data_25806 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25806 _Entry.Title ; NMR structure of the prolactin receptor transmembrane domain ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2015-09-11 _Entry.Accession_date 2015-09-11 _Entry.Last_release_date 2016-05-23 _Entry.Original_release_date 2016-05-23 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _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 Katrine Bugge . . . . 25806 2 Birthe Kragelund . B. . . 25806 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 25806 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID helix . 25806 'membrane protein' . 25806 nmr . 25806 'prolactin receptor' . 25806 'transmembrane domain' . 25806 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25806 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 161 25806 '15N chemical shifts' 37 25806 '1H chemical shifts' 242 25806 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2016-05-23 . original BMRB . 25806 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2N7I 'BMRB Entry Tracking System' 25806 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 25806 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 27174498 _Citation.Full_citation . _Citation.Title ; A combined computational and structural model of the full-length human prolactin receptor ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nat. Commun.' _Citation.Journal_name_full . _Citation.Journal_volume 7 _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 11578 _Citation.Page_last 11578 _Citation.Year 2016 _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 Katrine Bugge . . . . 25806 1 2 Elena Papaleo . . . . 25806 1 3 Gitte Haxholm . W. . . 25806 1 4 Jonathan Hopper . TS . . 25806 1 5 Robert Dagil . . . . 25806 1 6 Carol Robinson . V. . . 25806 1 7 Johan Olsen . G. . . 25806 1 8 Kresten Lindorff-Larsen . . . . 25806 1 9 Birthe Kragelund . B. . . 25806 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25806 _Assembly.ID 1 _Assembly.Name 'prolactin receptor transmembrane domain' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _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 'prolactin receptor transmembrane domain' 1 $PRLRTMD A . yes native no no . . . 25806 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_PRLRTMD _Entity.Sf_category entity _Entity.Sf_framecode PRLRTMD _Entity.Entry_ID 25806 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name PRLRTMD _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 ; GSFTMNDTTVWISVAVLSAV ICLIIVWAVALKGYSMV ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details ; Residues 204-205 represent non-native residues left over from thrombin digestion. This is the transmembrane domain of a receptor ; _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 37 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state . _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment 'Transmembrane domain' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 3960.773 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 205 GLY . 25806 1 2 206 SER . 25806 1 3 207 PHE . 25806 1 4 208 THR . 25806 1 5 209 MET . 25806 1 6 210 ASN . 25806 1 7 211 ASP . 25806 1 8 212 THR . 25806 1 9 213 THR . 25806 1 10 214 VAL . 25806 1 11 215 TRP . 25806 1 12 216 ILE . 25806 1 13 217 SER . 25806 1 14 218 VAL . 25806 1 15 219 ALA . 25806 1 16 220 VAL . 25806 1 17 221 LEU . 25806 1 18 222 SER . 25806 1 19 223 ALA . 25806 1 20 224 VAL . 25806 1 21 225 ILE . 25806 1 22 226 CYS . 25806 1 23 227 LEU . 25806 1 24 228 ILE . 25806 1 25 229 ILE . 25806 1 26 230 VAL . 25806 1 27 231 TRP . 25806 1 28 232 ALA . 25806 1 29 233 VAL . 25806 1 30 234 ALA . 25806 1 31 235 LEU . 25806 1 32 236 LYS . 25806 1 33 237 GLY . 25806 1 34 238 TYR . 25806 1 35 239 SER . 25806 1 36 240 MET . 25806 1 37 241 VAL . 