data_34004 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 34004 _Entry.Title ; Solution structure of the human SNF5/INI1 domain ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2016-06-02 _Entry.Accession_date 2016-06-02 _Entry.Last_release_date 2016-06-16 _Entry.Original_release_date 2016-06-16 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.1.32 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1.2.6 _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 M. Allen M. D. . . 34004 2 G. Zinzalla G. . . . 34004 3 Mark Bycroft M. . . . 34004 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'DNA BINDING PROTEIN' . 34004 'SNF5/INI1 NMR structure' . 34004 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 34004 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 273 34004 '15N chemical shifts' 77 34004 '1H chemical shifts' 568 34004 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 . . 2019-08-27 2016-06-02 update BMRB 'update entry citation' 34004 1 . . 2017-05-04 2016-06-02 original author 'original release' 34004 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 5L7B 'BMRB Entry Tracking System' 34004 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 34004 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 30222246 _Citation.Full_citation . _Citation.Title ; The structure of INI1/hSNF5 RPT1 and its interactions with the c-MYC:MAX heterodimer provide insights into the interplay between MYC and the SWI/SNF chromatin remodeling complex ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'FEBS J.' _Citation.Journal_name_full 'The FEBS journal' _Citation.Journal_volume 285 _Citation.Journal_issue 22 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1742-4658 _Citation.Journal_CSD 0353 _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 4165 _Citation.Page_last 4180 _Citation.Year 2018 _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 Susan Sammak S. . . . 34004 1 2 Mark Allen M. D. . . 34004 1 3 Najoua Hamdani N. . . . 34004 1 4 Mark Bycroft M. . . . 34004 1 5 Giovanna Zinzalla G. . . . 34004 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 34004 _Assembly.ID 1 _Assembly.Name 'SWI/SNF-related matrix-associated actin-dependent regulator of chromatin subfamily B member 1' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 entity_1 1 $entity_1 A A yes . . . . . . 34004 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 34004 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'SWI/SNF-related matrix-associated actin-dependent regulator of chromatin subfamily B member 1' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GGSEVLVPIRLDMEIDGQKL RDAFTWNMNEKLMTPEMFSE ILCDDLDLNPLTFVPAIASA IRQQIESYPTDSILEDQS ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 78 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 8821.944 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID BAF47 na 34004 1 'BRG1-associated factor 47' na 34004 1 'Integrase interactor 1 protein' na 34004 1 'SNF5 homolog' na 34004 1 hSNF5 na 34004 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 181 GLY . 34004 1 2 182 GLY . 34004 1 3 183 SER . 34004 1 4 184 GLU . 34004 1 5 185 VAL . 34004 1 6 186 LEU . 34004 1 7 187 VAL . 34004 1 8 188 PRO . 34004 1 9 189 ILE . 34004 1 10 190 ARG . 34004 1 11 191 LEU . 34004 1 12 192 ASP . 34004 1 13 193 MET . 34004 1 14 194 GLU . 34004 1 15 195 ILE . 34004 1 16 196 ASP . 34004 1 17 197 GLY . 34004 1 18 198 GLN . 34004 1 19 199 LYS . 34004 1 20 200 LEU . 34004 1 21 201 ARG . 34004 1 22 202 ASP . 34004 1 23 203 ALA . 34004 1 24 204 PHE . 34004 1 25 205 THR . 34004 1 26 206 TRP . 34004 1 27 207 ASN . 34004 1 28 208 MET . 34004 1 29 209 ASN . 34004 1 30 210 GLU . 34004 1 31 211 LYS . 34004 1 32 212 LEU . 34004 1 33 213 MET . 34004 1 34 214 THR . 34004 1 35 215 PRO . 34004 1 36 216 GLU . 34004 1 37 217 MET . 34004 1 38 218 PHE . 34004 1 39 219 SER . 34004 1 40 220 GLU . 34004 1 41 221 ILE . 34004 1 42 222 LEU . 34004 1 43 223 CYS . 34004 1 44 224 ASP . 34004 1 45 225 ASP . 34004 1 46 226 LEU . 34004 1 47 227 ASP . 34004 1 48 228 LEU . 34004 1 49 229 ASN . 34004 1 50 230 PRO . 34004 1 51 231 LEU . 34004 1 52 232 THR . 34004 1 53 233 PHE . 34004 1 54 234 VAL . 34004 1 55 235 PRO . 34004 1 56 236 ALA . 34004 1 57 237 ILE . 34004 1 58 238 ALA . 34004 1 59 239 SER . 34004 1 60 240 ALA . 34004 1 61 241 ILE . 34004 1 62 242 ARG . 34004 1 63 243 GLN . 34004 1 64 244 GLN . 34004 1 65 245 ILE . 34004 1 66 246 GLU . 34004 1 67 247 SER . 34004 1 68 248 TYR . 34004 1 69 249 PRO . 34004 1 70 250 THR . 34004 1 71 251 ASP . 34004 1 72 252 SER . 34004 1 73 253 ILE . 34004 1 74 254 LEU . 34004 1 75 255 GLU . 34004 1 76 256 ASP . 34004 1 77 257 GLN . 34004 1 78 258 SER . 34004 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 34004 1 . GLY 2 2 34004 1 . SER 3 3 34004 1 . GLU 4 4 34004 1 . VAL 5 5 34004 1 . LEU 6 6 34004 1 . VAL 7 7 34004 1 . PRO 8 8 34004 1 . ILE 9 9 34004 1 . ARG 10 10 34004 1 . LEU 11 11 34004 1 . ASP 12 12 34004 1 . MET 13 13 34004 1 . GLU 14 14 34004 1 . ILE 15 15 34004 1 . ASP 16 16 34004 1 . GLY 17 17 34004 1 . GLN 18 18 34004 1 . LYS 19 19 34004 1 . LEU 20 20 34004 1 . ARG 21 21 34004 1 . ASP 22 22 34004 1 . ALA 23 23 34004 1 . PHE 24 24 34004 1 . THR 25 25 34004 1 . TRP 26 26 34004 1 . ASN 27 27 34004 1 . MET 28 28 34004 1 . ASN 29 29 34004 1 . GLU 30 30 34004 1 . LYS 31 31 34004 1 . LEU 32 32 34004 1 . MET 33 33 34004 1 . THR 34 34 34004 1 . PRO 35 35 34004 1 . GLU 36 36 34004 1 . MET 37 37 34004 1 . PHE 38 38 34004 1 . SER 39 39 34004 1 . GLU 40 40 34004 1 . ILE 41 41 34004 1 . LEU 42 42 34004 1 . CYS 43 43 34004 1 . ASP 44 44 34004 1 . ASP 45 45 34004 1 . LEU 46 46 34004 1 . ASP 47 47 34004 1 . LEU 48 48 34004 1 . ASN 49 49 34004 1 . PRO 50 50 34004 1 . LEU 51 51 34004 1 . THR 52 52 34004 1 . PHE 53 53 34004 1 . VAL 54 54 34004 1 . PRO 55 55 34004 1 . ALA 56 56 34004 1 . ILE 57 57 34004 1 . ALA 58 58 34004 1 . SER 59 59 34004 1 . ALA 60 60 34004 1 . ILE 61 61 34004 1 . ARG 62 62 34004 1 . GLN 63 63 34004 1 . GLN 64 64 34004 1 . ILE 65 65 34004 1 . GLU 66 66 34004 1 . SER 67 67 34004 1 . TYR 68 68 34004 1 . PRO 69 69 34004 1 . THR 70 70 34004 1 . ASP 71 71 34004 1 . SER 72 72 34004 1 . ILE 73 73 34004 1 . LEU 74 74 34004 1 . GLU 75 75 34004 1 . ASP 76 76 34004 1 . GLN 77 77 34004 1 . SER 78 78 34004 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 34004 _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 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . 'SMARCB1, BAF47, INI1, SNF5L1' . 34004 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 34004 _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' . . 469008 Escherichia coli BL21(DE3) . . . . . . . . . 34004 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 34004 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '20 mM potassium phosphate, 100 mM sodium chloride, 5 mM [U-100% 2H] beta-mercaptoethanol, 90% H2O/10% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 beta-mercaptoethanol '[U-100% 2H]' . . 1 $entity_1 . . 5 . . mM . . . . 34004 1 2 'potassium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 34004 1 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 34004 1 4 H2O 'natural abundance' . . . . . . 90 . . % . . . . 34004 1 5 D2O 'natural abundance' . . . . . . 10 . . % . . . . 34004 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 34004 _Sample.ID 2 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '20 mM potassium phosphate, 100 mM sodium chloride, 5 mM [U-100% 2H] beta-mercaptoethanol, 90% H2O/10% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 beta-mercaptoethanol '[U-100% 2H]' . . 1 $entity_1 . . 5 . . mM . . . . 34004 2 2 'potassium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 34004 2 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 34004 2 4 H2O 'natural abundance' . . . . . . 90 . . % . . . . 34004 2 5 D2O 'natural abundance' . . . . . . 10 . . % . . . . 34004 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 34004 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 120 . mM 34004 1 pH 6.5 . pH 34004 1 pressure 1 . atm 34004 1 temperature 293 . K 34004 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 34004 _Software.ID 1 _Software.Type . _Software.Name ANSIG _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Kraulis . . 34004 1 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'chemical shift assignment' 34004 1 . 'peak picking' 34004 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 34004 _Software.ID 2 _Software.Type . _Software.Name CNS _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 34004 2 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . refinement 34004 2 . 'structure calculation' 34004 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 34004 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 34004 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 34004 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Bruker Avance . 800 . . . 34004 1 2 NMR_spectrometer_2 Bruker DRX . 600 . . . 34004 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 34004 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34004 1 2 '2D 1H-1H TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34004 1 3 '2D DQF-COSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34004 1 4 '3D HNCACB' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 34004 1 5 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 34004 1 6 '3D HBHA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 34004 1 7 '3D HNHB' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 34004 1 8 '3D HNCACO' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 34004 1 9 '3D HNCO' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 34004 1 10 '3D CBCA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 34004 1 11 '2D 1H-13C HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 34004 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 34004 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl carbons' . . . . ppm 0 internal direct 1.0 . . . . . 