . . . . 269 LYS N . 50548 2 711 . 2 . 2 65 65 ASN H H 1 7.987 0.001 . 1 . . . . . 270 ASN H . 50548 2 712 . 2 . 2 65 65 ASN HA H 1 4.481 0.002 . 1 . . . . . 270 ASN HA . 50548 2 713 . 2 . 2 65 65 ASN HB2 H 1 2.656 0.005 . 2 . . . . . 270 ASN HB2 . 50548 2 714 . 2 . 2 65 65 ASN HB3 H 1 2.756 0.003 . 2 . . . . . 270 ASN HB3 . 50548 2 715 . 2 . 2 65 65 ASN HD21 H 1 7.504 0.000 . 1 . . . . . 270 ASN HD21 . 50548 2 716 . 2 . 2 65 65 ASN HD22 H 1 6.775 0.000 . 1 . . . . . 270 ASN HD22 . 50548 2 717 . 2 . 2 65 65 ASN CA C 13 54.856 0.026 . 1 . . . . . 270 ASN CA . 50548 2 718 . 2 . 2 65 65 ASN CB C 13 40.609 0.087 . 1 . . . . . 270 ASN CB . 50548 2 719 . 2 . 2 65 65 ASN N N 15 125.819 0.027 . 1 . . . . . 270 ASN N . 50548 2 720 . 2 . 2 65 65 ASN ND2 N 15 112.586 0.006 . 1 . . . . . 270 ASN ND2 . 50548 2 stop_ save_