25806 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 25806 1 . SER 2 2 25806 1 . PHE 3 3 25806 1 . THR 4 4 25806 1 . MET 5 5 25806 1 . ASN 6 6 25806 1 . ASP 7 7 25806 1 . THR 8 8 25806 1 . THR 9 9 25806 1 . VAL 10 10 25806 1 . TRP 11 11 25806 1 . ILE 12 12 25806 1 . SER 13 13 25806 1 . VAL 14 14 25806 1 . ALA 15 15 25806 1 . VAL 16 16 25806 1 . LEU 17 17 25806 1 . SER 18 18 25806 1 . ALA 19 19 25806 1 . VAL 20 20 25806 1 . ILE 21 21 25806 1 . CYS 22 22 25806 1 . LEU 23 23 25806 1 . ILE 24 24 25806 1 . ILE 25 25 25806 1 . VAL 26 26 25806 1 . TRP 27 27 25806 1 . ALA 28 28 25806 1 . VAL 29 29 25806 1 . ALA 30 30 25806 1 . LEU 31 31 25806 1 . LYS 32 32 25806 1 . GLY 33 33 25806 1 . TYR 34 34 25806 1 . SER 35 35 25806 1 . MET 36 36 25806 1 . VAL 37 37 25806 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 25806 _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 $PRLRTMD . 9606 organism . 'Homo sapiens' human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 25806 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 25806 _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 $PRLRTMD . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) . . . . . 'pGEX 4T-1' . . . 25806 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 25806 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'DHPC micelles' _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 PRLRTMD '[U-13C; U-15N]' . . 1 $PRLRTMD . . 0.8 . . mM . . . . 25806 1 2 DSS 'natural abundance' . . . . . . 2 . . mM . . . . 25806 1 3 'sodium azide' 'natural abundance' . . . . . . 0.05 . . % . . . . 25806 1 4 DHPC 'natural abundance' . . . . . . 560 . . mM . . . . 25806 1 5 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 25806 1 6 TCEP 'natural abundance' . . . . . . 4 . . mM . . . . 25806 1 7 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 25806 1 8 H2O 'natural abundance' . . . . . . 90 . . % . . . . 25806 1 9 D2O 'natural abundance' . . . . . . 10 . . % . . . . 25806 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 25806 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'DHPC micelles' _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 PRLRTMD '[U-13C; U-15N]' . . 1 $PRLRTMD . . 1 . . mM . . . . 25806 2 2 DSS 'natural abundance' . . . . . . 2 . . mM . . . . 25806 2 3 'sodium azide' 'natural abundance' . . . . . . 0.05 . . % . . . . 25806 2 4 DHPC [U-2H] . . . . . . 700 . . mM . . . . 25806 2 5 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 25806 2 6 TCEP 'natural abundance' . . . . . . 4 . . mM . . . . 25806 2 7 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 25806 2 8 H2O 'natural abundance' . . . . . . 90 . . % . . . . 25806 2 9 D2O 'natural abundance' . . . . . . 10 . . % . . . . 25806 2 stop_ save_ save_sample15N _Sample.Sf_category sample _Sample.Sf_framecode sample15N _Sample.Entry_ID 25806 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _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 PRLRTMD [U-15N] . . 1 $PRLRTMD . . 0.7 . . mM . . . . 25806 3 2 DSS 'natural abundance' . . . . . . 2 . . mM . . . . 25806 3 3 'sodium azide' 'natural abundance' . . . . . . 0.05 . . % . . . . 25806 3 4 DHPC 'natural abundance' . . . . . . 490 . . mM . . . . 25806 3 5 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 25806 3 6 TCEP 'natural abundance' . . . . . . 4 . . mM . . . . 25806 3 7 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 25806 3 8 H2O 'natural abundance' . . . . . . 90 . . % . . . . 25806 3 9 D2O 'natural abundance' . . . . . . 10 . . % . . . . 25806 3 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 25806 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 50 . mM 25806 1 pH 7.2 . pH 25806 1 pressure 1 . atm 25806 1 temperature 273 . K 25806 1 stop_ save_ ############################ # Computer software used # ############################ save_ARIA _Software.Sf_category software _Software.Sf_framecode ARIA _Software.Entry_ID 25806 _Software.ID 1 _Software.Name ARIA _Software.Version 2.3.2 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID "Linge, O'Donoghue and Nilges" . . 