34004 1 H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1.0 . . . . . 34004 1 N 15 'liquid anhydrous ammonia' nitrogen . . . . ppm 0 internal indirect 1.0 . . . . . 34004 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 34004 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $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 5 '2D 1H-15N HSQC' . . . 34004 1 11 '2D 1H-13C HSQC' . . . 34004 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 . . 34004 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 3 3 SER H H 1 8.361 0.01 . 1 . . . . . 183 SER H . 34004 1 2 . 1 1 3 3 SER HA H 1 4.383 0.01 . 1 . . . . . 183 SER HA . 34004 1 3 . 1 1 3 3 SER HB2 H 1 3.770 0.01 . 2 . . . . . 183 SER HB2 . 34004 1 4 . 1 1 3 3 SER HB3 H 1 3.770 0.01 . 2 . . . . . 183 SER HB3 . 34004 1 5 . 1 1 3 3 SER C C 13 173.490 0.10 . 1 . . . . . 183 SER C . 34004 1 6 . 1 1 3 3 SER CA C 13 58.240 0.10 . 1 . . . . . 183 SER CA . 34004 1 7 . 1 1 3 3 SER CB C 13 63.620 0.10 . 1 . . . . . 183 SER CB . 34004 1 8 . 1 1 3 3 SER N N 15 115.880 0.10 . 1 . . . . . 183 SER N . 34004 1 9 . 1 1 4 4 GLU H H 1 8.433 0.01 . 1 . . . . . 184 GLU H . 34004 1 10 . 1 1 4 4 GLU HA H 1 4.214 0.01 . 1 . . . . . 184 GLU HA . 34004 1 11 . 1 1 4 4 GLU HB2 H 1 1.783 0.01 . 2 . . . . . 184 GLU HB2 . 34004 1 12 . 1 1 4 4 GLU HB3 H 1 1.836 0.01 . 2 . . . . . 184 GLU HB3 . 34004 1 13 . 1 1 4 4 GLU HG2 H 1 2.064 0.01 . 2 . . . . . 184 GLU HG2 . 34004 1 14 . 1 1 4 4 GLU HG3 H 1 2.135 0.01 . 2 . . . . . 184 GLU HG3 . 34004 1 15 . 1 1 4 4 GLU C C 13 175.020 0.10 . 1 . . . . . 184 GLU C . 34004 1 16 . 1 1 4 4 GLU CA C 13 56.370 0.10 . 1 . . . . . 184 GLU CA . 34004 1 17 . 1 1 4 4 GLU CB C 13 30.080 0.10 . 1 . . . . . 184 GLU CB . 34004 1 18 . 1 1 4 4 GLU N N 15 122.450 0.10 . 1 . . . . . 184 GLU N . 34004 1 19 . 1 1 5 5 VAL H H 1 8.021 0.01 . 1 . . . . . 185 VAL H . 34004 1 20 . 1 1 5 5 VAL HA H 1 3.992 0.01 . 1 . . . . . 185 VAL HA . 34004 1 21 . 1 1 5 5 VAL HB H 1 1.841 0.01 . 1 . . . . . 185 VAL HB . 34004 1 22 . 1 1 5 5 VAL HG11 H 1 0.801 0.01 . 2 . . . . . 185 VAL HG11 . 34004 1 23 . 1 1 5 5 VAL HG12 H 1 0.801 0.01 . 2 . . . . . 185 VAL HG12 . 34004 1 24 . 1 1 5 5 VAL HG13 H 1 0.801 0.01 . 2 . . . . . 185 VAL HG13 . 34004 1 25 . 1 1 5 5 VAL HG21 H 1 0.839 0.01 . 2 . . . . . 185 VAL HG21 . 34004 1 26 . 1 1 5 5 VAL HG22 H 1 0.839 0.01 . 2 . . . . . 185 VAL HG22 . 34004 1 27 . 1 1 5 5 VAL HG23 H 1 0.839 0.01 . 2 . . . . . 185 VAL HG23 . 34004 1 28 . 1 1 5 5 VAL C C 13 173.010 0.10 . 1 . . . . . 185 VAL C . 34004 1 29 . 1 1 5 5 VAL CA C 13 62.440 0.10 . 1 . . . . . 185 VAL CA . 34004 1 30 . 1 1 5 5 VAL CB C 13 32.910 0.10 . 1 . . . . . 185 VAL CB . 34004 1 31 . 1 1 5 5 VAL CG1 C 13 21.270 0.10 . 1 . . . . . 185 VAL CG1 . 34004 1 32 . 1 1 5 5 VAL CG2 C 13 20.490 0.10 . 1 . . . . . 185 VAL CG2 . 34004 1 33 . 1 1 5 5 VAL N N 15 123.980 0.10 . 1 . . . . . 185 VAL N . 34004 1 34 . 1 1 6 6 LEU H H 1 8.153 0.01 . 1 . . . . . 186 LEU H . 34004 1 35 . 1 1 6 6 LEU HA H 1 4.849 0.01 . 1 . . . . . 186 LEU HA . 34004 1 36 . 1 1 6 6 LEU HB2 H 1 0.937 0.01 . 1 . . . . . 186 LEU HB2 . 34004 1 37 . 1 1 6 6 LEU HB3 H 1 1.672 0.01 . 1 . . . . . 186 LEU HB3 . 34004 1 38 . 1 1 6 6 LEU HG H 1 1.426 0.01 . 1 . . . . . 186 LEU HG . 34004 1 39 . 1 1 6 6 LEU HD11 H 1 0.748 0.01 . 2 . . . . . 186 LEU HD11 . 34004 1 40 . 1 1 6 6 LEU HD12 H 1 0.748 0.01 . 2 . . . . . 186 LEU HD12 . 34004 1 41 . 1 1 6 6 LEU HD13 H 1 0.748 0.01 . 2 . . . . . 186 LEU HD13 . 34004 1 42 . 1 1 6 6 LEU HD21 H 1 0.582 0.01 . 2 . . . . . 186 LEU HD21 . 34004 1 43 . 1 1 6 6 LEU HD22 H 1 0.582 0.01 . 2 . . . . . 186 LEU HD22 . 34004 1 44 . 1 1 6 6 LEU HD23 H 1 0.582 0.01 . 2 . . . . . 186 LEU HD23 . 34004 1 45 . 1 1 6 6 LEU C C 13 175.770 0.10 . 1 . . . . . 186 LEU C . 34004 1 46 . 1 1 6 6 LEU CA C 13 53.080 0.10 . 1 . . . . . 186 LEU CA . 34004 1 47 . 1 1 6 6 LEU CB C 13 42.040 0.10 . 1 . . . . . 186 LEU CB . 34004 1 48 . 1 1 6 6 LEU CD1 C 13 24.920 0.10 . 1 . . . . . 186 LEU CD1 . 34004 1 49 . 1 1 6 6 LEU CD2 C 13 22.550 0.10 . 1 . . . . . 186 LEU CD2 . 34004 1 50 . 1 1 6 6 LEU N N 15 125.730 0.10 . 1 . . . . . 186 LEU N . 34004 1 51 . 1 1 7 7 VAL H H 1 9.086 0.01 . 1 . . . . . 187 VAL H . 34004 1 52 . 1 1 7 7 VAL HA H 1 4.106 0.01 . 1 . . . . . 187 VAL HA . 34004 1 53 . 1 1 7 7 VAL HB H 1 1.879 0.01 . 1 . . . . . 187 VAL HB . 34004 1 54 . 1 1 7 7 VAL HG11 H 1 0.528 0.01 . 2 . . . . . 187 VAL HG11 . 34004 1 55 . 1 1 7 7 VAL HG12 H 1 0.528 0.01 . 2 . . . . . 187 VAL HG12 . 34004 1 56 . 1 1 7 7 VAL HG13 H 1 0.528 0.01 . 2 . . . . . 187 VAL HG13 . 34004 1 57 . 1 1 7 7 VAL HG21 H 1 0.654 0.01 . 2 . . . . . 187 VAL HG21 . 34004 1 58 . 1 1 7 7 VAL HG22 H 1 0.654 0.01 . 2 . . . . . 187 VAL HG22 . 34004 1 59 . 1 1 7 7 VAL HG23 H 1 0.654 0.01 . 2 . . . . . 187 VAL HG23 . 34004 1 60 . 1 1 7 7 VAL C C 13 173.030 0.10 . 1 . . . . . 187 VAL C . 34004 1 61 . 1 1 7 7 VAL CA C 13 58.760 0.10 . 1 . . . . . 187 VAL CA . 34004 1 62 . 1 1 7 7 VAL CB C 13 34.380 0.10 . 1 . . . . . 187 VAL CB . 34004 1 63 . 1 1 7 7 VAL CG2 C 13 20.460 0.10 . 1 . . . . . 187 VAL CG2 . 34004 1 64 . 1 1 7 7 VAL N N 15 123.990 0.10 . 1 . . . . . 187 VAL N . 34004 1 65 . 1 1 8 8 PRO HA H 1 4.396 0.01 . 1 . . . . . 188 PRO HA . 34004 1 66 . 1 1 8 8 PRO HB2 H 1 2.068 0.01 . 2 . . . . . 188 PRO HB2 . 34004 1 67 . 1 1 8 8 PRO HB3 H 1 1.750 0.01 . 2 . . . . . 188 PRO HB3 . 34004 1 68 . 1 1 8 8 PRO HG2 H 1 2.106 0.01 . 2 . . . . . 188 PRO HG2 . 34004 1 69 . 1 1 8 8 PRO HG3 H 1 1.877 0.01 . 2 . . . . . 188 PRO HG3 . 34004 1 70 . 1 1 8 8 PRO HD2 H 1 3.717 0.01 . 2 . . . . . 188 PRO HD2 . 34004 1 71 . 1 1 8 8 PRO HD3 H 1 3.427 0.01 . 2 . . . . . 188 PRO HD3 . 34004 1 72 . 1 1 8 8 PRO C C 13 174.410 0.10 . 1 . . . . . 188 PRO C . 34004 1 73 . 1 1 8 8 PRO CA C 13 62.810 0.10 . 1 . . . . . 188 PRO CA . 34004 1 74 . 1 1 8 8 PRO CB C 13 31.640 0.10 . 1 . . . . . 188 PRO CB . 34004 1 75 . 1 1 8 8 PRO CD C 13 50.740 0.10 . 1 . . . . . 188 PRO CD . 34004 1 76 . 1 1 9 9 ILE H H 1 8.639 0.01 . 1 . . . . . 189 ILE H . 34004 1 77 . 1 1 9 9 ILE HA H 1 4.206 0.01 . 1 . . . . . 189 ILE HA . 34004 1 78 . 1 1 9 9 ILE HB H 1 0.879 0.01 . 1 . . . . . 189 ILE HB . 34004 1 79 . 1 1 9 9 ILE HG12 H 1 1.430 0.01 . 2 . . . . . 189 ILE HG12 . 34004 1 80 . 1 1 9 9 ILE HG13 H 1 0.877 0.01 . 2 . . . . . 189 ILE HG13 . 34004 1 81 . 1 1 9 9 ILE HG21 H 1 0.278 0.01 . 1 . . . . . 189 ILE HG21 . 34004 1 82 . 1 1 9 9 ILE HG22 H 1 0.278 0.01 . 1 . . . . . 189 ILE HG22 . 34004 1 83 . 1 1 9 9 ILE HG23 H 1 0.278 0.01 . 1 . . . . . 189 ILE HG23 . 34004 1 84 . 1 1 9 9 ILE HD11 H 1 0.423 0.01 . 1 . . . . . 189 ILE HD11 . 34004 1 85 . 1 1 9 9 ILE HD12 H 1 0.423 0.01 . 1 . . . . . 189 ILE HD12 . 34004 1 86 . 1 1 9 9 ILE HD13 H 1 0.423 0.01 . 1 . . . . . 189 ILE HD13 . 34004 1 87 . 1 1 9 9 ILE C C 13 174.880 0.10 . 1 . . . . . 189 ILE C . 34004 1 88 . 1 1 9 9 ILE CA C 13 57.430 0.10 . 1 . . . . . 189 ILE CA . 34004 1 89 . 1 1 9 9 ILE CB C 13 36.830 0.10 . 1 . . . . . 189 ILE CB . 34004 1 90 . 1 1 9 9 ILE CG2 C 13 17.690 0.10 . 1 . . . . . 189 ILE CG2 . 34004 1 91 . 1 1 9 9 ILE CD1 C 13 10.390 0.10 . 1 . . . . . 189 ILE CD1 . 34004 1 92 . 1 1 9 9 ILE N N 15 123.950 0.10 . 1 . . . . . 189 ILE N . 34004 1 93 . 1 1 10 10 ARG H H 1 8.963 0.01 . 1 . . . . . 190 ARG H . 34004 1 94 . 1 1 10 10 ARG HA H 1 4.690 0.01 . 1 . . . . . 190 ARG HA . 34004 1 95 . 1 1 10 10 ARG HB2 H 1 1.672 0.01 . 2 . . . . . 190 ARG HB2 . 34004 1 96 . 1 1 10 10 ARG HB3 H 1 1.576 0.01 . 2 . . . . . 190 ARG HB3 . 34004 1 97 . 1 1 10 10 ARG HG2 H 1 1.468 0.01 . 2 . . . . . 190 ARG HG2 . 34004 1 98 . 1 1 10 10 ARG HG3 H 1 1.385 0.01 . 2 . . . . . 190 ARG HG3 . 34004 1 99 . 1 1 10 10 ARG HD2 H 1 3.084 0.01 . 2 . . . . . 190 ARG HD2 . 34004 1 100 . 1 1 10 10 ARG HD3 H 1 3.084 0.01 . 2 . . . . . 190 ARG HD3 . 34004 1 101 . 1 1 10 10 ARG HE H 1 7.235 0.01 . 1 . . . . . 190 ARG HE . 34004 1 102 . 1 1 10 10 ARG C C 13 174.830 0.10 . 1 . . . . . 190 ARG C . 34004 1 103 . 1 1 10 10 ARG CA C 13 54.820 0.10 . 1 . . . . . 190 ARG CA . 34004 1 104 . 1 1 10 10 ARG CB C 13 32.100 0.10 . 1 . . . . . 190 ARG CB . 34004 1 105 . 1 1 10 10 ARG CD C 13 43.090 0.10 . 1 . . . . . 190 ARG CD . 34004 1 106 . 1 1 10 10 ARG N N 15 126.150 0.10 . 1 . . . . . 190 ARG N . 34004 1 107 . 1 1 11 11 LEU H H 1 8.833 0.01 . 1 . . . . . 191 LEU H . 34004 1 108 . 1 1 11 11 LEU HA H 1 4.707 0.01 . 1 . . . . . 191 LEU HA . 34004 1 109 . 1 1 11 11 LEU HB2 H 1 1.159 0.01 . 1 . . . . . 191 LEU HB2 . 34004 1 110 . 1 1 11 11 LEU HB3 H 1 1.676 0.01 . 1 . . . . . 191 LEU HB3 . 34004 1 111 . 1 1 11 11 LEU HG H 1 1.479 0.01 . 1 . . . . . 191 LEU HG . 34004 1 112 . 1 1 11 11 LEU HD11 H 1 0.958 0.01 . 2 . . . . . 191 LEU HD11 . 34004 1 113 . 1 1 11 11 LEU HD12 H 1 0.958 0.01 . 2 . . . . . 191 LEU HD12 . 34004 1 114 . 1 1 11 11 LEU HD13 H 1 0.958 0.01 . 2 . . . . . 191 LEU HD13 . 34004 1 115 . 1 1 11 11 LEU HD21 H 1 0.736 0.01 . 2 . . . . . 191 LEU HD21 . 34004 1 116 . 1 1 11 11 LEU HD22 H 1 0.736 0.01 . 2 . . . . . 191 LEU HD22 . 34004 1 117 . 1 1 11 11 LEU HD23 H 1 0.736 0.01 . 2 . . . . . 191 LEU HD23 . 34004 1 118 . 1 1 11 11 LEU C C 13 175.110 0.10 . 1 . . . . . 191 LEU C . 34004 1 119 . 1 1 11 11 LEU CA C 13 52.860 0.10 . 1 . . . . . 191 LEU CA . 34004 1 120 . 1 1 11 11 LEU CB C 13 43.940 0.10 . 1 . . . . . 191 LEU CB . 34004 1 121 . 1 1 11 11 LEU N N 15 124.310 0.10 . 1 . . . . . 191 LEU N . 34004 1 122 . 1 1 12 12 ASP H H 1 8.805 0.01 . 1 . . . . . 192 ASP H . 34004 1 123 . 1 1 12 12 ASP HA H 1 5.110 0.01 . 1 . . . . . 192 ASP HA . 34004 1 124 . 1 1 12 12 ASP HB2 H 1 2.657 0.01 . 1 . . . . . 192 ASP HB2 . 34004 1 125 . 1 1 12 12 ASP HB3 H 1 2.468 0.01 . 1 . . . . . 192 ASP HB3 . 34004 1 126 . 1 1 12 12 ASP C C 13 173.590 0.10 . 1 . . . . . 192 ASP C . 34004 1 127 . 1 1 12 12 ASP CA C 13 54.050 0.10 . 1 . . . . . 192 ASP CA . 34004 1 128 . 1 1 12 12 ASP CB C 13 40.660 0.10 . 1 . . . . . 192 ASP CB . 34004 1 129 . 1 1 12 12 ASP N N 15 123.710 0.10 . 1 . . . . . 192 ASP N . 34004 1 130 . 1 1 13 13 MET H H 1 8.960 0.01 . 1 . . . . . 193 MET H . 34004 1 131 . 1 1 13 13 MET HA H 1 4.273 0.01 . 1 . . . . . 193 MET HA . 34004 1 132 . 1 1 13 13 MET HB2 H 1 1.893 0.01 . 2 . . . . . 193 MET HB2 . 34004 1 133 . 1 1 13 13 MET HB3 H 1 2.154 0.01 . 2 . . . . . 193 MET HB3 . 34004 1 134 . 1 1 13 13 MET HG2 H 1 2.357 0.01 . 2 . . . . . 193 MET HG2 . 34004 1 135 . 1 1 13 13 MET HG3 H 1 2.490 0.01 . 2 . . . . . 193 MET HG3 . 34004 1 136 . 1 1 13 13 MET HE1 H 1 1.897 0.01 . 1 . . . . . 193 MET HE1 . 34004 1 137 . 1 1 13 13 MET HE2 H 1 1.897 0.01 . 1 . . . . . 193 MET HE2 . 34004 1 138 . 1 1 13 13 MET HE3 H 1 1.897 0.01 . 1 . . . . . 193 MET HE3 . 34004 1 139 . 1 1 13 13 MET C C 13 173.510 0.10 . 1 . . . . . 193 MET C . 34004 1 140 . 1 1 13 13 MET CA C 13 54.680 0.10 . 1 . . . . . 193 MET CA . 34004 1 141 . 1 1 13 13 MET CB C 13 37.440 0.10 . 1 . . . . . 193 MET CB . 34004 1 142 . 1 1 13 13 MET CE C 13 17.220 0.10 . 1 . . . . . 193 MET CE . 34004 1 143 . 1 1 13 13 MET N N 15 120.490 0.10 . 1 . . . . . 193 MET N . 34004 1 144 . 1 1 14 14 GLU H H 1 8.510 0.01 . 1 . . . . . 194 GLU H . 34004 1 145 . 1 1 14 14 GLU HA H 1 5.177 0.01 . 1 . . . . . 194 GLU HA . 34004 1 146 . 1 1 14 14 GLU HB2 H 1 1.805 0.01 . 2 . . . . . 194 GLU HB2 . 34004 1 147 . 1 1 14 14 GLU HB3 H 1 1.805 0.01 . 2 . . . . . 194 GLU HB3 . 34004 1 148 . 1 1 14 14 GLU HG2 H 1 1.768 0.01 . 2 . . . . . 194 GLU HG2 . 34004 1 149 . 1 1 14 14 GLU HG3 H 1 1.768 0.01 . 2 . . . . . 194 GLU HG3 . 34004 1 150 . 1 1 14 14 GLU C C 13 174.000 0.10 . 1 . . . . . 194 GLU C . 34004 1 151 . 1 1 14 14 GLU CA C 13 55.650 0.10 . 1 . . . . . 194 GLU CA . 34004 1 152 . 1 1 14 14 GLU CB C 13 31.940 0.10 . 1 . . . . . 194 GLU CB . 34004 1 153 . 1 1 14 14 GLU N N 15 122.880 0.10 . 1 . . . . . 194 GLU N . 34004 1 154 . 1 1 15 15 ILE H H 1 8.499 0.01 . 1 . . . . . 195 ILE H . 34004 1 155 . 1 1 15 15 ILE HA H 1 4.075 0.01 . 1 . . . . . 195 ILE HA . 34004 1 156 . 1 1 15 15 ILE HB H 1 1.209 0.01 . 1 . . . . . 195 ILE HB . 34004 1 157 . 1 1 15 15 ILE HG12 H 1 0.627 0.01 . 2 . . . . . 195 ILE HG12 . 34004 1 158 . 1 1 15 15 ILE HG13 H 1 0.818 0.01 . 2 . . . . . 195 ILE HG13 . 34004 1 159 . 1 1 15 15 ILE HG21 H 1 0.494 0.01 . 1 . . . . . 195 ILE HG21 . 34004 1 160 . 1 1 15 15 ILE HG22 H 1 0.494 0.01 . 1 . . . . . 195 ILE HG22 . 34004 1 161 . 1 1 15 15 ILE HG23 H 1 0.494 0.01 . 1 . . . . . 195 ILE HG23 . 34004 1 162 . 1 1 15 15 ILE HD11 H 1 -0.167 0.01 . 1 . . . . . 195 ILE HD11 . 34004 1 163 . 1 1 15 15 ILE HD12 H 1 -0.167 0.01 . 1 . . . . . 195 ILE HD12 . 34004 1 164 . 1 1 15 15 ILE HD13 H 1 -0.167 0.01 . 1 . . . . . 195 ILE HD13 . 34004 1 165 . 1 1 15 15 ILE C C 13 175.420 0.10 . 1 . . . . . 195 ILE C . 34004 1 166 . 1 1 15 15 ILE CA C 13 61.020 0.10 . 1 . . . . . 195 ILE CA . 34004 1 167 . 1 1 15 15 ILE CB C 13 39.740 0.10 . 1 . . . . . 195 ILE CB . 34004 1 168 . 1 1 15 15 ILE CG1 C 13 26.320 0.10 . 1 . . . . . 195 ILE CG1 . 34004 1 169 . 1 1 15 15 ILE CG2 C 13 16.690 0.10 . 1 . . . . . 195 ILE CG2 . 34004 1 170 . 1 1 15 15 ILE CD1 C 13 12.130 0.10 . 1 . . . . . 195 ILE CD1 . 34004 1 171 . 1 1 15 15 ILE N N 15 124.840 0.10 . 1 . . . . . 195 ILE N . 34004 1 172 . 1 1 16 16 ASP H H 1 9.400 0.01 . 1 . . . . . 196 ASP H . 34004 1 173 . 1 1 16 16 ASP HA H 1 4.222 0.01 . 1 . . . . . 196 ASP HA . 34004 1 174 . 1 1 16 16 ASP HB2 H 1 2.553 0.01 . 2 . . . . . 196 ASP HB2 . 34004 1 175 . 1 1 16 16 ASP HB3 H 1 2.923 0.01 . 2 . . . . . 196 ASP HB3 . 34004 1 176 . 1 1 16 16 ASP C C 13 175.010 0.10 . 1 . . . . . 196 ASP C . 34004 1 177 . 1 1 16 16 ASP CA C 13 55.270 0.10 . 1 . . . . . 196 ASP CA . 34004 1 178 . 1 1 16 16 ASP CB C 13 39.680 0.10 . 1 . . . . . 196 ASP CB . 34004 1 179 . 1 1 16 16 ASP N N 15 129.330 0.10 . 1 . . . . . 196 ASP N . 34004 1 180 . 1 1 17 17 GLY H H 1 8.679 0.01 . 1 . . . . . 197 GLY H . 34004 1 181 . 1 1 17 17 GLY HA2 H 1 3.982 0.01 . 2 . . . . . 197 GLY HA2 . 34004 1 182 . 1 1 17 17 GLY HA3 H 1 3.714 0.01 . 2 . . . . . 197 GLY HA3 . 34004 1 183 . 1 1 17 17 GLY C C 13 173.160 0.10 . 1 . . . . . 197 GLY C . 34004 1 184 . 1 1 17 17 GLY CA C 13 45.340 0.10 . 1 . . . . . 197 GLY CA . 34004 1 185 . 1 1 17 17 GLY N N 15 103.460 0.10 . 1 . . . . . 197 GLY N . 34004 1 186 . 1 1 18 18 GLN H H 1 7.968 0.01 . 1 . . . . . 198 GLN H . 34004 1 187 . 1 1 18 18 GLN HA H 1 4.567 0.01 . 1 . . . . . 198 GLN HA . 34004 1 188 . 1 1 18 18 GLN HB2 H 1 2.288 0.01 . 2 . . . . . 198 GLN HB2 . 34004 1 189 . 1 1 18 18 GLN HB3 H 1 2.087 0.01 . 2 . . . . . 198 GLN HB3 . 34004 1 190 . 1 1 18 18 GLN HG2 H 1 2.252 0.01 . 2 . . . . . 198 GLN HG2 . 34004 1 191 . 1 1 18 18 GLN HG3 H 1 2.252 0.01 . 2 . . . . . 198 GLN HG3 . 34004 1 192 . 1 1 18 18 GLN HE21 H 1 6.967 0.01 . 1 . . . . . 198 GLN HE21 . 34004 1 193 . 1 1 18 18 GLN HE22 H 1 7.608 0.01 . 1 . . . . . 198 GLN HE22 . 34004 1 194 . 1 1 18 18 GLN C C 13 173.540 0.10 . 1 . . . . . 198 GLN C . 34004 1 195 . 1 1 18 18 GLN CA C 13 54.620 0.10 . 1 . . . . . 198 GLN CA . 34004 1 196 . 1 1 18 18 GLN CB C 13 30.630 0.10 . 1 . . . . . 198 GLN CB . 34004 1 197 . 1 1 18 18 GLN N N 15 120.480 0.10 . 1 . . . . . 198 GLN N . 34004 1 198 . 1 1 18 18 GLN NE2 N 15 113.880 0.10 . 1 . . . . . 198 GLN NE2 . 34004 1 199 . 1 1 19 19 LYS H H 1 8.560 0.01 . 1 . . . . . 199 LYS H . 34004 1 200 . 1 1 19 19 LYS HA H 1 4.891 0.01 . 1 . . . . . 199 LYS HA . 34004 1 201 . 1 1 19 19 LYS HB2 H 1 1.679 0.01 . 2 . . . . . 199 LYS HB2 . 34004 1 202 . 1 1 19 19 LYS HB3 H 1 1.643 0.01 . 2 . . . . . 199 LYS HB3 . 34004 1 203 . 1 1 19 19 LYS HG2 H 1 1.222 0.01 . 2 . . . . . 199 LYS HG2 . 34004 1 204 . 1 1 19 19 LYS HG3 H 1 1.312 0.01 . 2 . . . . . 199 LYS HG3 . 34004 1 205 . 1 1 19 19 LYS HD2 H 1 1.556 0.01 . 2 . . . . . 199 LYS HD2 . 34004 1 206 . 1 1 19 19 LYS HD3 H 1 1.556 0.01 . 2 . . . . . 199 LYS HD3 . 34004 1 207 . 1 1 19 19 LYS HE2 H 1 2.842 0.01 . 2 . . . . . 199 LYS HE2 . 34004 1 208 . 1 1 19 19 LYS HE3 H 1 2.842 0.01 . 2 . . . . . 199 LYS HE3 . 34004 1 209 . 1 1 19 19 LYS C C 13 174.470 0.10 . 1 . . . . . 199 LYS C . 34004 1 210 . 1 1 19 19 LYS CA C 13 55.710 0.10 . 1 . . . . . 199 LYS CA . 34004 1 211 . 1 1 19 19 LYS CB C 13 34.890 0.10 . 1 . . . . . 199 LYS CB . 34004 1 212 . 1 1 19 19 LYS N N 15 124.060 0.10 . 1 . . . . . 199 LYS N . 34004 1 213 . 1 1 20 20 LEU H H 1 8.651 0.01 . 1 . . . . . 200 LEU H . 34004 1 214 . 1 1 20 20 LEU HA H 1 4.434 0.01 . 1 . . . . . 200 LEU HA . 34004 1 215 . 1 1 20 20 LEU HB2 H 1 1.669 0.01 . 1 . . . . . 200 LEU HB2 . 34004 1 216 . 1 1 20 20 LEU HB3 H 1 1.171 0.01 . 1 . . . . . 200 LEU HB3 . 34004 1 217 . 1 1 20 20 LEU HG H 1 1.272 0.01 . 1 . . . . . 200 LEU HG . 34004 1 218 . 1 1 20 20 LEU HD11 H 1 0.777 0.01 . 2 . . . . . 200 LEU HD11 . 34004 1 219 . 1 1 20 20 LEU HD12 H 1 0.777 0.01 . 2 . . . . . 200 LEU HD12 . 34004 1 220 . 1 1 20 20 LEU HD13 H 1 0.777 0.01 . 2 . . . . . 200 LEU HD13 . 34004 1 221 . 1 1 20 20 LEU HD21 H 1 0.744 0.01 . 2 . . . . . 200 LEU HD21 . 34004 1 222 . 1 1 20 20 LEU HD22 H 1 0.744 0.01 . 2 . . . . . 200 LEU HD22 . 34004 1 223 . 1 1 20 20 LEU HD23 H 1 0.744 0.01 . 2 . . . . . 200 LEU HD23 . 34004 1 224 . 1 1 20 20 LEU C C 13 173.050 0.10 . 1 . . . . . 200 LEU C . 34004 1 225 . 1 1 20 20 LEU CA C 13 54.520 0.10 . 1 . . . . . 200 LEU CA . 34004 1 226 . 1 1 20 20 LEU CB C 13 44.950 0.10 . 1 . . . . . 200 LEU CB . 34004 1 227 . 1 1 20 20 LEU N N 15 124.240 0.10 . 1 . . . . . 200 LEU N . 34004 1 228 . 1 1 21 21 ARG H H 1 8.619 0.01 . 1 . . . . . 201 ARG H . 34004 1 229 . 1 1 21 21 ARG HA H 1 5.188 0.01 . 1 . . . . . 201 ARG HA . 34004 1 230 . 1 1 21 21 ARG HB2 H 1 1.716 0.01 . 2 . . . . . 201 ARG HB2 . 34004 1 231 . 1 1 21 21 ARG HB3 H 1 1.644 0.01 . 2 . . . . . 201 ARG HB3 . 34004 1 232 . 1 1 21 21 ARG HG2 H 1 1.563 0.01 . 2 . . . . . 201 ARG HG2 . 34004 1 233 . 1 1 21 21 ARG HG3 H 1 1.519 0.01 . 2 . . . . . 201 ARG HG3 . 34004 1 234 . 1 1 21 21 ARG HD2 H 1 3.093 0.01 . 2 . . . . . 201 ARG HD2 . 34004 1 235 . 1 1 21 21 ARG HD3 H 1 3.093 0.01 . 2 . . . . . 201 ARG HD3 . 34004 1 236 . 1 1 21 21 ARG HE H 1 7.136 0.01 . 1 . . . . . 201 ARG HE . 34004 1 237 . 1 1 21 21 ARG C C 13 173.790 0.10 . 1 . . . . . 201 ARG C . 34004 1 238 . 1 1 21 21 ARG CA C 13 54.650 0.10 . 1 . . . . . 201 ARG CA . 34004 1 239 . 1 1 21 21 ARG CB C 13 31.940 0.10 . 1 . . . . . 201 ARG CB . 34004 1 240 . 1 1 21 21 ARG CD C 13 43.230 0.10 . 1 . . . . . 201 ARG CD . 34004 1 241 . 1 1 21 21 ARG N N 15 127.940 0.10 . 1 . . . . . 201 ARG N . 34004 1 242 . 1 1 22 22 ASP H H 1 8.662 0.01 . 1 . . . . . 202 ASP H . 34004 1 243 . 1 1 22 22 ASP HA H 1 4.797 0.01 . 1 . . . . . 202 ASP HA . 34004 1 244 . 1 1 22 22 ASP HB2 H 1 2.342 0.01 . 1 . . . . . 202 ASP HB2 . 34004 1 245 . 1 1 22 22 ASP HB3 H 1 2.533 0.01 . 1 . . . . . 202 ASP HB3 . 34004 1 246 . 1 1 22 22 ASP C C 13 172.870 0.10 . 1 . . . . . 202 ASP C . 34004 1 247 . 1 1 22 22 ASP CA C 13 53.280 0.10 . 1 . . . . . 202 ASP CA . 34004 1 248 . 1 1 22 22 ASP CB C 13 44.680 0.10 . 1 . . . . . 202 ASP CB . 34004 1 249 . 1 1 22 22 ASP N N 15 123.110 0.10 . 1 . . . . . 202 ASP N . 34004 1 250 . 1 1 23 23 ALA H H 1 9.060 0.01 . 1 . . . . . 203 ALA H . 34004 1 251 . 1 1 23 23 ALA HA H 1 5.093 0.01 . 1 . . . . . 203 ALA HA . 34004 1 252 . 1 1 23 23 ALA HB1 H 1 1.299 0.01 . 1 . . . . . 203 ALA HB1 . 34004 1 253 . 1 1 23 23 ALA HB2 H 1 1.299 0.01 . 1 . . . . . 203 ALA HB2 . 34004 1 254 . 1 1 23 23 ALA HB3 H 1 1.299 0.01 . 1 . . . . . 203 ALA HB3 . 34004 1 255 . 1 1 23 23 ALA C C 13 174.650 0.10 . 1 . . . . . 203 ALA C . 34004 1 256 . 1 1 23 23 ALA CA C 13 51.570 0.10 . 1 . . . . . 203 ALA CA . 34004 1 257 . 1 1 23 23 ALA CB C 13 21.470 0.10 . 1 . . . . . 203 ALA CB . 34004 1 258 . 1 1 23 23 ALA N N 15 123.810 0.10 . 1 . . . . . 203 ALA N . 34004 1 259 . 1 1 24 24 PHE H H 1 8.337 0.01 . 