25806 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 25806 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 25806 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 25806 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 25806 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 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 25806 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian INOVA . 800 . . . 25806 1 2 spectrometer_2 Varian INOVA . 750 . . . 25806 1 3 spectrometer_3 Bruker Avance . 900 . . . 25806 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 25806 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25806 1 2 '3D HNHA' no . . . . . . . . . . 3 $sample15N isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25806 1 3 '2D 1H-15N HSQC' no . . . . . . . . . . 3 $sample15N isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25806 1 4 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 25806 1 5 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 25806 1 6 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 25806 1 7 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 25806 1 8 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 25806 1 9 '3D 1H-15N NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 25806 1 10 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25806 1 11 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 25806 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 25806 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 25806 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 25806 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 25806 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 25806 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 2 '3D HNHA' . . . 25806 1 6 '3D HNCO' . . . 25806 1 7 '3D HNCACB' . . . 25806 1 8 '3D CBCA(CO)NH' . . . 25806 1 9 '3D 1H-15N NOESY' . . . 25806 1 10 '2D 1H-13C HSQC aliphatic' . . . 25806 1 11 '2D 1H-13C HSQC aromatic' . . . 25806 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 SER CA C 13 58.498 . . . . . . A 205 SER CA . 25806 1 2 . 1 1 2 2 SER CB C 13 64.088 . . . . . . A 205 SER CB . 25806 1 3 . 1 1 3 3 PHE H H 1 8.414 . . . . . . A 206 PHE H . 25806 1 4 . 1 1 3 3 PHE HA H 1 4.787 . . . . . . A 206 PHE HA . 25806 1 5 . 1 1 3 3 PHE HB2 H 1 3.178 . . . . . . A 206 PHE HB2 . 25806 1 6 . 1 1 3 3 PHE HB3 H 1 3.073 . . . . . . A 206 PHE HB3 . 25806 1 7 . 1 1 3 3 PHE HD1 H 1 7.273 . . . . . . A 206 PHE HD1 . 25806 1 8 . 1 1 3 3 PHE HD2 H 1 7.273 . . . . . . A 206 PHE HD2 . 25806 1 9 . 1 1 3 3 PHE C C 13 175.282 . . . . . . A 206 PHE C . 25806 1 10 . 1 1 3 3 PHE CA C 13 57.711 . . . . . . A 206 PHE CA . 25806 1 11 . 1 1 3 3 PHE CB C 13 40.139 . . . . . . A 206 PHE CB . 25806 1 12 . 1 1 3 3 PHE CD1 C 13 132.082 . . . . . . A 206 PHE CD1 . 25806 1 13 . 1 1 3 3 PHE CD2 C 13 132.082 . . . . . . A 206 PHE CD2 . 25806 1 14 . 1 1 3 3 PHE N N 15 121.596 . . . . . . A 206 PHE N . 25806 1 15 . 1 1 4 4 THR H H 1 8.233 . . . . . . A 207 THR H . 25806 1 16 . 1 1 4 4 THR HA H 1 4.442 . . . . . . A 207 THR HA . 25806 1 17 . 1 1 4 4 THR HB H 1 4.246 . . . . . . A 207 THR HB . 25806 1 18 . 1 1 4 4 THR HG21 H 1 1.215 . . . . . . A 207 THR HG21 . 25806 1 19 . 1 1 4 4 THR HG22 H 1 1.215 . . . . . . A 207 THR HG22 . 25806 1 20 . 1 1 4 4 THR HG23 H 1 1.215 . . . . . . A 207 THR HG23 . 25806 1 21 . 1 1 4 4 THR C C 13 174.188 . . . . . . A 207 THR C . 25806 1 22 . 1 1 4 4 THR CA C 13 61.309 . . . . . . A 207 THR CA . 25806 1 23 . 1 1 4 4 THR CB C 13 70.503 . . . . . . A 207 THR CB . 25806 1 24 . 1 1 4 4 THR CG2 C 13 21.623 . . . . . . A 207 THR CG2 . 25806 1 25 . 1 1 4 4 THR N N 15 116.011 . . . . . . A 207 THR N . 25806 1 26 . 1 1 5 5 MET H H 1 8.474 . . . . . . A 208 MET H . 25806 1 27 . 1 1 5 5 MET HA H 1 4.475 . . . . . . A 208 MET HA . 25806 1 28 . 1 1 5 5 MET HB2 H 1 2.118 . . . . . . A 208 MET HB2 . 25806 1 29 . 1 1 5 5 MET HB3 H 1 2.041 . . . . . . A 208 MET HB3 . 25806 1 30 . 1 1 5 5 MET HG2 H 1 2.549 . . . . . . A 208 MET HG2 . 25806 1 31 . 1 1 5 5 MET HG3 H 1 2.573 . . . . . . A 208 MET HG3 . 25806 1 32 . 1 1 5 5 MET C C 13 175.595 . . . . . . A 208 MET C . 25806 1 33 . 1 1 5 5 MET CA C 13 55.865 . . . . . . A 208 MET CA . 25806 1 34 . 1 1 5 5 MET CB C 13 32.987 . . . . . . A 208 MET CB . 25806 1 35 . 1 1 5 5 MET CG C 13 32.598 . . . . . . A 208 MET CG . 25806 1 36 . 1 1 5 5 MET N N 15 121.915 . . . . . . A 208 MET N . 25806 1 37 . 1 1 6 6 ASN H H 1 8.274 . . . . . . A 209 ASN H . 25806 1 38 . 1 1 6 6 ASN HA H 1 4.773 . . . . . . A 209 ASN HA . 25806 1 39 . 1 1 6 6 ASN HB2 H 1 2.938 . . . . . . A 209 ASN HB2 . 25806 1 40 . 1 1 6 6 ASN C C 13 175.125 . . . . . . A 209 ASN C . 25806 1 41 . 1 1 6 6 ASN CA C 13 53.389 . . . . . . A 209 ASN CA . 25806 1 42 . 1 1 6 6 ASN CB C 13 39.165 . . . . . . A 209 ASN CB . 25806 1 43 . 1 1 6 6 ASN N N 15 119.024 . . . . . . A 209 ASN N . 25806 1 44 . 1 1 7 7 ASP H H 1 8.262 . . . . . . A 210 ASP H . 25806 1 45 . 1 1 7 7 ASP HA H 1 4.553 . . . . . . A 210 ASP HA . 25806 1 46 . 1 1 7 7 ASP HB2 H 1 2.773 . . . . . . A 210 ASP HB2 . 25806 1 47 . 1 1 7 7 ASP C C 13 177.325 . . . . . . A 210 ASP C . 25806 1 48 . 1 1 7 7 ASP CA C 13 56.169 . . . . . . A 210 ASP CA . 25806 1 49 . 1 1 7 7 ASP CB C 13 41.255 . . . . . . A 210 ASP CB . 25806 1 50 . 1 1 7 7 ASP N N 15 119.941 . . . . . . A 210 ASP N . 25806 1 51 . 1 1 8 8 THR H H 1 8.320 . . . . . . A 211 THR H . 25806 1 52 . 1 1 8 8 THR HA H 1 4.107 . . . . . . A 211 THR HA . 25806 1 53 . 1 1 8 8 THR HB H 1 4.302 . . . . . . A 211 THR HB . 25806 1 54 . 1 1 8 8 THR HG21 H 1 1.326 . . . . . . A 211 THR HG21 . 25806 1 55 . 1 1 8 8 THR HG22 H 1 1.326 . . . . . . A 211 THR HG22 . 25806 1 56 . 1 1 8 8 THR HG23 H 1 1.326 . . . . . . A 211 THR HG23 . 25806 1 57 . 1 1 8 8 THR C C 13 175.855 . . . . . . A 211 THR C . 25806 1 58 . 1 1 8 8 THR CA C 13 65.947 . . . . . . A 211 THR CA . 25806 1 59 . 1 1 8 8 THR CB C 13 68.808 . . . . . . A 211 THR CB . 25806 1 60 . 1 1 8 8 THR CG2 C 13 22.565 . . . . . . A 211 THR CG2 . 25806 1 61 . 1 1 8 8 THR N N 15 115.882 . . . . . . A 211 THR N . 25806 1 62 . 1 1 9 9 THR H H 1 8.216 . . . . . . A 212 THR H . 25806 1 63 . 1 1 9 9 THR HA H 1 4.004 . . . . . . A 212 THR HA . 25806 1 64 . 1 1 9 9 THR HB H 1 4.315 . . . . . . A 212 THR HB . 25806 1 65 . 1 1 9 9 THR HG21 H 1 1.300 . . . . . . A 212 THR HG21 . 25806 1 66 . 1 1 9 9 THR HG22 H 1 1.300 . . . . . . A 212 THR HG22 . 25806 1 67 . 1 1 9 9 THR HG23 H 1 1.300 . . . . . . A 212 THR HG23 . 25806 1 68 . 1 1 9 9 THR C C 13 177.310 . . . . . . A 212 THR C . 25806 1 69 . 1 1 9 9 THR CA C 13 66.199 . . . . . . A 212 THR CA . 25806 1 70 . 1 1 9 9 THR CB C 13 68.580 . . . . . . A 212 THR CB . 25806 1 71 . 1 1 9 9 THR CG2 C 13 22.597 . . . . . . A 212 THR CG2 . 25806 1 72 . 1 1 9 9 THR N N 15 115.754 . . . . . . A 212 THR N . 25806 1 73 . 1 1 10 10 VAL H H 1 8.090 . . . . . . A 213 VAL H . 25806 1 74 . 1 1 10 10 VAL HA H 1 3.654 . . . . . . A 213 VAL HA . 25806 1 75 . 1 1 10 10 VAL HB H 1 2.175 . . . . . . A 213 VAL HB . 25806 1 76 . 1 1 10 10 VAL HG11 H 1 0.696 . . . . . . A 213 VAL HG11 . 25806 1 77 . 1 1 10 10 VAL HG12 H 1 0.696 . . . . . . A 213 VAL HG12 . 25806 1 78 . 1 1 10 10 VAL HG13 H 1 0.696 . . . . . . A 213 VAL HG13 . 25806 1 79 . 1 1 10 10 VAL HG21 H 1 0.992 . . . . . . A 213 VAL HG21 . 25806 1 80 . 1 1 10 10 VAL HG22 H 1 0.992 . . . . . . A 213 VAL HG22 . 25806 1 81 . 1 1 10 10 VAL HG23 H 1 0.992 . . . . . . A 213 VAL HG23 . 25806 1 82 . 1 1 10 10 VAL C C 13 177.157 . . . . . . A 213 VAL C . 25806 1 83 . 1 1 10 10 VAL CA C 13 66.937 . . . . . . A 213 VAL CA . 25806 1 84 . 1 1 10 10 VAL CB C 13 31.552 . . . . . . A 213 VAL CB . 25806 1 85 . 1 1 10 10 VAL CG1 C 13 21.083 . . . . . . A 213 VAL CG1 . 25806 1 86 . 1 1 10 10 VAL CG2 C 13 22.983 . . . . . . A 213 VAL CG2 . 25806 1 87 . 1 1 10 10 VAL N N 15 123.471 . . . . . . A 213 VAL N . 25806 1 88 . 1 1 11 11 TRP H H 1 7.966 . . . . . . A 214 TRP H . 25806 1 89 . 1 1 11 11 TRP HA H 1 4.421 . . . . . . A 214 TRP HA . 25806 1 90 . 1 1 11 11 TRP HB2 H 1 3.379 . . . . . . A 214 TRP HB2 . 25806 1 91 . 