1 . . . . . 204 PHE H . 34004 1 260 . 1 1 24 24 PHE HA H 1 4.920 0.01 . 1 . . . . . 204 PHE HA . 34004 1 261 . 1 1 24 24 PHE HB2 H 1 3.435 0.01 . 1 . . . . . 204 PHE HB2 . 34004 1 262 . 1 1 24 24 PHE HB3 H 1 3.090 0.01 . 1 . . . . . 204 PHE HB3 . 34004 1 263 . 1 1 24 24 PHE HD1 H 1 6.937 0.01 . 3 . . . . . 204 PHE HD1 . 34004 1 264 . 1 1 24 24 PHE HD2 H 1 6.937 0.01 . 3 . . . . . 204 PHE HD2 . 34004 1 265 . 1 1 24 24 PHE HE1 H 1 6.913 0.01 . 3 . . . . . 204 PHE HE1 . 34004 1 266 . 1 1 24 24 PHE HE2 H 1 6.913 0.01 . 3 . . . . . 204 PHE HE2 . 34004 1 267 . 1 1 24 24 PHE HZ H 1 6.847 0.01 . 1 . . . . . 204 PHE HZ . 34004 1 268 . 1 1 24 24 PHE C C 13 172.910 0.10 . 1 . . . . . 204 PHE C . 34004 1 269 . 1 1 24 24 PHE CA C 13 56.100 0.10 . 1 . . . . . 204 PHE CA . 34004 1 270 . 1 1 24 24 PHE CB C 13 39.530 0.10 . 1 . . . . . 204 PHE CB . 34004 1 271 . 1 1 24 24 PHE N N 15 118.340 0.10 . 1 . . . . . 204 PHE N . 34004 1 272 . 1 1 25 25 THR H H 1 8.586 0.01 . 1 . . . . . 205 THR H . 34004 1 273 . 1 1 25 25 THR HA H 1 4.937 0.01 . 1 . . . . . 205 THR HA . 34004 1 274 . 1 1 25 25 THR HB H 1 3.780 0.01 . 1 . . . . . 205 THR HB . 34004 1 275 . 1 1 25 25 THR HG21 H 1 0.925 0.01 . 1 . . . . . 205 THR HG21 . 34004 1 276 . 1 1 25 25 THR HG22 H 1 0.925 0.01 . 1 . . . . . 205 THR HG22 . 34004 1 277 . 1 1 25 25 THR HG23 H 1 0.925 0.01 . 1 . . . . . 205 THR HG23 . 34004 1 278 . 1 1 25 25 THR C C 13 172.310 0.10 . 1 . . . . . 205 THR C . 34004 1 279 . 1 1 25 25 THR CA C 13 60.540 0.10 . 1 . . . . . 205 THR CA . 34004 1 280 . 1 1 25 25 THR CB C 13 71.100 0.10 . 1 . . . . . 205 THR CB . 34004 1 281 . 1 1 25 25 THR CG2 C 13 22.430 0.10 . 1 . . . . . 205 THR CG2 . 34004 1 282 . 1 1 25 25 THR N N 15 112.460 0.10 . 1 . . . . . 205 THR N . 34004 1 283 . 1 1 26 26 TRP H H 1 9.208 0.01 . 1 . . . . . 206 TRP H . 34004 1 284 . 1 1 26 26 TRP HA H 1 4.370 0.01 . 1 . . . . . 206 TRP HA . 34004 1 285 . 1 1 26 26 TRP HB2 H 1 2.906 0.01 . 1 . . . . . 206 TRP HB2 . 34004 1 286 . 1 1 26 26 TRP HB3 H 1 2.719 0.01 . 1 . . . . . 206 TRP HB3 . 34004 1 287 . 1 1 26 26 TRP HD1 H 1 6.650 0.01 . 1 . . . . . 206 TRP HD1 . 34004 1 288 . 1 1 26 26 TRP HE1 H 1 10.322 0.01 . 1 . . . . . 206 TRP HE1 . 34004 1 289 . 1 1 26 26 TRP HE3 H 1 6.929 0.01 . 1 . . . . . 206 TRP HE3 . 34004 1 290 . 1 1 26 26 TRP HZ2 H 1 7.304 0.01 . 1 . . . . . 206 TRP HZ2 . 34004 1 291 . 1 1 26 26 TRP HZ3 H 1 6.222 0.01 . 1 . . . . . 206 TRP HZ3 . 34004 1 292 . 1 1 26 26 TRP HH2 H 1 6.600 0.01 . 1 . . . . . 206 TRP HH2 . 34004 1 293 . 1 1 26 26 TRP C C 13 173.330 0.10 . 1 . . . . . 206 TRP C . 34004 1 294 . 1 1 26 26 TRP CA C 13 55.710 0.10 . 1 . . . . . 206 TRP CA . 34004 1 295 . 1 1 26 26 TRP CB C 13 31.890 0.10 . 1 . . . . . 206 TRP CB . 34004 1 296 . 1 1 26 26 TRP N N 15 125.340 0.10 . 1 . . . . . 206 TRP N . 34004 1 297 . 1 1 27 27 ASN H H 1 7.681 0.01 . 1 . . . . . 207 ASN H . 34004 1 298 . 1 1 27 27 ASN HA H 1 4.795 0.01 . 1 . . . . . 207 ASN HA . 34004 1 299 . 1 1 27 27 ASN HB2 H 1 2.346 0.01 . 2 . . . . . 207 ASN HB2 . 34004 1 300 . 1 1 27 27 ASN HB3 H 1 2.577 0.01 . 2 . . . . . 207 ASN HB3 . 34004 1 301 . 1 1 27 27 ASN HD21 H 1 6.917 0.01 . 1 . . . . . 207 ASN HD21 . 34004 1 302 . 1 1 27 27 ASN HD22 H 1 7.550 0.01 . 1 . . . . . 207 ASN HD22 . 34004 1 303 . 1 1 27 27 ASN C C 13 175.100 0.10 . 1 . . . . . 207 ASN C . 34004 1 304 . 1 1 27 27 ASN CA C 13 51.300 0.10 . 1 . . . . . 207 ASN CA . 34004 1 305 . 1 1 27 27 ASN CB C 13 38.040 0.10 . 1 . . . . . 207 ASN CB . 34004 1 306 . 1 1 27 27 ASN N N 15 125.740 0.10 . 1 . . . . . 207 ASN N . 34004 1 307 . 1 1 27 27 ASN ND2 N 15 111.780 0.10 . 1 . . . . . 207 ASN ND2 . 34004 1 308 . 1 1 28 28 MET H H 1 8.908 0.01 . 1 . . . . . 208 MET H . 34004 1 309 . 1 1 28 28 MET HA H 1 4.388 0.01 . 1 . . . . . 208 MET HA . 34004 1 310 . 1 1 28 28 MET HB2 H 1 2.114 0.01 . 1 . . . . . 208 MET HB2 . 34004 1 311 . 1 1 28 28 MET HB3 H 1 1.984 0.01 . 1 . . . . . 208 MET HB3 . 34004 1 312 . 1 1 28 28 MET HG2 H 1 2.547 0.01 . 2 . . . . . 208 MET HG2 . 34004 1 313 . 1 1 28 28 MET HG3 H 1 2.454 0.01 . 2 . . . . . 208 MET HG3 . 34004 1 314 . 1 1 28 28 MET HE1 H 1 2.031 0.01 . 1 . . . . . 208 MET HE1 . 34004 1 315 . 1 1 28 28 MET HE2 H 1 2.031 0.01 . 1 . . . . . 208 MET HE2 . 34004 1 316 . 1 1 28 28 MET HE3 H 1 2.031 0.01 . 1 . . . . . 208 MET HE3 . 34004 1 317 . 1 1 28 28 MET C C 13 176.580 0.10 . 1 . . . . . 208 MET C . 34004 1 318 . 1 1 28 28 MET CA C 13 56.480 0.10 . 1 . . . . . 208 MET CA . 34004 1 319 . 1 1 28 28 MET CB C 13 31.400 0.10 . 1 . . . . . 208 MET CB . 34004 1 320 . 1 1 28 28 MET CE C 13 16.190 0.10 . 1 . . . . . 208 MET CE . 34004 1 321 . 1 1 28 28 MET N N 15 123.880 0.10 . 1 . . . . . 208 MET N . 34004 1 322 . 1 1 29 29 ASN H H 1 8.275 0.01 . 1 . . . . . 209 ASN H . 34004 1 323 . 1 1 29 29 ASN HA H 1 4.712 0.01 . 1 . . . . . 209 ASN HA . 34004 1 324 . 1 1 29 29 ASN HB2 H 1 2.606 0.01 . 2 . . . . . 209 ASN HB2 . 34004 1 325 . 1 1 29 29 ASN HB3 H 1 2.821 0.01 . 2 . . . . . 209 ASN HB3 . 34004 1 326 . 1 1 29 29 ASN HD21 H 1 6.860 0.01 . 1 . . . . . 209 ASN HD21 . 34004 1 327 . 1 1 29 29 ASN HD22 H 1 7.664 0.01 . 1 . . . . . 209 ASN HD22 . 34004 1 328 . 1 1 29 29 ASN C C 13 174.230 0.10 . 1 . . . . . 209 ASN C . 34004 1 329 . 1 1 29 29 ASN CA C 13 52.770 0.10 . 1 . . . . . 209 ASN CA . 34004 1 330 . 1 1 29 29 ASN CB C 13 38.460 0.10 . 1 . . . . . 209 ASN CB . 34004 1 331 . 1 1 29 29 ASN N N 15 115.660 0.10 . 1 . . . . . 209 ASN N . 34004 1 332 . 1 1 29 29 ASN ND2 N 15 112.430 0.10 . 1 . . . . . 209 ASN ND2 . 34004 1 333 . 1 1 30 30 GLU H H 1 7.403 0.01 . 1 . . . . . 210 GLU H . 34004 1 334 . 1 1 30 30 GLU HA H 1 3.928 0.01 . 1 . . . . . 210 GLU HA . 34004 1 335 . 1 1 30 30 GLU HB2 H 1 1.807 0.01 . 1 . . . . . 210 GLU HB2 . 34004 1 336 . 1 1 30 30 GLU HB3 H 1 1.864 0.01 . 1 . . . . . 210 GLU HB3 . 34004 1 337 . 1 1 30 30 GLU HG2 H 1 2.038 0.01 . 2 . . . . . 210 GLU HG2 . 34004 1 338 . 1 1 30 30 GLU HG3 H 1 2.038 0.01 . 2 . . . . . 210 GLU HG3 . 34004 1 339 . 1 1 30 30 GLU C C 13 176.060 0.10 . 1 . . . . . 210 GLU C . 34004 1 340 . 1 1 30 30 GLU CA C 13 56.610 0.10 . 1 . . . . . 210 GLU CA . 34004 1 341 . 1 1 30 30 GLU CB C 13 29.710 0.10 . 1 . . . . . 210 GLU CB . 34004 1 342 . 1 1 30 30 GLU N N 15 121.680 0.10 . 1 . . . . . 210 GLU N . 34004 1 343 . 1 1 31 31 LYS H H 1 8.613 0.01 . 1 . . . . . 211 LYS H . 34004 1 344 . 1 1 31 31 LYS HA H 1 4.414 0.01 . 1 . . . . . 211 LYS HA . 34004 1 345 . 1 1 31 31 LYS HB2 H 1 1.826 0.01 . 2 . . . . . 211 LYS HB2 . 34004 1 346 . 1 1 31 31 LYS HB3 H 1 1.627 0.01 . 2 . . . . . 211 LYS HB3 . 34004 1 347 . 1 1 31 31 LYS HG2 H 1 1.365 0.01 . 2 . . . . . 211 LYS HG2 . 34004 1 348 . 1 1 31 31 LYS HG3 H 1 1.533 0.01 . 2 . . . . . 211 LYS HG3 . 34004 1 349 . 1 1 31 31 LYS HD2 H 1 1.537 0.01 . 2 . . . . . 211 LYS HD2 . 34004 1 350 . 1 1 31 31 LYS HD3 H 1 1.594 0.01 . 2 . . . . . 211 LYS HD3 . 34004 1 351 . 1 1 31 31 LYS HE2 H 1 2.914 0.01 . 2 . . . . . 211 LYS HE2 . 34004 1 352 . 1 1 31 31 LYS HE3 H 1 2.914 0.01 . 2 . . . . . 211 LYS HE3 . 34004 1 353 . 1 1 31 31 LYS C C 13 175.990 0.10 . 1 . . . . . 211 LYS C . 34004 1 354 . 1 1 31 31 LYS CA C 13 56.170 0.10 . 1 . . . . . 211 LYS CA . 34004 1 355 . 1 1 31 31 LYS CB C 13 33.710 0.10 . 1 . . . . . 211 LYS CB . 34004 1 356 . 1 1 31 31 LYS N N 15 125.000 0.10 . 1 . . . . . 211 LYS N . 34004 1 357 . 1 1 32 32 LEU H H 1 8.377 0.01 . 1 . . . . . 212 LEU H . 34004 1 358 . 1 1 32 32 LEU HA H 1 4.357 0.01 . 1 . . . . . 212 LEU HA . 34004 1 359 . 1 1 32 32 LEU HB2 H 1 1.512 0.01 . 1 . . . . . 212 LEU HB2 . 34004 1 360 . 1 1 32 32 LEU HB3 H 1 1.659 0.01 . 1 . . . . . 212 LEU HB3 . 34004 1 361 . 1 1 32 32 LEU HG H 1 1.528 0.01 . 1 . . . . . 212 LEU HG . 34004 1 362 . 1 1 32 32 LEU HD11 H 1 0.838 0.01 . 2 . . . . . 212 LEU HD11 . 34004 1 363 . 1 1 32 32 LEU HD12 H 1 0.838 0.01 . 2 . . . . . 212 LEU HD12 . 34004 1 364 . 1 1 32 32 LEU HD13 H 1 0.838 0.01 . 2 . . . . . 212 LEU HD13 . 34004 1 365 . 1 1 32 32 LEU HD21 H 1 0.778 0.01 . 2 . . . . . 212 LEU HD21 . 34004 1 366 . 1 1 32 32 LEU HD22 H 1 0.778 0.01 . 2 . . . . . 212 LEU HD22 . 34004 1 367 . 1 1 32 32 LEU HD23 H 1 0.778 0.01 . 2 . . . . . 212 LEU HD23 . 34004 1 368 . 1 1 32 32 LEU C C 13 176.360 0.10 . 1 . . . . . 212 LEU C . 34004 1 369 . 1 1 32 32 LEU CA C 13 56.130 0.10 . 1 . . . . . 212 LEU CA . 34004 1 370 . 1 1 32 32 LEU CB C 13 42.890 0.10 . 1 . . . . . 212 LEU CB . 34004 1 371 . 1 1 32 32 LEU N N 15 120.920 0.10 . 1 . . . . . 212 LEU N . 34004 1 372 . 1 1 33 33 MET H H 1 8.461 0.01 . 1 . . . . . 213 MET H . 34004 1 373 . 1 1 33 33 MET HA H 1 4.758 0.01 . 1 . . . . . 213 MET HA . 34004 1 374 . 1 1 33 33 MET HB2 H 1 1.932 0.01 . 2 . . . . . 213 MET HB2 . 34004 1 375 . 1 1 33 33 MET HB3 H 1 1.863 0.01 . 2 . . . . . 213 MET HB3 . 34004 1 376 . 1 1 33 33 MET HG2 H 1 2.540 0.01 . 2 . . . . . 213 MET HG2 . 34004 1 377 . 1 1 33 33 MET HG3 H 1 2.427 0.01 . 2 . . . . . 213 MET HG3 . 34004 1 378 . 1 1 33 33 MET HE1 H 1 2.026 0.01 . 1 . . . . . 213 MET HE1 . 34004 1 379 . 1 1 33 33 MET HE2 H 1 2.026 0.01 . 1 . . . . . 213 MET HE2 . 34004 1 380 . 1 1 33 33 MET HE3 H 1 2.026 0.01 . 1 . . . . . 213 MET HE3 . 34004 1 381 . 1 1 33 33 MET C C 13 174.760 0.10 . 1 . . . . . 213 MET C . 34004 1 382 . 1 1 33 33 MET CA C 13 54.850 0.10 . 1 . . . . . 213 MET CA . 34004 1 383 . 1 1 33 33 MET CB C 13 33.060 0.10 . 1 . . . . . 213 MET CB . 34004 1 384 . 1 1 33 33 MET CE C 13 16.140 0.10 . 1 . . . . . 213 MET CE . 34004 1 385 . 1 1 33 33 MET N N 15 119.790 0.10 . 1 . . . . . 213 MET N . 34004 1 386 . 1 1 34 34 THR H H 1 7.732 0.01 . 1 . . . . . 214 THR H . 34004 1 387 . 1 1 34 34 THR HA H 1 4.966 0.01 . 1 . . . . . 214 THR HA . 34004 1 388 . 1 1 34 34 THR HB H 1 4.704 0.01 . 1 . . . . . 214 THR HB . 34004 1 389 . 1 1 34 34 THR HG1 H 1 6.042 0.01 . 1 . . . . . 214 THR HG1 . 34004 1 390 . 1 1 34 34 THR HG21 H 1 1.379 0.01 . 1 . . . . . 214 THR HG21 . 34004 1 391 . 1 1 34 34 THR HG22 H 1 1.379 0.01 . 1 . . . . . 214 THR HG22 . 34004 1 392 . 1 1 34 34 THR HG23 H 1 1.379 0.01 . 1 . . . . . 214 THR HG23 . 34004 1 393 . 1 1 34 34 THR C C 13 173.590 0.10 . 1 . . . . . 214 THR C . 34004 1 394 . 1 1 34 34 THR CA C 13 59.400 0.10 . 1 . . . . . 214 THR CA . 34004 1 395 . 1 1 34 34 THR CB C 13 69.330 0.10 . 1 . . . . . 214 THR CB . 34004 1 396 . 1 1 34 34 THR CG2 C 13 22.020 0.10 . 1 . . . . . 214 THR CG2 . 34004 1 397 . 1 1 34 34 THR N N 15 115.680 0.10 . 1 . . . . . 214 THR N . 34004 1 398 . 1 1 35 35 PRO HA H 1 4.052 0.01 . 1 . . . . . 215 PRO HA . 34004 1 399 . 1 1 35 35 PRO HB2 H 1 1.675 0.01 . 2 . . . . . 215 PRO HB2 . 34004 1 400 . 1 1 35 35 PRO HB3 H 1 1.889 0.01 . 2 . . . . . 215 PRO HB3 . 34004 1 401 . 1 1 35 35 PRO HG2 H 1 1.137 0.01 . 2 . . . . . 215 PRO HG2 . 34004 1 402 . 1 1 35 35 PRO HG3 H 1 1.757 0.01 . 2 . . . . . 215 PRO HG3 . 34004 1 403 . 1 1 35 35 PRO HD2 H 1 4.051 0.01 . 2 . . . . . 215 PRO HD2 . 34004 1 404 . 1 1 35 35 PRO HD3 H 1 3.802 0.01 . 2 . . . . . 215 PRO HD3 . 34004 1 405 . 1 1 35 35 PRO C C 13 177.800 0.10 . 1 . . . . . 215 PRO C . 34004 1 406 . 1 1 35 35 PRO CA C 13 66.050 0.10 . 1 . . . . . 215 PRO CA . 34004 1 407 . 1 1 35 35 PRO CB C 13 31.950 0.10 . 1 . . . . . 215 PRO CB . 34004 1 408 . 1 1 36 36 GLU H H 1 9.106 0.01 . 1 . . . . . 216 GLU H . 34004 1 409 . 1 1 36 36 GLU HA H 1 3.697 0.01 . 1 . . . . . 216 GLU HA . 34004 1 410 . 1 1 36 36 GLU HB2 H 1 2.047 0.01 . 2 . . . . . 216 GLU HB2 . 34004 1 411 . 1 1 36 36 GLU HB3 H 1 1.834 0.01 . 2 . . . . . 216 GLU HB3 . 34004 1 412 . 1 1 36 36 GLU HG2 H 1 2.560 0.01 . 2 . . . . . 216 GLU HG2 . 34004 1 413 . 1 1 36 36 GLU HG3 H 1 2.560 0.01 . 2 . . . . . 216 GLU HG3 . 34004 1 414 . 1 1 36 36 GLU C C 13 177.050 0.10 . 1 . . . . . 216 GLU C . 34004 1 415 . 1 1 36 36 GLU CA C 13 62.700 0.10 . 1 . . . . . 216 GLU CA . 34004 1 416 . 1 1 36 36 GLU CB C 13 28.030 0.10 . 1 . . . . . 216 GLU CB . 34004 1 417 . 1 1 36 36 GLU N N 15 119.730 0.10 . 1 . . . . . 216 GLU N . 34004 1 418 . 1 1 37 37 MET H H 1 7.992 0.01 . 1 . . . . . 217 MET H . 34004 1 419 . 1 1 37 37 MET HA H 1 4.066 0.01 . 1 . . . . . 217 MET HA . 34004 1 420 . 1 1 37 37 MET HB2 H 1 2.217 0.01 . 2 . . . . . 217 MET HB2 . 34004 1 421 . 1 1 37 37 MET HB3 H 1 2.300 0.01 . 2 . . . . . 217 MET HB3 . 34004 1 422 . 1 1 37 37 MET HG2 H 1 2.590 0.01 . 2 . . . . . 217 MET HG2 . 34004 1 423 . 1 1 37 37 MET HG3 H 1 2.590 0.01 . 2 . . . . . 217 MET HG3 . 34004 1 424 . 1 1 37 37 MET HE1 H 1 2.166 0.01 . 1 . . . . . 217 MET HE1 . 34004 1 425 . 1 1 37 37 MET HE2 H 1 2.166 0.01 . 1 . . . . . 217 MET HE2 . 34004 1 426 . 1 1 37 37 MET HE3 H 1 2.166 0.01 . 1 . . . . . 217 MET HE3 . 34004 1 427 . 1 1 37 37 MET C C 13 178.310 0.10 . 1 . . . . . 217 MET C . 34004 1 428 . 1 1 37 37 MET CA C 13 59.100 0.10 . 1 . . . . . 217 MET CA . 34004 1 429 . 1 1 37 37 MET CB C 13 34.500 0.10 . 1 . . . . . 217 MET CB . 34004 1 430 . 1 1 37 37 MET CE C 13 16.870 0.10 . 1 . . . . . 217 MET CE . 34004 1 431 . 1 1 37 37 MET N N 15 120.730 0.10 . 1 . . . . . 217 MET N . 34004 1 432 . 1 1 38 38 PHE H H 1 8.441 0.01 . 1 . . . . . 218 PHE H . 34004 1 433 . 1 1 38 38 PHE HA H 1 4.064 0.01 . 1 . . . . . 218 PHE HA . 34004 1 434 . 1 1 38 38 PHE HB2 H 1 3.149 0.01 . 1 . . . . . 218 PHE HB2 . 34004 1 435 . 1 1 38 38 PHE HB3 H 1 3.370 0.01 . 1 . . . . . 218 PHE HB3 . 34004 1 436 . 1 1 38 38 PHE HD1 H 1 6.973 0.01 . 3 . . . . . 218 PHE HD1 . 34004 1 437 . 1 1 38 38 PHE HD2 H 1 6.973 0.01 . 3 . . . . . 218 PHE HD2 . 34004 1 438 . 1 1 38 38 PHE HE1 H 1 6.737 0.01 . 3 . . . . . 218 PHE HE1 . 34004 1 439 . 1 1 38 38 PHE HE2 H 1 6.737 0.01 . 3 . . . . . 218 PHE HE2 . 34004 1 440 . 1 1 38 38 PHE HZ H 1 6.468 0.01 . 1 . . . . . 218 PHE HZ . 34004 1 441 . 1 1 38 38 PHE C C 13 176.610 0.10 . 1 . . . . . 218 PHE C . 34004 1 442 . 1 1 38 38 PHE CA C 13 61.530 0.10 . 1 . . . . . 218 PHE CA . 34004 1 443 . 1 1 38 38 PHE CB C 13 40.000 0.10 . 1 . . . . . 218 PHE CB . 34004 1 444 . 1 1 38 38 PHE N N 15 119.240 0.10 . 1 . . . . . 218 PHE N . 34004 1 445 . 1 1 39 39 SER H H 1 8.162 0.01 . 1 . . . . . 219 SER H . 34004 1 446 . 1 1 39 39 SER HA H 1 3.845 0.01 . 1 . . . . . 219 SER HA . 34004 1 447 . 1 1 39 39 SER HB2 H 1 3.790 0.01 . 2 . . . . . 219 SER HB2 . 34004 1 448 . 1 1 39 39 SER HB3 H 1 4.254 0.01 . 2 . . . . . 219 SER HB3 . 34004 1 449 . 1 1 39 39 SER C C 13 174.820 0.10 . 1 . . . . . 219 SER C . 34004 1 450 . 1 1 39 39 SER CA C 13 62.700 0.10 . 1 . . . . . 219 SER CA . 34004 1 451 . 1 1 39 39 SER CB C 13 63.780 0.10 . 1 . . . . . 219 SER CB . 34004 1 452 . 1 1 39 39 SER N N 15 114.820 0.10 . 1 . . . . . 219 SER N . 34004 1 453 . 1 1 40 40 GLU H H 1 8.038 0.01 . 1 . . . . . 220 GLU H . 34004 1 454 . 1 1 40 40 GLU HA H 1 3.628 0.01 . 1 . . . . . 220 GLU HA . 34004 1 455 . 1 1 40 40 GLU HB2 H 1 1.969 0.01 . 1 . . . . . 220 GLU HB2 . 34004 1 456 . 1 1 40 40 GLU HB3 H 1 2.150 0.01 . 1 . . . . . 220 GLU HB3 . 34004 1 457 . 1 1 40 40 GLU HG2 H 1 2.426 0.01 . 2 . . . . . 220 GLU HG2 . 34004 1 458 . 1 1 40 40 GLU HG3 H 1 2.426 0.01 . 2 . . . . . 220 GLU HG3 . 34004 1 459 . 1 1 40 40 GLU C C 13 178.210 0.10 . 1 . . . . . 220 GLU C . 34004 1 460 . 1 1 40 40 GLU CA C 13 59.980 0.10 . 1 . . . . . 220 GLU CA . 34004 1 461 . 1 1 40 40 GLU CB C 13 29.480 0.10 . 1 . . . . . 220 GLU CB . 34004 1 462 . 1 1 40 40 GLU N N 15 122.400 0.10 . 1 . . . . . 220 GLU N . 34004 1 463 . 1 1 41 41 ILE H H 1 7.301 0.01 . 1 . . . . . 221 ILE H . 34004 1 464 . 1 1 41 41 ILE HA H 1 3.570 0.01 . 1 . . . . . 221 ILE HA . 34004 1 465 . 1 1 41 41 ILE HB H 1 1.618 0.01 . 1 . . . . . 221 ILE HB . 34004 1 466 . 1 1 41 41 ILE HG12 H 1 0.951 0.01 . 2 . . . . . 221 ILE HG12 . 34004 1 467 . 1 1 41 41 ILE HG13 H 1 0.951 0.01 . 2 . . . . . 221 ILE HG13 . 34004 1 468 . 1 1 41 41 ILE HG21 H 1 0.667 0.01 . 1 . . . . . 221 ILE HG21 . 34004 1 469 . 1 1 41 41 ILE HG22 H 1 0.667 0.01 . 1 . . . . . 221 ILE HG22 . 34004 1 470 . 1 1 41 41 ILE HG23 H 1 0.667 0.01 . 1 . . . . . 221 ILE HG23 . 34004 1 471 . 1 1 41 41 ILE HD11 H 1 0.760 0.01 . 1 . . . . . 221 ILE HD11 . 34004 1 472 . 1 1 41 41 ILE HD12 H 1 0.760 0.01 . 1 . . . . . 221 ILE HD12 . 34004 1 473 . 1 1 41 41 ILE HD13 H 1 0.760 0.01 . 1 . . . . . 221 ILE HD13 . 34004 1 474 . 1 1 41 41 ILE C C 13 177.220 0.10 . 1 . . . . . 221 ILE C . 34004 1 475 . 1 1 41 41 ILE CA C 13 64.910 0.10 . 1 . . . . . 221 ILE CA . 34004 1 476 . 1 1 41 41 ILE CB C 13 37.800 0.10 . 1 . . . . . 221 ILE CB . 34004 1 477 . 1 1 41 41 ILE CG1 C 13 27.440 0.10 . 1 . . . . . 221 ILE CG1 . 34004 1 478 . 1 1 41 41 ILE CG2 C 13 16.830 0.10 . 1 . . . . . 221 ILE CG2 . 34004 1 479 . 1 1 41 41 ILE CD1 C 13 13.480 0.10 . 1 . . . . . 221 ILE CD1 . 34004 1 480 . 1 1 41 41 ILE N N 15 121.000 0.10 . 1 . . . . . 221 ILE N . 34004 1 481 . 1 1 42 42 LEU H H 1 7.659 0.01 . 1 . . . . . 222 LEU H . 34004 1 482 . 1 1 42 42 LEU HA H 1 3.773 0.01 . 1 . . . . . 222 LEU HA . 34004 1 483 . 1 1 42 42 LEU HB2 H 1 1.306 0.01 . 1 . . . . . 222 LEU HB2 . 34004 1 484 . 1 1 42 42 LEU HB3 H 1 1.109 0.01 . 1 . . . . . 222 LEU HB3 . 34004 1 485 . 1 1 42 42 LEU HG H 1 1.202 0.01 . 1 . . . . . 222 LEU HG . 34004 1 486 . 1 1 42 42 LEU HD11 H 1 0.576 0.01 . 2 . . . . . 222 LEU HD11 . 34004 1 487 . 1 1 42 42 LEU HD12 H 1 0.576 0.01 . 2 . . . . . 222 LEU HD12 . 34004 1 488 . 1 1 42 42 LEU HD13 H 1 0.576 0.01 . 2 . . . . . 222 LEU HD13 . 34004 1 489 . 1 1 42 42 LEU HD21 H 1 0.570 0.01 . 2 . . . . . 222 LEU HD21 . 34004 1 490 . 1 1 42 42 LEU HD22 H 1 0.570 0.01 . 2 . . . . . 222 LEU HD22 . 34004 1 491 . 1 1 42 42 LEU HD23 H 1 0.570 0.01 . 2 . . . . . 222 LEU HD23 . 34004 1 492 . 1 1 42 42 LEU C C 13 178.300 0.10 . 1 . . . . . 222 LEU C . 34004 1 493 . 1 1 42 42 LEU CA C 13 57.930 0.10 . 1 . . . . . 222 LEU CA . 34004 1 494 . 1 1 42 42 LEU CB C 13 41.940 0.10 . 1 . . . . . 222 LEU CB . 34004 1 495 . 1 1 42 42 LEU CD1 C 13 24.530 0.10 . 1 . . . . . 222 LEU CD1 . 34004 1 496 . 1 1 42 42 LEU CD2 C 13 24.820 0.10 . 1 . . . . . 222 LEU CD2 . 34004 1 497 . 1 1 42 42 LEU N N 15 120.550 0.10 . 1 . . . . . 222 LEU N . 34004 1 498 . 1 1 43 43 CYS H H 1 8.002 0.01 . 1 . . . . . 223 CYS H . 34004 1 499 . 1 1 43 43 CYS HA H 1 3.657 0.01 . 1 . . . . . 223 CYS HA . 34004 1 500 . 1 1 43 43 CYS HB2 H 1 2.705 0.01 . 1 . . . . . 223 CYS HB2 . 34004 1 501 . 1 1 43 43 CYS HB3 H 1 2.927 0.01 . 1 . . . . . 223 CYS HB3 . 34004 1 502 . 1 1 43 43 CYS HG H 1 2.656 0.01 . 1 . . . . . 223 CYS HG . 34004 1 503 . 1 1 43 43 CYS C C 13 176.220 0.10 . 1 . . . . . 223 CYS C . 34004 1 504 . 1 1 43 43 CYS CA C 13 64.570 0.10 . 1 . . . . . 223 CYS CA . 34004 1 505 . 1 1 43 43 CYS CB C 13 25.880 0.10 . 1 . . . . . 223 CYS CB . 34004 1 506 . 1 1 43 43 CYS N N 15 113.560 0.10 . 1 . . . . . 223 CYS N . 34004 1 507 . 1 1 44 44 ASP H H 1 7.485 0.01 . 1 . . . . . 224 ASP H . 34004 1 508 . 1 1 44 44 ASP HA H 1 4.410 0.01 . 1 . . . . . 224 ASP HA . 34004 1 509 . 1 1 44 44 ASP HB2 H 1 2.667 0.01 . 2 . . . . . 224 ASP HB2 . 34004 1 510 . 1 1 44 44 ASP HB3 H 1 2.667 0.01 . 2 . . . . . 224 ASP HB3 . 34004 1 511 . 1 1 44 44 ASP C C 13 177.800 0.10 . 1 . . . . . 224 ASP C . 34004 1 512 . 1 1 44 44 ASP CA C 13 56.850 0.10 . 1 . . . . . 224 ASP CA . 34004 1 513 . 1 1 44 44 ASP CB C 13 40.860 0.10 . 1 . . . . . 224 ASP CB . 34004 1 514 . 1 1 44 44 ASP N N 15 119.120 0.10 . 1 . . . . . 224 ASP N . 34004 1 515 . 1 1 45 45 ASP H H 1 8.188 0.01 . 1 . . . . . 225 ASP H . 34004 1 516 . 1 1 45 45 ASP HA H 1 4.233 0.01 . 1 . . . . . 225 ASP HA . 34004 1 517 . 1 1 45 45 ASP HB2 H 1 2.629 0.01 . 2 . . . . . 225 ASP HB2 . 34004 1 518 . 1 1 45 45 ASP HB3 H 1 2.493 0.01 . 2 . . . . . 225 ASP HB3 . 34004 1 519 . 1 1 45 45 ASP C C 13 177.520 0.10 . 1 . . . . . 225 ASP C . 34004 1 520 . 1 1 45 45 ASP CA C 13 57.230 0.10 . 1 . . . . . 225 ASP CA . 34004 1 521 . 1 1 45 45 ASP CB C 13 40.690 0.10 . 1 . . . . . 225 ASP CB . 34004 1 522 . 1 1 45 45 ASP N N 15 119.760 0.10 . 1 . . . . . 225 ASP N . 34004 1 523 . 1 1 46 46 LEU H H 1 7.848 0.01 . 1 . . . . . 226 LEU H . 