1 1 11 11 TRP HD1 H 1 7.330 . . . . . . A 214 TRP HD1 . 25806 1 92 . 1 1 11 11 TRP HE1 H 1 10.352 . . . . . . A 214 TRP HE1 . 25806 1 93 . 1 1 11 11 TRP HE3 H 1 7.479 . . . . . . A 214 TRP HE3 . 25806 1 94 . 1 1 11 11 TRP HZ2 H 1 7.510 . . . . . . A 214 TRP HZ2 . 25806 1 95 . 1 1 11 11 TRP HZ3 H 1 6.948 . . . . . . A 214 TRP HZ3 . 25806 1 96 . 1 1 11 11 TRP HH2 H 1 7.121 . . . . . . A 214 TRP HH2 . 25806 1 97 . 1 1 11 11 TRP C C 13 178.622 . . . . . . A 214 TRP C . 25806 1 98 . 1 1 11 11 TRP CA C 13 60.857 . . . . . . A 214 TRP CA . 25806 1 99 . 1 1 11 11 TRP CB C 13 29.477 . . . . . . A 214 TRP CB . 25806 1 100 . 1 1 11 11 TRP CD1 C 13 127.456 . . . . . . A 214 TRP CD1 . 25806 1 101 . 1 1 11 11 TRP CE3 C 13 120.199 . . . . . . A 214 TRP CE3 . 25806 1 102 . 1 1 11 11 TRP CZ2 C 13 114.779 . . . . . . A 214 TRP CZ2 . 25806 1 103 . 1 1 11 11 TRP CZ3 C 13 121.204 . . . . . . A 214 TRP CZ3 . 25806 1 104 . 1 1 11 11 TRP CH2 C 13 124.039 . . . . . . A 214 TRP CH2 . 25806 1 105 . 1 1 11 11 TRP N N 15 119.814 . . . . . . A 214 TRP N . 25806 1 106 . 1 1 11 11 TRP NE1 N 15 129.156 . . . . . . A 214 TRP NE1 . 25806 1 107 . 1 1 12 12 ILE H H 1 8.388 . . . . . . A 215 ILE H . 25806 1 108 . 1 1 12 12 ILE HA H 1 3.735 . . . . . . A 215 ILE HA . 25806 1 109 . 1 1 12 12 ILE HB H 1 1.992 . . . . . . A 215 ILE HB . 25806 1 110 . 1 1 12 12 ILE HG12 H 1 1.078 . . . . . . A 215 ILE HG12 . 25806 1 111 . 1 1 12 12 ILE HG13 H 1 1.826 . . . . . . A 215 ILE HG13 . 25806 1 112 . 1 1 12 12 ILE HG21 H 1 0.931 . . . . . . A 215 ILE HG21 . 25806 1 113 . 1 1 12 12 ILE HG22 H 1 0.931 . . . . . . A 215 ILE HG22 . 25806 1 114 . 1 1 12 12 ILE HG23 H 1 0.931 . . . . . . A 215 ILE HG23 . 25806 1 115 . 1 1 12 12 ILE HD11 H 1 0.907 . . . . . . A 215 ILE HD11 . 25806 1 116 . 1 1 12 12 ILE HD12 H 1 0.907 . . . . . . A 215 ILE HD12 . 25806 1 117 . 1 1 12 12 ILE HD13 H 1 0.907 . . . . . . A 215 ILE HD13 . 25806 1 118 . 1 1 12 12 ILE C C 13 177.589 . . . . . . A 215 ILE C . 25806 1 119 . 1 1 12 12 ILE CA C 13 65.310 . . . . . . A 215 ILE CA . 25806 1 120 . 1 1 12 12 ILE CB C 13 37.811 . . . . . . A 215 ILE CB . 25806 1 121 . 1 1 12 12 ILE CG1 C 13 29.582 . . . . . . A 215 ILE CG1 . 25806 1 122 . 1 1 12 12 ILE CG2 C 13 18.186 . . . . . . A 215 ILE CG2 . 25806 1 123 . 1 1 12 12 ILE CD1 C 13 13.596 . . . . . . A 215 ILE CD1 . 25806 1 124 . 1 1 12 12 ILE N N 15 118.030 . . . . . . A 215 ILE N . 25806 1 125 . 1 1 13 13 SER H H 1 8.010 . . . . . . A 216 SER H . 25806 1 126 . 1 1 13 13 SER HA H 1 4.083 . . . . . . A 216 SER HA . 25806 1 127 . 1 1 13 13 SER C C 13 175.835 . . . . . . A 216 SER C . 25806 1 128 . 1 1 13 13 SER CA C 13 63.777 . . . . . . A 216 SER CA . 25806 1 129 . 1 1 13 13 SER CB C 13 62.965 . . . . . . A 216 SER CB . 25806 1 130 . 1 1 13 13 SER N N 15 116.314 . . . . . . A 216 SER N . 25806 1 131 . 1 1 14 14 VAL H H 1 8.381 . . . . . . A 217 VAL H . 25806 1 132 . 1 1 14 14 VAL HA H 1 3.577 . . . . . . A 217 VAL HA . 25806 1 133 . 1 1 14 14 VAL HB H 1 2.290 . . . . . . A 217 VAL HB . 25806 1 134 . 1 1 14 14 VAL HG11 H 1 0.939 . . . . . . A 217 VAL HG11 . 25806 1 135 . 1 1 14 14 VAL HG12 H 1 0.939 . . . . . . A 217 VAL HG12 . 25806 1 136 . 1 1 14 14 VAL HG13 H 1 0.939 . . . . . . A 217 VAL HG13 . 25806 1 137 . 1 1 14 14 VAL HG21 H 1 1.001 . . . . . . A 217 VAL HG21 . 25806 1 138 . 1 1 14 14 VAL HG22 H 1 1.001 . . . . . . A 217 VAL HG22 . 25806 1 139 . 1 1 14 14 VAL HG23 H 1 1.001 . . . . . . A 217 VAL HG23 . 25806 1 140 . 1 1 14 14 VAL C C 13 178.640 . . . . . . A 217 VAL C . 25806 1 141 . 1 1 14 14 VAL CA C 13 66.870 . . . . . . A 217 VAL CA . 25806 1 142 . 1 1 14 14 VAL CB C 13 31.611 . . . . . . A 217 VAL CB . 25806 1 143 . 1 1 14 14 VAL CG1 C 13 21.773 . . . . . . A 217 VAL CG1 . 25806 1 144 . 1 1 14 14 VAL CG2 C 13 23.459 . . . . . . A 217 VAL CG2 . 25806 1 145 . 1 1 14 14 VAL N N 15 120.711 . . . . . . A 217 VAL N . 25806 1 146 . 1 1 15 15 ALA H H 1 8.565 . . . . . . A 218 ALA H . 25806 1 147 . 1 1 15 15 ALA HA H 1 4.003 . . . . . . A 218 ALA HA . 25806 1 148 . 