34004 1 524 . 1 1 46 46 LEU HA H 1 4.230 0.01 . 1 . . . . . 226 LEU HA . 34004 1 525 . 1 1 46 46 LEU HB2 H 1 1.404 0.01 . 2 . . . . . 226 LEU HB2 . 34004 1 526 . 1 1 46 46 LEU HB3 H 1 1.368 0.01 . 2 . . . . . 226 LEU HB3 . 34004 1 527 . 1 1 46 46 LEU HG H 1 1.574 0.01 . 1 . . . . . 226 LEU HG . 34004 1 528 . 1 1 46 46 LEU HD11 H 1 0.696 0.01 . 2 . . . . . 226 LEU HD11 . 34004 1 529 . 1 1 46 46 LEU HD12 H 1 0.696 0.01 . 2 . . . . . 226 LEU HD12 . 34004 1 530 . 1 1 46 46 LEU HD13 H 1 0.696 0.01 . 2 . . . . . 226 LEU HD13 . 34004 1 531 . 1 1 46 46 LEU HD21 H 1 0.710 0.01 . 2 . . . . . 226 LEU HD21 . 34004 1 532 . 1 1 46 46 LEU HD22 H 1 0.710 0.01 . 2 . . . . . 226 LEU HD22 . 34004 1 533 . 1 1 46 46 LEU HD23 H 1 0.710 0.01 . 2 . . . . . 226 LEU HD23 . 34004 1 534 . 1 1 46 46 LEU C C 13 174.920 0.10 . 1 . . . . . 226 LEU C . 34004 1 535 . 1 1 46 46 LEU CA C 13 54.240 0.10 . 1 . . . . . 226 LEU CA . 34004 1 536 . 1 1 46 46 LEU CB C 13 42.200 0.10 . 1 . . . . . 226 LEU CB . 34004 1 537 . 1 1 46 46 LEU CD1 C 13 25.690 0.10 . 1 . . . . . 226 LEU CD1 . 34004 1 538 . 1 1 46 46 LEU CD2 C 13 21.980 0.10 . 1 . . . . . 226 LEU CD2 . 34004 1 539 . 1 1 46 46 LEU N N 15 115.940 0.10 . 1 . . . . . 226 LEU N . 34004 1 540 . 1 1 47 47 ASP H H 1 7.557 0.01 . 1 . . . . . 227 ASP H . 34004 1 541 . 1 1 47 47 ASP HA H 1 4.253 0.01 . 1 . . . . . 227 ASP HA . 34004 1 542 . 1 1 47 47 ASP HB2 H 1 2.481 0.01 . 2 . . . . . 227 ASP HB2 . 34004 1 543 . 1 1 47 47 ASP HB3 H 1 2.917 0.01 . 2 . . . . . 227 ASP HB3 . 34004 1 544 . 1 1 47 47 ASP C C 13 174.060 0.10 . 1 . . . . . 227 ASP C . 34004 1 545 . 1 1 47 47 ASP CA C 13 55.160 0.10 . 1 . . . . . 227 ASP CA . 34004 1 546 . 1 1 47 47 ASP CB C 13 38.940 0.10 . 1 . . . . . 227 ASP CB . 34004 1 547 . 1 1 47 47 ASP N N 15 118.880 0.10 . 1 . . . . . 227 ASP N . 34004 1 548 . 1 1 48 48 LEU H H 1 8.085 0.01 . 1 . . . . . 228 LEU H . 34004 1 549 . 1 1 48 48 LEU HA H 1 4.272 0.01 . 1 . . . . . 228 LEU HA . 34004 1 550 . 1 1 48 48 LEU HB2 H 1 0.626 0.01 . 1 . . . . . 228 LEU HB2 . 34004 1 551 . 1 1 48 48 LEU HB3 H 1 1.115 0.01 . 1 . . . . . 228 LEU HB3 . 34004 1 552 . 1 1 48 48 LEU HG H 1 1.119 0.01 . 1 . . . . . 228 LEU HG . 34004 1 553 . 1 1 48 48 LEU HD11 H 1 0.104 0.01 . 2 . . . . . 228 LEU HD11 . 34004 1 554 . 1 1 48 48 LEU HD12 H 1 0.104 0.01 . 2 . . . . . 228 LEU HD12 . 34004 1 555 . 1 1 48 48 LEU HD13 H 1 0.104 0.01 . 2 . . . . . 228 LEU HD13 . 34004 1 556 . 1 1 48 48 LEU HD21 H 1 0.110 0.01 . 2 . . . . . 228 LEU HD21 . 34004 1 557 . 1 1 48 48 LEU HD22 H 1 0.110 0.01 . 2 . . . . . 228 LEU HD22 . 34004 1 558 . 1 1 48 48 LEU HD23 H 1 0.110 0.01 . 2 . . . . . 228 LEU HD23 . 34004 1 559 . 1 1 48 48 LEU C C 13 176.400 0.10 . 1 . . . . . 228 LEU C . 34004 1 560 . 1 1 48 48 LEU CA C 13 52.540 0.10 . 1 . . . . . 228 LEU CA . 34004 1 561 . 1 1 48 48 LEU CB C 13 43.530 0.10 . 1 . . . . . 228 LEU CB . 34004 1 562 . 1 1 48 48 LEU CG C 13 27.830 0.10 . 1 . . . . . 228 LEU CG . 34004 1 563 . 1 1 48 48 LEU CD1 C 13 25.540 0.10 . 1 . . . . . 228 LEU CD1 . 34004 1 564 . 1 1 48 48 LEU CD2 C 13 21.310 0.10 . 1 . . . . . 228 LEU CD2 . 34004 1 565 . 1 1 48 48 LEU N N 15 117.460 0.10 . 1 . . . . . 228 LEU N . 34004 1 566 . 1 1 49 49 ASN H H 1 8.430 0.01 . 1 . . . . . 229 ASN H . 34004 1 567 . 1 1 49 49 ASN HA H 1 4.706 0.01 . 1 . . . . . 229 ASN HA . 34004 1 568 . 1 1 49 49 ASN HB2 H 1 2.973 0.01 . 2 . . . . . 229 ASN HB2 . 34004 1 569 . 1 1 49 49 ASN HB3 H 1 3.295 0.01 . 2 . . . . . 229 ASN HB3 . 34004 1 570 . 1 1 49 49 ASN HD21 H 1 7.033 0.01 . 1 . . . . . 229 ASN HD21 . 34004 1 571 . 1 1 49 49 ASN HD22 H 1 7.892 0.01 . 1 . . . . . 229 ASN HD22 . 34004 1 572 . 1 1 49 49 ASN C C 13 173.830 0.10 . 1 . . . . . 229 ASN C . 34004 1 573 . 1 1 49 49 ASN CA C 13 50.950 0.10 . 1 . . . . . 229 ASN CA . 34004 1 574 . 1 1 49 49 ASN CB C 13 38.560 0.10 . 1 . . . . . 229 ASN CB . 34004 1 575 . 1 1 49 49 ASN N N 15 120.110 0.10 . 1 . . . . . 229 ASN N . 34004 1 576 . 1 1 49 49 ASN ND2 N 15 112.190 0.10 . 1 . . . . . 229 ASN ND2 . 34004 1 577 . 1 1 50 50 PRO HA H 1 4.653 0.01 . 1 . . . . . 230 PRO HA . 34004 1 578 . 1 1 50 50 PRO HB2 H 1 2.252 0.01 . 2 . . . . . 230 PRO HB2 . 34004 1 579 . 1 1 50 50 PRO HB3 H 1 1.979 0.01 . 2 . . . . . 230 PRO HB3 . 34004 1 580 . 1 1 50 50 PRO HG2 H 1 2.007 0.01 . 2 . . . . . 230 PRO HG2 . 34004 1 581 . 1 1 50 50 PRO HG3 H 1 2.007 0.01 . 2 . . . . . 230 PRO HG3 . 34004 1 582 . 1 1 50 50 PRO HD2 H 1 4.268 0.01 . 2 . . . . . 230 PRO HD2 . 34004 1 583 . 1 1 50 50 PRO HD3 H 1 3.947 0.01 . 2 . . . . . 230 PRO HD3 . 34004 1 584 . 1 1 50 50 PRO C C 13 178.710 0.10 . 1 . . . . . 230 PRO C . 34004 1 585 . 1 1 50 50 PRO CA C 13 64.550 0.10 . 1 . . . . . 230 PRO CA . 34004 1 586 . 1 1 50 50 PRO CB C 13 32.350 0.10 . 1 . . . . . 230 PRO CB . 34004 1 587 . 1 1 50 50 PRO CD C 13 50.830 0.10 . 1 . . . . . 230 PRO CD . 34004 1 588 . 1 1 51 51 LEU H H 1 7.634 0.01 . 1 . . . . . 231 LEU H . 34004 1 589 . 1 1 51 51 LEU HA H 1 3.983 0.01 . 1 . . . . . 231 LEU HA . 34004 1 590 . 1 1 51 51 LEU HB2 H 1 1.484 0.01 . 2 . . . . . 231 LEU HB2 . 34004 1 591 . 1 1 51 51 LEU HB3 H 1 1.742 0.01 . 2 . . . . . 231 LEU HB3 . 34004 1 592 . 1 1 51 51 LEU HG H 1 1.633 0.01 . 1 . . . . . 231 LEU HG . 34004 1 593 . 1 1 51 51 LEU HD11 H 1 0.909 0.01 . 2 . . . . . 231 LEU HD11 . 34004 1 594 . 1 1 51 51 LEU HD12 H 1 0.909 0.01 . 2 . . . . . 231 LEU HD12 . 34004 1 595 . 1 1 51 51 LEU HD13 H 1 0.909 0.01 . 2 . . . . . 231 LEU HD13 . 34004 1 596 . 1 1 51 51 LEU HD21 H 1 0.832 0.01 . 2 . . . . . 231 LEU HD21 . 34004 1 597 . 1 1 51 51 LEU HD22 H 1 0.832 0.01 . 2 . . . . . 231 LEU HD22 . 34004 1 598 . 1 1 51 51 LEU HD23 H 1 0.832 0.01 . 2 . . . . . 231 LEU HD23 . 34004 1 599 . 1 1 51 51 LEU C C 13 177.880 0.10 . 1 . . . . . 231 LEU C . 34004 1 600 . 1 1 51 51 LEU CA C 13 57.450 0.10 . 1 . . . . . 231 LEU CA . 34004 1 601 . 1 1 51 51 LEU CB C 13 41.400 0.10 . 1 . . . . . 231 LEU CB . 34004 1 602 . 1 1 51 51 LEU CD1 C 13 24.650 0.10 . 1 . . . . . 231 LEU CD1 . 34004 1 603 . 1 1 51 51 LEU CD2 C 13 22.970 0.10 . 1 . . . . . 231 LEU CD2 . 34004 1 604 . 1 1 51 51 LEU N N 15 116.640 0.10 . 1 . . . . . 231 LEU N . 34004 1 605 . 1 1 52 52 THR H H 1 6.944 0.01 . 1 . . . . . 232 THR H . 34004 1 606 . 1 1 52 52 THR HA H 1 4.144 0.01 . 1 . . . . . 232 THR HA . 34004 1 607 . 1 1 52 52 THR HB H 1 3.853 0.01 . 1 . . . . . 232 THR HB . 34004 1 608 . 1 1 52 52 THR HG1 H 1 5.243 0.01 . 1 . . . . . 232 THR HG1 . 34004 1 609 . 1 1 52 52 THR HG21 H 1 0.922 0.01 . 1 . . . . . 232 THR HG21 . 34004 1 610 . 1 1 52 52 THR HG22 H 1 0.922 0.01 . 1 . . . . . 232 THR HG22 . 34004 1 611 . 1 1 52 52 THR HG23 H 1 0.922 0.01 . 1 . . . . . 232 THR HG23 . 34004 1 612 . 1 1 52 52 THR C C 13 176.400 0.10 . 1 . . . . . 232 THR C . 34004 1 613 . 1 1 52 52 THR CA C 13 61.490 0.10 . 1 . . . . . 232 THR CA . 34004 1 614 . 1 1 52 52 THR CB C 13 68.440 0.10 . 1 . . . . . 232 THR CB . 34004 1 615 . 1 1 52 52 THR N N 15 105.090 0.10 . 1 . . . . . 232 THR N . 34004 1 616 . 1 1 53 53 PHE H H 1 8.435 0.01 . 1 . . . . . 233 PHE H . 34004 1 617 . 1 1 53 53 PHE HA H 1 4.116 0.01 . 1 . . . . . 233 PHE HA . 34004 1 618 . 1 1 53 53 PHE HB2 H 1 2.703 0.01 . 1 . . . . . 233 PHE HB2 . 34004 1 619 . 1 1 53 53 PHE HB3 H 1 3.075 0.01 . 1 . . . . . 233 PHE HB3 . 34004 1 620 . 1 1 53 53 PHE HD1 H 1 7.310 0.01 . 1 . . . . . 233 PHE HD1 . 34004 1 621 . 1 1 53 53 PHE HD2 H 1 7.310 0.01 . 1 . . . . . 233 PHE HD2 . 34004 1 622 . 1 1 53 53 PHE HE1 H 1 7.197 0.01 . 1 . . . . . 233 PHE HE1 . 34004 1 623 . 1 1 53 53 PHE HE2 H 1 7.197 0.01 . 1 . . . . . 233 PHE HE2 . 34004 1 624 . 1 1 53 53 PHE HZ H 1 7.193 0.01 . 1 . . . . . 233 PHE HZ . 34004 1 625 . 1 1 53 53 PHE C C 13 176.870 0.10 . 1 . . . . . 233 PHE C . 34004 1 626 . 1 1 53 53 PHE CA C 13 63.100 0.10 . 1 . . . . . 233 PHE CA . 34004 1 627 . 1 1 53 53 PHE CB C 13 40.760 0.10 . 1 . . . . . 233 PHE CB . 34004 1 628 . 1 1 53 53 PHE N N 15 119.260 0.10 . 1 . . . . . 233 PHE N . 34004 1 629 . 1 1 54 54 VAL H H 1 8.240 0.01 . 1 . . . . . 234 VAL H . 34004 1 630 . 1 1 54 54 VAL HA H 1 3.755 0.01 . 1 . . . . . 234 VAL HA . 34004 1 631 . 1 1 54 54 VAL HB H 1 2.506 0.01 . 1 . . . . . 234 VAL HB . 34004 1 632 . 1 1 54 54 VAL HG11 H 1 0.906 0.01 . 2 . . . . . 234 VAL HG11 . 34004 1 633 . 1 1 54 54 VAL HG12 H 1 0.906 0.01 . 2 . . . . . 234 VAL HG12 . 34004 1 634 . 1 1 54 54 VAL HG13 H 1 0.906 0.01 . 2 . . . . . 234 VAL HG13 . 34004 1 635 . 1 1 54 54 VAL HG21 H 1 1.003 0.01 . 2 . . . . . 234 VAL HG21 . 34004 1 636 . 1 1 54 54 VAL HG22 H 1 1.003 0.01 . 2 . . . . . 234 VAL HG22 . 34004 1 637 . 1 1 54 54 VAL HG23 H 1 1.003 0.01 . 2 . . . . . 234 VAL HG23 . 34004 1 638 . 1 1 54 54 VAL C C 13 174.210 0.10 . 1 . . . . . 234 VAL C . 34004 1 639 . 1 1 54 54 VAL CA C 13 69.380 0.10 . 1 . . . . . 234 VAL CA . 34004 1 640 . 1 1 54 54 VAL CB C 13 27.980 0.10 . 1 . . . . . 234 VAL CB . 34004 1 641 . 1 1 54 54 VAL CG1 C 13 20.340 0.10 . 1 . . . . . 234 VAL CG1 . 34004 1 642 . 1 1 54 54 VAL CG2 C 13 25.180 0.10 . 1 . . . . . 234 VAL CG2 . 34004 1 643 . 1 1 54 54 VAL N N 15 118.520 0.10 . 1 . . . . . 234 VAL N . 34004 1 644 . 1 1 55 55 PRO HA H 1 4.302 0.01 . 1 . . . . . 235 PRO HA . 34004 1 645 . 1 1 55 55 PRO HB2 H 1 1.780 0.01 . 2 . . . . . 235 PRO HB2 . 34004 1 646 . 1 1 55 55 PRO HB3 H 1 2.157 0.01 . 2 . . . . . 235 PRO HB3 . 34004 1 647 . 1 1 55 55 PRO HG2 H 1 1.913 0.01 . 2 . . . . . 235 PRO HG2 . 34004 1 648 . 1 1 55 55 PRO HG3 H 1 1.944 0.01 . 2 . . . . . 235 PRO HG3 . 34004 1 649 . 1 1 55 55 PRO HD2 H 1 3.405 0.01 . 2 . . . . . 235 PRO HD2 . 34004 1 650 . 1 1 55 55 PRO HD3 H 1 3.481 0.01 . 2 . . . . . 235 PRO HD3 . 34004 1 651 . 1 1 55 55 PRO C C 13 178.990 0.10 . 1 . . . . . 235 PRO C . 34004 1 652 . 1 1 55 55 PRO CA C 13 64.970 0.10 . 1 . . . . . 235 PRO CA . 34004 1 653 . 1 1 55 55 PRO CB C 13 30.350 0.10 . 1 . . . . . 235 PRO CB . 34004 1 654 . 1 1 55 55 PRO CD C 13 49.150 0.10 . 1 . . . . . 235 PRO CD . 34004 1 655 . 1 1 56 56 ALA H H 1 6.536 0.01 . 