1 1 15 15 ALA HB1 H 1 1.513 . . . . . . A 218 ALA HB1 . 25806 1 149 . 1 1 15 15 ALA HB2 H 1 1.513 . . . . . . A 218 ALA HB2 . 25806 1 150 . 1 1 15 15 ALA HB3 H 1 1.513 . . . . . . A 218 ALA HB3 . 25806 1 151 . 1 1 15 15 ALA C C 13 178.882 . . . . . . A 218 ALA C . 25806 1 152 . 1 1 15 15 ALA CA C 13 56.052 . . . . . . A 218 ALA CA . 25806 1 153 . 1 1 15 15 ALA CB C 13 18.212 . . . . . . A 218 ALA CB . 25806 1 154 . 1 1 15 15 ALA N N 15 125.445 . . . . . . A 218 ALA N . 25806 1 155 . 1 1 16 16 VAL H H 1 8.575 . . . . . . A 219 VAL H . 25806 1 156 . 1 1 16 16 VAL HA H 1 3.555 . . . . . . A 219 VAL HA . 25806 1 157 . 1 1 16 16 VAL HB H 1 2.221 . . . . . . A 219 VAL HB . 25806 1 158 . 1 1 16 16 VAL HG11 H 1 0.907 . . . . . . A 219 VAL HG11 . 25806 1 159 . 1 1 16 16 VAL HG12 H 1 0.907 . . . . . . A 219 VAL HG12 . 25806 1 160 . 1 1 16 16 VAL HG13 H 1 0.907 . . . . . . A 219 VAL HG13 . 25806 1 161 . 1 1 16 16 VAL HG21 H 1 1.093 . . . . . . A 219 VAL HG21 . 25806 1 162 . 1 1 16 16 VAL HG22 H 1 1.093 . . . . . . A 219 VAL HG22 . 25806 1 163 . 1 1 16 16 VAL HG23 H 1 1.093 . . . . . . A 219 VAL HG23 . 25806 1 164 . 1 1 16 16 VAL C C 13 177.632 . . . . . . A 219 VAL C . 25806 1 165 . 1 1 16 16 VAL CA C 13 67.308 . . . . . . A 219 VAL CA . 25806 1 166 . 1 1 16 16 VAL CB C 13 31.411 . . . . . . A 219 VAL CB . 25806 1 167 . 1 1 16 16 VAL CG1 C 13 21.676 . . . . . . A 219 VAL CG1 . 25806 1 168 . 1 1 16 16 VAL CG2 C 13 23.547 . . . . . . A 219 VAL CG2 . 25806 1 169 . 1 1 16 16 VAL N N 15 116.767 . . . . . . A 219 VAL N . 25806 1 170 . 1 1 17 17 LEU H H 1 8.434 . . . . . . A 220 LEU H . 25806 1 171 . 1 1 17 17 LEU HA H 1 3.973 . . . . . . A 220 LEU HA . 25806 1 172 . 1 1 17 17 LEU HB2 H 1 1.802 . . . . . . A 220 LEU HB2 . 25806 1 173 . 1 1 17 17 LEU HB3 H 1 1.671 . . . . . . A 220 LEU HB3 . 25806 1 174 . 1 1 17 17 LEU HG H 1 1.801 . . . . . . A 220 LEU HG . 25806 1 175 . 1 1 17 17 LEU HD11 H 1 0.884 . . . . . . A 220 LEU HD11 . 25806 1 176 . 1 1 17 17 LEU HD12 H 1 0.884 . . . . . . A 220 LEU HD12 . 25806 1 177 . 1 1 17 17 LEU HD13 H 1 0.884 . . . . . . A 220 LEU HD13 . 25806 1 178 . 1 1 17 17 LEU C C 13 178.641 . . . . . . A 220 LEU C . 25806 1 179 . 1 1 17 17 LEU CA C 13 58.527 . . . . . . A 220 LEU CA . 25806 1 180 . 1 1 17 17 LEU CB C 13 41.914 . . . . . . A 220 LEU CB . 25806 1 181 . 1 1 17 17 LEU CG C 13 27.194 . . . . . . A 220 LEU CG . 25806 1 182 . 1 1 17 17 LEU CD1 C 13 24.345 . . . . . . A 220 LEU CD1 . 25806 1 183 . 1 1 17 17 LEU N N 15 118.644 . . . . . . A 220 LEU N . 25806 1 184 . 1 1 18 18 SER H H 1 8.478 . . . . . . A 221 SER H . 25806 1 185 . 1 1 18 18 SER HA H 1 4.026 . . . . . . A 221 SER HA . 25806 1 186 . 1 1 18 18 SER C C 13 175.620 . . . . . . A 221 SER C . 25806 1 187 . 1 1 18 18 SER CA C 13 63.606 . . . . . . A 221 SER CA . 25806 1 188 . 1 1 18 18 SER CB C 13 62.966 . . . . . . A 221 SER CB . 25806 1 189 . 1 1 18 18 SER N N 15 114.238 . . . . . . A 221 SER N . 25806 1 190 . 1 1 19 19 ALA H H 1 8.160 . . . . . . A 222 ALA H . 25806 1 191 . 1 1 19 19 ALA HA H 1 3.967 . . . . . . A 222 ALA HA . 25806 1 192 . 1 1 19 19 ALA HB1 H 1 1.524 . . . . . . A 222 ALA HB1 . 25806 1 193 . 1 1 19 19 ALA HB2 H 1 1.524 . . . . . . A 222 ALA HB2 . 25806 1 194 . 1 1 19 19 ALA HB3 H 1 1.524 . . . . . . A 222 ALA HB3 . 25806 1 195 . 1 1 19 19 ALA C C 13 178.799 . . . . . . A 222 ALA C . 25806 1 196 . 1 1 19 19 ALA CA C 13 55.796 . . . . . . A 222 ALA CA . 25806 1 197 . 1 1 19 19 ALA CB C 13 18.003 . . . . . . A 222 ALA CB . 25806 1 198 . 1 1 19 19 ALA N N 15 124.323 . . . . . . A 222 ALA N . 25806 1 199 . 1 1 20 20 VAL H H 1 8.274 . . . . . . A 223 VAL H . 25806 1 200 . 1 1 20 20 VAL HA H 1 3.534 . . . . . . A 223 VAL HA . 25806 1 201 . 1 1 20 20 VAL HB H 1 2.333 . . . . . . A 223 VAL HB . 25806 1 202 . 1 1 20 20 VAL HG11 H 1 0.913 . . . . . . A 223 VAL HG11 . 25806 1 203 . 1 1 20 20 VAL HG12 H 1 0.913 . . . . . . A 223 VAL HG12 . 25806 1 204 . 1 1 20 20 VAL HG13 H 1 0.913 . . . . . . A 223 VAL HG13 . 25806 1 205 . 1 1 20 20 VAL HG21 H 1 1.064 . . . . . . A 223 VAL HG21 . 