1 . . . . . 236 ALA H . 34004 1 656 . 1 1 56 56 ALA HA H 1 4.049 0.01 . 1 . . . . . 236 ALA HA . 34004 1 657 . 1 1 56 56 ALA HB1 H 1 1.295 0.01 . 1 . . . . . 236 ALA HB1 . 34004 1 658 . 1 1 56 56 ALA HB2 H 1 1.295 0.01 . 1 . . . . . 236 ALA HB2 . 34004 1 659 . 1 1 56 56 ALA HB3 H 1 1.295 0.01 . 1 . . . . . 236 ALA HB3 . 34004 1 660 . 1 1 56 56 ALA C C 13 179.780 0.10 . 1 . . . . . 236 ALA C . 34004 1 661 . 1 1 56 56 ALA CA C 13 54.870 0.10 . 1 . . . . . 236 ALA CA . 34004 1 662 . 1 1 56 56 ALA CB C 13 19.380 0.10 . 1 . . . . . 236 ALA CB . 34004 1 663 . 1 1 56 56 ALA N N 15 118.820 0.10 . 1 . . . . . 236 ALA N . 34004 1 664 . 1 1 57 57 ILE H H 1 8.945 0.01 . 1 . . . . . 237 ILE H . 34004 1 665 . 1 1 57 57 ILE HA H 1 3.473 0.01 . 1 . . . . . 237 ILE HA . 34004 1 666 . 1 1 57 57 ILE HB H 1 1.874 0.01 . 1 . . . . . 237 ILE HB . 34004 1 667 . 1 1 57 57 ILE HG12 H 1 2.002 0.01 . 2 . . . . . 237 ILE HG12 . 34004 1 668 . 1 1 57 57 ILE HG13 H 1 0.787 0.01 . 2 . . . . . 237 ILE HG13 . 34004 1 669 . 1 1 57 57 ILE HG21 H 1 0.929 0.01 . 1 . . . . . 237 ILE HG21 . 34004 1 670 . 1 1 57 57 ILE HG22 H 1 0.929 0.01 . 1 . . . . . 237 ILE HG22 . 34004 1 671 . 1 1 57 57 ILE HG23 H 1 0.929 0.01 . 1 . . . . . 237 ILE HG23 . 34004 1 672 . 1 1 57 57 ILE HD11 H 1 0.735 0.01 . 1 . . . . . 237 ILE HD11 . 34004 1 673 . 1 1 57 57 ILE HD12 H 1 0.735 0.01 . 1 . . . . . 237 ILE HD12 . 34004 1 674 . 1 1 57 57 ILE HD13 H 1 0.735 0.01 . 1 . . . . . 237 ILE HD13 . 34004 1 675 . 1 1 57 57 ILE C C 13 176.710 0.10 . 1 . . . . . 237 ILE C . 34004 1 676 . 1 1 57 57 ILE CA C 13 65.850 0.10 . 1 . . . . . 237 ILE CA . 34004 1 677 . 1 1 57 57 ILE CB C 13 38.170 0.10 . 1 . . . . . 237 ILE CB . 34004 1 678 . 1 1 57 57 ILE CG1 C 13 28.910 0.10 . 1 . . . . . 237 ILE CG1 . 34004 1 679 . 1 1 57 57 ILE CG2 C 13 18.650 0.10 . 1 . . . . . 237 ILE CG2 . 34004 1 680 . 1 1 57 57 ILE CD1 C 13 15.270 0.10 . 1 . . . . . 237 ILE CD1 . 34004 1 681 . 1 1 57 57 ILE N N 15 120.950 0.10 . 1 . . . . . 237 ILE N . 34004 1 682 . 1 1 58 58 ALA H H 1 8.398 0.01 . 1 . . . . . 238 ALA H . 34004 1 683 . 1 1 58 58 ALA HA H 1 3.558 0.01 . 1 . . . . . 238 ALA HA . 34004 1 684 . 1 1 58 58 ALA HB1 H 1 1.269 0.01 . 1 . . . . . 238 ALA HB1 . 34004 1 685 . 1 1 58 58 ALA HB2 H 1 1.269 0.01 . 1 . . . . . 238 ALA HB2 . 34004 1 686 . 1 1 58 58 ALA HB3 H 1 1.269 0.01 . 1 . . . . . 238 ALA HB3 . 34004 1 687 . 1 1 58 58 ALA C C 13 178.670 0.10 . 1 . . . . . 238 ALA C . 34004 1 688 . 1 1 58 58 ALA CA C 13 56.020 0.10 . 1 . . . . . 238 ALA CA . 34004 1 689 . 1 1 58 58 ALA CB C 13 17.940 0.10 . 1 . . . . . 238 ALA CB . 34004 1 690 . 1 1 58 58 ALA N N 15 121.490 0.10 . 1 . . . . . 238 ALA N . 34004 1 691 . 1 1 59 59 SER H H 1 7.724 0.01 . 1 . . . . . 239 SER H . 34004 1 692 . 1 1 59 59 SER HA H 1 4.063 0.01 . 1 . . . . . 239 SER HA . 34004 1 693 . 1 1 59 59 SER HB2 H 1 3.821 0.01 . 2 . . . . . 239 SER HB2 . 34004 1 694 . 1 1 59 59 SER HB3 H 1 3.887 0.01 . 2 . . . . . 239 SER HB3 . 34004 1 695 . 1 1 59 59 SER C C 13 175.760 0.10 . 1 . . . . . 239 SER C . 34004 1 696 . 1 1 59 59 SER CA C 13 61.280 0.10 . 1 . . . . . 239 SER CA . 34004 1 697 . 1 1 59 59 SER CB C 13 62.820 0.10 . 1 . . . . . 239 SER CB . 34004 1 698 . 1 1 59 59 SER N N 15 109.950 0.10 . 1 . . . . . 239 SER N . 34004 1 699 . 1 1 60 60 ALA H H 1 7.539 0.01 . 1 . . . . . 240 ALA H . 34004 1 700 . 1 1 60 60 ALA HA H 1 4.114 0.01 . 1 . . . . . 240 ALA HA . 34004 1 701 . 1 1 60 60 ALA HB1 H 1 1.371 0.01 . 1 . . . . . 240 ALA HB1 . 34004 1 702 . 1 1 60 60 ALA HB2 H 1 1.371 0.01 . 1 . . . . . 240 ALA HB2 . 34004 1 703 . 1 1 60 60 ALA HB3 H 1 1.371 0.01 . 1 . . . . . 240 ALA HB3 . 34004 1 704 . 1 1 60 60 ALA C C 13 179.510 0.10 . 1 . . . . . 240 ALA C . 34004 1 705 . 1 1 60 60 ALA CA C 13 55.150 0.10 . 1 . . . . . 240 ALA CA . 34004 1 706 . 1 1 60 60 ALA CB C 13 18.080 0.10 . 1 . . . . . 240 ALA CB . 34004 1 707 . 1 1 60 60 ALA N N 15 124.880 0.10 . 1 . . . . . 240 ALA N . 34004 1 708 . 1 1 61 61 ILE H H 1 8.337 0.01 . 1 . . . . . 241 ILE H . 34004 1 709 . 1 1 61 61 ILE HA H 1 3.205 0.01 . 1 . . . . . 241 ILE HA . 34004 1 710 . 1 1 61 61 ILE HB H 1 1.499 0.01 . 1 . . . . . 241 ILE HB . 34004 1 711 . 1 1 61 61 ILE HG12 H 1 1.901 0.01 . 2 . . . . . 241 ILE HG12 . 34004 1 712 . 1 1 61 61 ILE HG13 H 1 0.608 0.01 . 2 . . . . . 241 ILE HG13 . 34004 1 713 . 1 1 61 61 ILE HG21 H 1 -0.262 0.01 . 1 . . . . . 241 ILE HG21 . 34004 1 714 . 1 1 61 61 ILE HG22 H 1 -0.262 0.01 . 1 . . . . . 241 ILE HG22 . 34004 1 715 . 1 1 61 61 ILE HG23 H 1 -0.262 0.01 . 1 . . . . . 241 ILE HG23 . 34004 1 716 . 1 1 61 61 ILE HD11 H 1 0.683 0.01 . 1 . . . . . 241 ILE HD11 . 34004 1 717 . 1 1 61 61 ILE HD12 H 1 0.683 0.01 . 1 . . . . . 241 ILE HD12 . 34004 1 718 . 1 1 61 61 ILE HD13 H 1 0.683 0.01 . 1 . . . . . 241 ILE HD13 . 34004 1 719 . 1 1 61 61 ILE C C 13 176.620 0.10 . 1 . . . . . 241 ILE C . 34004 1 720 . 1 1 61 61 ILE CA C 13 65.970 0.10 . 1 . . . . . 241 ILE CA . 34004 1 721 . 1 1 61 61 ILE CB C 13 38.280 0.10 . 1 . . . . . 241 ILE CB . 34004 1 722 . 1 1 61 61 ILE CG2 C 13 15.720 0.10 . 1 . . . . . 241 ILE CG2 . 34004 1 723 . 1 1 61 61 ILE CD1 C 13 14.840 0.10 . 1 . . . . . 241 ILE CD1 . 34004 1 724 . 1 1 61 61 ILE N N 15 117.550 0.10 . 1 . . . . . 241 ILE N . 34004 1 725 . 1 1 62 62 ARG H H 1 7.958 0.01 . 1 . . . . . 242 ARG H . 34004 1 726 . 1 1 62 62 ARG HA H 1 3.560 0.01 . 1 . . . . . 242 ARG HA . 34004 1 727 . 1 1 62 62 ARG HB2 H 1 1.679 0.01 . 2 . . . . . 242 ARG HB2 . 34004 1 728 . 1 1 62 62 ARG HB3 H 1 1.679 0.01 . 2 . . . . . 242 ARG HB3 . 34004 1 729 . 1 1 62 62 ARG HG2 H 1 1.675 0.01 . 2 . . . . . 242 ARG HG2 . 34004 1 730 . 1 1 62 62 ARG HG3 H 1 1.675 0.01 . 2 . . . . . 242 ARG HG3 . 34004 1 731 . 1 1 62 62 ARG HD2 H 1 3.106 0.01 . 2 . . . . . 242 ARG HD2 . 34004 1 732 . 1 1 62 62 ARG HD3 H 1 3.106 0.01 . 2 . . . . . 242 ARG HD3 . 34004 1 733 . 1 1 62 62 ARG HE H 1 7.337 0.01 . 1 . . . . . 242 ARG HE . 34004 1 734 . 1 1 62 62 ARG C C 13 177.840 0.10 . 1 . . . . . 242 ARG C . 34004 1 735 . 1 1 62 62 ARG CA C 13 60.830 0.10 . 1 . . . . . 242 ARG CA . 34004 1 736 . 1 1 62 62 ARG CB C 13 29.460 0.10 . 1 . . . . . 242 ARG CB . 34004 1 737 . 1 1 62 62 ARG N N 15 116.540 0.10 . 1 . . . . . 242 ARG N . 34004 1 738 . 1 1 63 63 GLN H H 1 8.251 0.01 . 1 . . . . . 243 GLN H . 34004 1 739 . 1 1 63 63 GLN HA H 1 3.948 0.01 . 1 . . . . . 243 GLN HA . 34004 1 740 . 1 1 63 63 GLN HB2 H 1 2.087 0.01 . 2 . . . . . 243 GLN HB2 . 34004 1 741 . 1 1 63 63 GLN HB3 H 1 2.087 0.01 . 2 . . . . . 243 GLN HB3 . 34004 1 742 . 1 1 63 63 GLN HG2 H 1 2.436 0.01 . 2 . . . . . 243 GLN HG2 . 34004 1 743 . 1 1 63 63 GLN HG3 H 1 2.276 0.01 . 2 . . . . . 243 GLN HG3 . 34004 1 744 . 1 1 63 63 GLN HE21 H 1 6.725 0.01 . 1 . . . . . 243 GLN HE21 . 34004 1 745 . 1 1 63 63 GLN HE22 H 1 7.321 0.01 . 1 . . . . . 243 GLN HE22 . 34004 1 746 . 1 1 63 63 GLN C C 13 178.140 0.10 . 1 . . . . . 243 GLN C . 34004 1 747 . 1 1 63 63 GLN CA C 13 58.800 0.10 . 1 . . . . . 243 GLN CA . 34004 1 748 . 1 1 63 63 GLN CB C 13 28.480 0.10 . 1 . . . . . 243 GLN CB . 34004 1 749 . 1 1 63 63 GLN N N 15 117.210 0.10 . 1 . . . . . 243 GLN N . 34004 1 750 . 1 1 63 63 GLN NE2 N 15 111.580 0.10 . 1 . . . . . 243 GLN NE2 . 34004 1 751 . 1 1 64 64 GLN H H 1 7.673 0.01 . 1 . . . . . 244 GLN H . 34004 1 752 . 1 1 64 64 GLN HA H 1 4.026 0.01 . 1 . . . . . 244 GLN HA . 34004 1 753 . 1 1 64 64 GLN HB2 H 1 2.088 0.01 . 1 . . . . . 244 GLN HB2 . 34004 1 754 . 1 1 64 64 GLN HB3 H 1 1.859 0.01 . 1 . . . . . 244 GLN HB3 . 34004 1 755 . 1 1 64 64 GLN HG2 H 1 2.608 0.01 . 2 . . . . . 244 GLN HG2 . 34004 1 756 . 1 1 64 64 GLN HG3 H 1 2.272 0.01 . 2 . . . . . 244 GLN HG3 . 34004 1 757 . 1 1 64 64 GLN HE21 H 1 7.137 0.01 . 1 . . . . . 244 GLN HE21 . 34004 1 758 . 1 1 64 64 GLN HE22 H 1 7.187 0.01 . 1 . . . . . 244 GLN HE22 . 34004 1 759 . 1 1 64 64 GLN C C 13 177.990 0.10 . 1 . . . . . 244 GLN C . 34004 1 760 . 1 1 64 64 GLN CA C 13 59.050 0.10 . 1 . . . . . 244 GLN CA . 34004 1 761 . 1 1 64 64 GLN CB C 13 29.240 0.10 . 1 . . . . . 244 GLN CB . 34004 1 762 . 1 1 64 64 GLN N N 15 118.130 0.10 . 1 . . . . . 244 GLN N . 34004 1 763 . 1 1 65 65 ILE H H 1 8.109 0.01 . 1 . . . . . 245 ILE H . 34004 1 764 . 1 1 65 65 ILE HA H 1 3.896 0.01 . 1 . . . . . 245 ILE HA . 34004 1 765 . 1 1 65 65 ILE HB H 1 1.844 0.01 . 1 . . . . . 245 ILE HB . 34004 1 766 . 1 1 65 65 ILE HG12 H 1 1.309 0.01 . 2 . . . . . 245 ILE HG12 . 34004 1 767 . 1 1 65 65 ILE HG13 H 1 0.862 0.01 . 2 . . . . . 245 ILE HG13 . 34004 1 768 . 1 1 65 65 ILE HG21 H 1 0.710 0.01 . 1 . . . . . 245 ILE HG21 . 34004 1 769 . 1 1 65 65 ILE HG22 H 1 0.710 0.01 . 1 . . . . . 245 ILE HG22 . 34004 1 770 . 1 1 65 65 ILE HG23 H 1 0.710 0.01 . 1 . . . . . 245 ILE HG23 . 34004 1 771 . 1 1 65 65 ILE HD11 H 1 0.135 0.01 . 1 . . . . . 245 ILE HD11 . 34004 1 772 . 1 1 65 65 ILE HD12 H 1 0.135 0.01 . 1 . . . . . 245 ILE HD12 . 34004 1 773 . 1 1 65 65 ILE HD13 H 1 0.135 0.01 . 1 . . . . . 245 ILE HD13 . 34004 1 774 . 1 1 65 65 ILE C C 13 177.440 0.10 . 1 . . . . . 245 ILE C . 34004 1 775 . 1 1 65 65 ILE CA C 13 64.990 0.10 . 1 . . . . . 245 ILE CA . 34004 1 776 . 1 1 65 65 ILE CB C 13 38.130 0.10 . 1 . . . . . 245 ILE CB . 34004 1 777 . 1 1 65 65 ILE CG2 C 13 17.190 0.10 . 1 . . . . . 245 ILE CG2 . 34004 1 778 . 1 1 65 65 ILE CD1 C 13 13.620 0.10 . 1 . . . . . 245 ILE CD1 . 34004 1 779 . 1 1 65 65 ILE N N 15 117.410 0.10 . 1 . . . . . 245 ILE N . 34004 1 780 . 1 1 66 66 GLU H H 1 7.806 0.01 . 1 . . . . . 246 GLU H . 34004 1 781 . 1 1 66 66 GLU HA H 1 4.016 0.01 . 1 . . . . . 246 GLU HA . 34004 1 782 . 1 1 66 66 GLU HB2 H 1 2.004 0.01 . 2 . . . . . 246 GLU HB2 . 34004 1 783 . 1 1 66 66 GLU HB3 H 1 2.004 0.01 . 2 . . . . . 246 GLU HB3 . 34004 1 784 . 1 1 66 66 GLU HG2 H 1 2.232 0.01 . 2 . . . . . 246 GLU HG2 . 34004 1 785 . 1 1 66 66 GLU HG3 H 1 2.330 0.01 . 2 . . . . . 246 GLU HG3 . 34004 1 786 . 1 1 66 66 GLU C C 13 176.760 0.10 . 1 . . . . . 246 GLU C . 34004 1 787 . 