25806 1 206 . 1 1 20 20 VAL HG22 H 1 1.064 . . . . . . A 223 VAL HG22 . 25806 1 207 . 1 1 20 20 VAL HG23 H 1 1.064 . . . . . . A 223 VAL HG23 . 25806 1 208 . 1 1 20 20 VAL C C 13 177.402 . . . . . . A 223 VAL C . 25806 1 209 . 1 1 20 20 VAL CA C 13 67.393 . . . . . . A 223 VAL CA . 25806 1 210 . 1 1 20 20 VAL CB C 13 31.317 . . . . . . A 223 VAL CB . 25806 1 211 . 1 1 20 20 VAL CG1 C 13 21.625 . . . . . . A 223 VAL CG1 . 25806 1 212 . 1 1 20 20 VAL CG2 C 13 23.473 . . . . . . A 223 VAL CG2 . 25806 1 213 . 1 1 20 20 VAL N N 15 116.763 . . . . . . A 223 VAL N . 25806 1 214 . 1 1 21 21 ILE H H 1 8.375 . . . . . . A 224 ILE H . 25806 1 215 . 1 1 21 21 ILE HA H 1 3.633 . . . . . . A 224 ILE HA . 25806 1 216 . 1 1 21 21 ILE HB H 1 2.098 . . . . . . A 224 ILE HB . 25806 1 217 . 1 1 21 21 ILE HG12 H 1 1.102 . . . . . . A 224 ILE HG12 . 25806 1 218 . 1 1 21 21 ILE HG13 H 1 1.851 . . . . . . A 224 ILE HG13 . 25806 1 219 . 1 1 21 21 ILE HG21 H 1 0.920 . . . . . . A 224 ILE HG21 . 25806 1 220 . 1 1 21 21 ILE HG22 H 1 0.920 . . . . . . A 224 ILE HG22 . 25806 1 221 . 1 1 21 21 ILE HG23 H 1 0.920 . . . . . . A 224 ILE HG23 . 25806 1 222 . 1 1 21 21 ILE HD11 H 1 0.815 . . . . . . A 224 ILE HD11 . 25806 1 223 . 1 1 21 21 ILE HD12 H 1 0.815 . . . . . . A 224 ILE HD12 . 25806 1 224 . 1 1 21 21 ILE HD13 H 1 0.815 . . . . . . A 224 ILE HD13 . 25806 1 225 . 1 1 21 21 ILE C C 13 177.422 . . . . . . A 224 ILE C . 25806 1 226 . 1 1 21 21 ILE CA C 13 65.827 . . . . . . A 224 ILE CA . 25806 1 227 . 1 1 21 21 ILE CB C 13 37.301 . . . . . . A 224 ILE CB . 25806 1 228 . 1 1 21 21 ILE CG1 C 13 29.845 . . . . . . A 224 ILE CG1 . 25806 1 229 . 1 1 21 21 ILE CG2 C 13 17.396 . . . . . . A 224 ILE CG2 . 25806 1 230 . 1 1 21 21 ILE CD1 C 13 13.054 . . . . . . A 224 ILE CD1 . 25806 1 231 . 1 1 21 21 ILE N N 15 118.686 . . . . . . A 224 ILE N . 25806 1 232 . 1 1 22 22 CYS H H 1 8.202 . . . . . . A 225 CYS H . 25806 1 233 . 1 1 22 22 CYS HA H 1 4.018 . . . . . . A 225 CYS HA . 25806 1 234 . 1 1 22 22 CYS HB2 H 1 3.178 . . . . . . A 225 CYS HB2 . 25806 1 235 . 1 1 22 22 CYS HB3 H 1 2.671 . . . . . . A 225 CYS HB3 . 25806 1 236 . 1 1 22 22 CYS C C 13 176.120 . . . . . . A 225 CYS C . 25806 1 237 . 1 1 22 22 CYS CA C 13 65.013 . . . . . . A 225 CYS CA . 25806 1 238 . 1 1 22 22 CYS CB C 13 26.856 . . . . . . A 225 CYS CB . 25806 1 239 . 1 1 22 22 CYS N N 15 116.617 . . . . . . A 225 CYS N . 25806 1 240 . 1 1 23 23 LEU H H 1 8.210 . . . . . . A 226 LEU H . 25806 1 241 . 1 1 23 23 LEU HA H 1 4.016 . . . . . . A 226 LEU HA . 25806 1 242 . 1 1 23 23 LEU HB2 H 1 1.938 . . . . . . A 226 LEU HB2 . 25806 1 243 . 1 1 23 23 LEU HB3 H 1 1.639 . . . . . . A 226 LEU HB3 . 25806 1 244 . 1 1 23 23 LEU HD11 H 1 0.858 . . . . . . A 226 LEU HD11 . 25806 1 245 . 1 1 23 23 LEU HD12 H 1 0.858 . . . . . . A 226 LEU HD12 . 25806 1 246 . 1 1 23 23 LEU HD13 H 1 0.858 . . . . . . A 226 LEU HD13 . 25806 1 247 . 1 1 23 23 LEU C C 13 177.990 . . . . . . A 226 LEU C . 25806 1 248 . 1 1 23 23 LEU CA C 13 58.559 . . . . . . A 226 LEU CA . 25806 1 249 . 1 1 23 23 LEU CB C 13 41.749 . . . . . . A 226 LEU CB . 25806 1 250 . 1 1 23 23 LEU CD1 C 13 24.104 . . . . . . A 226 LEU CD1 . 25806 1 251 . 1 1 23 23 LEU N N 15 118.552 . . . . . . A 226 LEU N . 25806 1 252 . 1 1 24 24 ILE H H 1 8.233 . . . . . . A 227 ILE H . 25806 1 253 . 1 1 24 24 ILE HA H 1 3.824 . . . . . . A 227 ILE HA . 25806 1 254 . 1 1 24 24 ILE HB H 1 2.138 . . . . . . A 227 ILE HB . 25806 1 255 . 1 1 24 24 ILE HG12 H 1 1.068 . . . . . . A 227 ILE HG12 . 25806 1 256 . 1 1 24 24 ILE HG21 H 1 0.982 . . . . . . A 227 ILE HG21 . 25806 1 257 . 1 1 24 24 ILE HG22 H 1 0.982 . . . . . . A 227 ILE HG22 . 25806 1 258 . 1 1 24 24 ILE HG23 H 1 0.982 . . . . . . A 227 ILE HG23 . 25806 1 259 . 1 1 24 24 ILE HD11 H 1 0.808 . . . . . . A 227 ILE HD11 . 25806 1 260 . 1 1 24 24 ILE HD12 H 1 0.808 . . . . . . A 227 ILE HD12 . 25806 1 261 . 1 1 24 24 ILE HD13 H 1 0.808 . . . . . . A 227 ILE HD13 . 25806 1 262 . 1 1 24 24 ILE C C 13 177.429 . . . . . . A 227 ILE C . 