1 1 66 66 GLU CA C 13 58.370 0.10 . 1 . . . . . 246 GLU CA . 34004 1 788 . 1 1 66 66 GLU CB C 13 29.410 0.10 . 1 . . . . . 246 GLU CB . 34004 1 789 . 1 1 66 66 GLU N N 15 119.110 0.10 . 1 . . . . . 246 GLU N . 34004 1 790 . 1 1 67 67 SER H H 1 7.596 0.01 . 1 . . . . . 247 SER H . 34004 1 791 . 1 1 67 67 SER HA H 1 4.351 0.01 . 1 . . . . . 247 SER HA . 34004 1 792 . 1 1 67 67 SER HB2 H 1 3.818 0.01 . 2 . . . . . 247 SER HB2 . 34004 1 793 . 1 1 67 67 SER HB3 H 1 3.842 0.01 . 2 . . . . . 247 SER HB3 . 34004 1 794 . 1 1 67 67 SER C C 13 173.010 0.10 . 1 . . . . . 247 SER C . 34004 1 795 . 1 1 67 67 SER CA C 13 58.670 0.10 . 1 . . . . . 247 SER CA . 34004 1 796 . 1 1 67 67 SER CB C 13 63.850 0.10 . 1 . . . . . 247 SER CB . 34004 1 797 . 1 1 67 67 SER N N 15 111.570 0.10 . 1 . . . . . 247 SER N . 34004 1 798 . 1 1 68 68 TYR H H 1 7.527 0.01 . 1 . . . . . 248 TYR H . 34004 1 799 . 1 1 68 68 TYR HA H 1 4.607 0.01 . 1 . . . . . 248 TYR HA . 34004 1 800 . 1 1 68 68 TYR HB2 H 1 2.956 0.01 . 1 . . . . . 248 TYR HB2 . 34004 1 801 . 1 1 68 68 TYR HB3 H 1 3.097 0.01 . 1 . . . . . 248 TYR HB3 . 34004 1 802 . 1 1 68 68 TYR HD1 H 1 7.100 0.01 . 3 . . . . . 248 TYR HD1 . 34004 1 803 . 1 1 68 68 TYR HD2 H 1 7.100 0.01 . 3 . . . . . 248 TYR HD2 . 34004 1 804 . 1 1 68 68 TYR HE1 H 1 6.744 0.01 . 3 . . . . . 248 TYR HE1 . 34004 1 805 . 1 1 68 68 TYR HE2 H 1 6.744 0.01 . 3 . . . . . 248 TYR HE2 . 34004 1 806 . 1 1 68 68 TYR C C 13 173.320 0.10 . 1 . . . . . 248 TYR C . 34004 1 807 . 1 1 68 68 TYR CA C 13 57.600 0.10 . 1 . . . . . 248 TYR CA . 34004 1 808 . 1 1 68 68 TYR CB C 13 38.390 0.10 . 1 . . . . . 248 TYR CB . 34004 1 809 . 1 1 68 68 TYR N N 15 125.450 0.10 . 1 . . . . . 248 TYR N . 34004 1 810 . 1 1 69 69 PRO HA H 1 4.386 0.01 . 1 . . . . . 249 PRO HA . 34004 1 811 . 1 1 69 69 PRO HB2 H 1 1.815 0.01 . 2 . . . . . 249 PRO HB2 . 34004 1 812 . 1 1 69 69 PRO HB3 H 1 2.095 0.01 . 2 . . . . . 249 PRO HB3 . 34004 1 813 . 1 1 69 69 PRO HG2 H 1 1.814 0.01 . 2 . . . . . 249 PRO HG2 . 34004 1 814 . 1 1 69 69 PRO HG3 H 1 1.814 0.01 . 2 . . . . . 249 PRO HG3 . 34004 1 815 . 1 1 69 69 PRO HD2 H 1 3.681 0.01 . 1 . . . . . 249 PRO HD2 . 34004 1 816 . 1 1 69 69 PRO HD3 H 1 2.909 0.01 . 1 . . . . . 249 PRO HD3 . 34004 1 817 . 1 1 69 69 PRO C C 13 176.100 0.10 . 1 . . . . . 249 PRO C . 34004 1 818 . 1 1 69 69 PRO CA C 13 63.230 0.10 . 1 . . . . . 249 PRO CA . 34004 1 819 . 1 1 69 69 PRO CB C 13 31.340 0.10 . 1 . . . . . 249 PRO CB . 34004 1 820 . 1 1 69 69 PRO CD C 13 50.400 0.10 . 1 . . . . . 249 PRO CD . 34004 1 821 . 1 1 70 70 THR H H 1 8.120 0.01 . 1 . . . . . 250 THR H . 34004 1 822 . 1 1 70 70 THR HA H 1 4.253 0.01 . 1 . . . . . 250 THR HA . 34004 1 823 . 1 1 70 70 THR HB H 1 4.241 0.01 . 1 . . . . . 250 THR HB . 34004 1 824 . 1 1 70 70 THR HG21 H 1 1.207 0.01 . 1 . . . . . 250 THR HG21 . 34004 1 825 . 1 1 70 70 THR HG22 H 1 1.207 0.01 . 1 . . . . . 250 THR HG22 . 34004 1 826 . 1 1 70 70 THR HG23 H 1 1.207 0.01 . 1 . . . . . 250 THR HG23 . 34004 1 827 . 1 1 70 70 THR C C 13 173.990 0.10 . 1 . . . . . 250 THR C . 34004 1 828 . 1 1 70 70 THR CA C 13 61.810 0.10 . 1 . . . . . 250 THR CA . 34004 1 829 . 1 1 70 70 THR CB C 13 69.690 0.10 . 1 . . . . . 250 THR CB . 34004 1 830 . 1 1 70 70 THR CG2 C 13 21.590 0.10 . 1 . . . . . 250 THR CG2 . 34004 1 831 . 1 1 70 70 THR N N 15 113.830 0.10 . 1 . . . . . 250 THR N . 34004 1 832 . 1 1 71 71 ASP H H 1 8.288 0.01 . 1 . . . . . 251 ASP H . 34004 1 833 . 1 1 71 71 ASP HA H 1 4.540 0.01 . 1 . . . . . 251 ASP HA . 34004 1 834 . 1 1 71 71 ASP HB2 H 1 2.559 0.01 . 2 . . . . . 251 ASP HB2 . 34004 1 835 . 1 1 71 71 ASP HB3 H 1 2.612 0.01 . 2 . . . . . 251 ASP HB3 . 34004 1 836 . 1 1 71 71 ASP C C 13 175.590 0.10 . 1 . . . . . 251 ASP C . 34004 1 837 . 1 1 71 71 ASP CA C 13 54.410 0.10 . 1 . . . . . 251 ASP CA . 34004 1 838 . 1 1 71 71 ASP CB C 13 40.970 0.10 . 1 . . . . . 251 ASP CB . 34004 1 839 . 1 1 71 71 ASP N N 15 121.790 0.10 . 1 . . . . . 251 ASP N . 34004 1 840 . 1 1 72 72 SER H H 1 8.142 0.01 . 1 . . . . . 252 SER H . 34004 1 841 . 1 1 72 72 SER HA H 1 4.333 0.01 . 1 . . . . . 252 SER HA . 34004 1 842 . 1 1 72 72 SER HB2 H 1 3.726 0.01 . 2 . . . . . 252 SER HB2 . 34004 1 843 . 1 1 72 72 SER HB3 H 1 3.726 0.01 . 2 . . . . . 252 SER HB3 . 34004 1 844 . 1 1 72 72 SER C C 13 173.560 0.10 . 1 . . . . . 252 SER C . 34004 1 845 . 1 1 72 72 SER CA C 13 58.410 0.10 . 1 . . . . . 252 SER CA . 34004 1 846 . 1 1 72 72 SER CB C 13 63.720 0.10 . 1 . . . . . 252 SER CB . 34004 1 847 . 1 1 72 72 SER N N 15 115.790 0.10 . 1 . . . . . 252 SER N . 34004 1 848 . 1 1 73 73 ILE H H 1 8.026 0.01 . 1 . . . . . 253 ILE H . 34004 1 849 . 1 1 73 73 ILE HA H 1 4.091 0.01 . 1 . . . . . 253 ILE HA . 34004 1 850 . 1 1 73 73 ILE HB H 1 1.812 0.01 . 1 . . . . . 253 ILE HB . 34004 1 851 . 1 1 73 73 ILE HG12 H 1 1.377 0.01 . 2 . . . . . 253 ILE HG12 . 34004 1 852 . 1 1 73 73 ILE HG13 H 1 1.102 0.01 . 2 . . . . . 253 ILE HG13 . 34004 1 853 . 1 1 73 73 ILE HG21 H 1 0.804 0.01 . 1 . . . . . 253 ILE HG21 . 34004 1 854 . 1 1 73 73 ILE HG22 H 1 0.804 0.01 . 1 . . . . . 253 ILE HG22 . 34004 1 855 . 1 1 73 73 ILE HG23 H 1 0.804 0.01 . 1 . . . . . 253 ILE HG23 . 34004 1 856 . 1 1 73 73 ILE HD11 H 1 0.782 0.01 . 1 . . . . . 253 ILE HD11 . 34004 1 857 . 1 1 73 73 ILE HD12 H 1 0.782 0.01 . 1 . . . . . 253 ILE HD12 . 34004 1 858 . 1 1 73 73 ILE HD13 H 1 0.782 0.01 . 1 . . . . . 253 ILE HD13 . 34004 1 859 . 1 1 73 73 ILE C C 13 175.390 0.10 . 1 . . . . . 253 ILE C . 34004 1 860 . 1 1 73 73 ILE CA C 13 61.210 0.10 . 1 . . . . . 253 ILE CA . 34004 1 861 . 1 1 73 73 ILE CB C 13 38.420 0.10 . 1 . . . . . 253 ILE CB . 34004 1 862 . 1 1 73 73 ILE CG2 C 13 17.340 0.10 . 1 . . . . . 253 ILE CG2 . 34004 1 863 . 1 1 73 73 ILE CD1 C 13 12.770 0.10 . 1 . . . . . 253 ILE CD1 . 34004 1 864 . 1 1 73 73 ILE N N 15 122.240 0.10 . 1 . . . . . 253 ILE N . 34004 1 865 . 1 1 74 74 LEU H H 1 8.214 0.01 . 1 . . . . . 254 LEU H . 34004 1 866 . 1 1 74 74 LEU HA H 1 4.278 0.01 . 1 . . . . . 254 LEU HA . 34004 1 867 . 1 1 74 74 LEU HB2 H 1 1.546 0.01 . 2 . . . . . 254 LEU HB2 . 34004 1 868 . 1 1 74 74 LEU HB3 H 1 1.491 0.01 . 2 . . . . . 254 LEU HB3 . 34004 1 869 . 1 1 74 74 LEU HG H 1 1.545 0.01 . 1 . . . . . 254 LEU HG . 34004 1 870 . 1 1 74 74 LEU HD11 H 1 0.835 0.01 . 2 . . . . . 254 LEU HD11 . 34004 1 871 . 1 1 74 74 LEU HD12 H 1 0.835 0.01 . 2 . . . . . 254 LEU HD12 . 34004 1 872 . 1 1 74 74 LEU HD13 H 1 0.835 0.01 . 2 . . . . . 254 LEU HD13 . 34004 1 873 . 1 1 74 74 LEU HD21 H 1 0.776 0.01 . 2 . . . . . 254 LEU HD21 . 34004 1 874 . 1 1 74 74 LEU HD22 H 1 0.776 0.01 . 2 . . . . . 254 LEU HD22 . 34004 1 875 . 1 1 74 74 LEU HD23 H 1 0.776 0.01 . 2 . . . . . 254 LEU HD23 . 34004 1 876 . 1 1 74 74 LEU C C 13 176.510 0.10 . 1 . . . . . 254 LEU C . 34004 1 877 . 1 1 74 74 LEU CA C 13 54.900 0.10 . 1 . . . . . 254 LEU CA . 34004 1 878 . 1 1 74 74 LEU CB C 13 42.110 0.10 . 1 . . . . . 254 LEU CB . 34004 1 879 . 1 1 74 74 LEU N N 15 126.050 0.10 . 1 . . . . . 254 LEU N . 34004 1 880 . 1 1 75 75 GLU H H 1 8.313 0.01 . 1 . . . . . 255 GLU H . 34004 1 881 . 1 1 75 75 GLU HA H 1 4.177 0.01 . 1 . . . . . 255 GLU HA . 34004 1 882 . 1 1 75 75 GLU HB2 H 1 1.841 0.01 . 2 . . . . . 255 GLU HB2 . 34004 1 883 . 1 1 75 75 GLU HB3 H 1 1.943 0.01 . 2 . . . . . 255 GLU HB3 . 34004 1 884 . 1 1 75 75 GLU HG2 H 1 2.146 0.01 . 2 . . . . . 255 GLU HG2 . 34004 1 885 . 1 1 75 75 GLU HG3 H 1 2.181 0.01 . 2 . . . . . 255 GLU HG3 . 34004 1 886 . 1 1 75 75 GLU C C 13 175.380 0.10 . 1 . . . . . 255 GLU C . 34004 1 887 . 1 1 75 75 GLU CA C 13 56.460 0.10 . 1 . . . . . 255 GLU CA . 34004 1 888 . 1 1 75 75 GLU CB C 13 30.330 0.10 . 1 . . . . . 255 GLU CB . 34004 1 889 . 1 1 75 75 GLU N N 15 121.850 0.10 . 1 . . . . . 255 GLU N . 34004 1 890 . 1 1 76 76 ASP H H 1 8.320 0.01 . 1 . . . . . 256 ASP H . 34004 1 891 . 1 1 76 76 ASP HA H 1 4.486 0.01 . 1 . . . . . 256 ASP HA . 34004 1 892 . 1 1 76 76 ASP HB2 H 1 2.545 0.01 . 2 . . . . . 256 ASP HB2 . 34004 1 893 . 1 1 76 76 ASP HB3 H 1 2.625 0.01 . 2 . . . . . 256 ASP HB3 . 34004 1 894 . 1 1 76 76 ASP C C 13 175.370 0.10 . 1 . . . . . 256 ASP C . 34004 1 895 . 1 1 76 76 ASP CA C 13 54.400 0.10 . 1 . . . . . 256 ASP CA . 34004 1 896 . 1 1 76 76 ASP CB C 13 41.000 0.10 . 1 . . . . . 256 ASP CB . 34004 1 897 . 1 1 76 76 ASP N N 15 121.260 0.10 . 1 . . . . . 256 ASP N . 34004 1 898 . 1 1 77 77 GLN H H 1 8.294 0.01 . 1 . . . . . 257 GLN H . 34004 1 899 . 1 1 77 77 GLN HA H 1 4.327 0.01 . 1 . . . . . 257 GLN HA . 34004 1 900 . 1 1 77 77 GLN HB2 H 1 2.129 0.01 . 2 . . . . . 257 GLN HB2 . 34004 1 901 . 1 1 77 77 GLN HB3 H 1 1.874 0.01 . 2 . . . . . 257 GLN HB3 . 34004 1 902 . 1 1 77 77 GLN HG2 H 1 2.281 0.01 . 2 . . . . . 257 GLN HG2 . 34004 1 903 . 1 1 77 77 GLN HG3 H 1 2.281 0.01 . 2 . . . . . 257 GLN HG3 . 34004 1 904 . 1 1 77 77 GLN HE21 H 1 6.883 0.01 . 1 . . . . . 257 GLN HE21 . 34004 1 905 . 1 1 77 77 GLN HE22 H 1 7.425 0.01 . 1 . . . . . 257 GLN HE22 . 34004 1 906 . 1 1 77 77 GLN C C 13 174.520 0.10 . 1 . . . . . 257 GLN C . 34004 1 907 . 1 1 77 77 GLN CA C 13 55.500 0.10 . 1 . . . . . 257 GLN CA . 34004 1 908 . 1 1 77 77 GLN CB C 13 29.360 0.10 . 1 . . . . . 257 GLN CB . 34004 1 909 . 1 1 77 77 GLN N N 15 121.200 0.10 . 1 . . . . . 257 GLN N . 34004 1 910 . 1 1 77 77 GLN NE2 N 15 112.950 0.10 . 1 . . . . . 257 GLN NE2 . 34004 1 911 . 1 1 78 78 SER H H 1 8.011 0.01 . 1 . . . . . 258 SER H . 34004 1 912 . 1 1 78 78 SER HA H 1 4.143 0.01 . 1 . . . . . 258 SER HA . 34004 1 913 . 1 1 78 78 SER HB2 H 1 3.769 0.01 . 2 . . . . . 258 SER HB2 . 34004 1 914 . 1 1 78 78 SER HB3 H 1 3.769 0.01 . 2 . . . . . 258 SER HB3 . 34004 1 915 . 1 1 78 78 SER C C 13 177.920 0.10 . 1 . . . . . 258 SER C . 34004 1 916 . 1 1 78 78 SER CA C 13 60.150 0.10 . 1 . . . . . 258 SER CA . 34004 1 917 . 1 1 78 78 SER CB C 13 64.660 0.10 . 1 . . . . . 258 SER CB . 34004 1 918 . 1 1 78 78 SER N N 15 122.900 0.10 . 1 . . . . . 258 SER N . 34004 1 stop_ save_