25806 1 263 . 1 1 24 24 ILE CA C 13 65.849 . . . . . . A 227 ILE CA . 25806 1 264 . 1 1 24 24 ILE CB C 13 37.542 . . . . . . A 227 ILE CB . 25806 1 265 . 1 1 24 24 ILE CG1 C 13 29.546 . . . . . . A 227 ILE CG1 . 25806 1 266 . 1 1 24 24 ILE CG2 C 13 17.518 . . . . . . A 227 ILE CG2 . 25806 1 267 . 1 1 24 24 ILE CD1 C 13 13.823 . . . . . . A 227 ILE CD1 . 25806 1 268 . 1 1 24 24 ILE N N 15 118.243 . . . . . . A 227 ILE N . 25806 1 269 . 1 1 25 25 ILE H H 1 8.161 . . . . . . A 228 ILE H . 25806 1 270 . 1 1 25 25 ILE HA H 1 3.696 . . . . . . A 228 ILE HA . 25806 1 271 . 1 1 25 25 ILE HB H 1 2.141 . . . . . . A 228 ILE HB . 25806 1 272 . 1 1 25 25 ILE HG12 H 1 1.052 . . . . . . A 228 ILE HG12 . 25806 1 273 . 1 1 25 25 ILE HG21 H 1 0.925 . . . . . . A 228 ILE HG21 . 25806 1 274 . 1 1 25 25 ILE HG22 H 1 0.925 . . . . . . A 228 ILE HG22 . 25806 1 275 . 1 1 25 25 ILE HG23 H 1 0.925 . . . . . . A 228 ILE HG23 . 25806 1 276 . 1 1 25 25 ILE HD11 H 1 0.852 . . . . . . A 228 ILE HD11 . 25806 1 277 . 1 1 25 25 ILE HD12 H 1 0.852 . . . . . . A 228 ILE HD12 . 25806 1 278 . 1 1 25 25 ILE HD13 H 1 0.852 . . . . . . A 228 ILE HD13 . 25806 1 279 . 1 1 25 25 ILE C C 13 177.269 . . . . . . A 228 ILE C . 25806 1 280 . 1 1 25 25 ILE CA C 13 66.225 . . . . . . A 228 ILE CA . 25806 1 281 . 1 1 25 25 ILE CB C 13 37.450 . . . . . . A 228 ILE CB . 25806 1 282 . 1 1 25 25 ILE CG1 C 13 29.733 . . . . . . A 228 ILE CG1 . 25806 1 283 . 1 1 25 25 ILE CG2 C 13 17.503 . . . . . . A 228 ILE CG2 . 25806 1 284 . 1 1 25 25 ILE CD1 C 13 13.769 . . . . . . A 228 ILE CD1 . 25806 1 285 . 1 1 25 25 ILE N N 15 118.904 . . . . . . A 228 ILE N . 25806 1 286 . 1 1 26 26 VAL H H 1 8.366 . . . . . . A 229 VAL H . 25806 1 287 . 1 1 26 26 VAL HA H 1 3.573 . . . . . . A 229 VAL HA . 25806 1 288 . 1 1 26 26 VAL HB H 1 2.297 . . . . . . A 229 VAL HB . 25806 1 289 . 1 1 26 26 VAL HG11 H 1 0.978 . . . . . . A 229 VAL HG11 . 25806 1 290 . 1 1 26 26 VAL HG12 H 1 0.978 . . . . . . A 229 VAL HG12 . 25806 1 291 . 1 1 26 26 VAL HG13 H 1 0.978 . . . . . . A 229 VAL HG13 . 25806 1 292 . 1 1 26 26 VAL HG21 H 1 1.127 . . . . . . A 229 VAL HG21 . 25806 1 293 . 1 1 26 26 VAL HG22 H 1 1.127 . . . . . . A 229 VAL HG22 . 25806 1 294 . 1 1 26 26 VAL HG23 H 1 1.127 . . . . . . A 229 VAL HG23 . 25806 1 295 . 1 1 26 26 VAL C C 13 177.312 . . . . . . A 229 VAL C . 25806 1 296 . 1 1 26 26 VAL CA C 13 67.509 . . . . . . A 229 VAL CA . 25806 1 297 . 1 1 26 26 VAL CB C 13 31.319 . . . . . . A 229 VAL CB . 25806 1 298 . 1 1 26 26 VAL CG1 C 13 21.899 . . . . . . A 229 VAL CG1 . 25806 1 299 . 1 1 26 26 VAL CG2 C 13 23.525 . . . . . . A 229 VAL CG2 . 25806 1 300 . 1 1 26 26 VAL N N 15 118.028 . . . . . . A 229 VAL N . 25806 1 301 . 1 1 27 27 TRP H H 1 8.618 . . . . . . A 230 TRP H . 25806 1 302 . 1 1 27 27 TRP HA H 1 4.294 . . . . . . A 230 TRP HA . 25806 1 303 . 1 1 27 27 TRP HB2 H 1 3.615 . . . . . . A 230 TRP HB2 . 25806 1 304 . 1 1 27 27 TRP HB3 H 1 3.336 . . . . . . A 230 TRP HB3 . 25806 1 305 . 1 1 27 27 TRP HD1 H 1 7.121 . . . . . . A 230 TRP HD1 . 25806 1 306 . 1 1 27 27 TRP HE1 H 1 10.056 . . . . . . A 230 TRP HE1 . 25806 1 307 . 1 1 27 27 TRP HE3 H 1 7.590 . . . . . . A 230 TRP HE3 . 25806 1 308 . 1 1 27 27 TRP HZ2 H 1 7.414 . . . . . . A 230 TRP HZ2 . 25806 1 309 . 1 1 27 27 TRP HZ3 H 1 6.888 . . . . . . A 230 TRP HZ3 . 25806 1 310 . 1 1 27 27 TRP HH2 H 1 7.070 . . . . . . A 230 TRP HH2 . 25806 1 311 . 1 1 27 27 TRP C C 13 177.236 . . . . . . A 230 TRP C . 25806 1 312 . 1 1 27 27 TRP CA C 13 60.793 . . . . . . A 230 TRP CA . 25806 1 313 . 1 1 27 27 TRP CB C 13 29.170 . . . . . . A 230 TRP CB . 25806 1 314 . 1 1 27 27 TRP CD1 C 13 124.990 . . . . . . A 230 TRP CD1 . 25806 1 315 . 1 1 27 27 TRP CE3 C 13 120.655 . . . . . . A 230 TRP CE3 . 25806 1 316 . 1 1 27 27 TRP CZ2 C 13 114.361 . . . . . . A 230 TRP CZ2 . 25806 1 317 . 1 1 27 27 TRP CZ3 C 13 120.614 . . . . . . A 230 TRP CZ3 . 25806 1 318 . 1 1 27 27 TRP CH2 C 13 123.870 . . . . . . A 230 TRP CH2 . 25806 1 319 . 1 1 27 27 TRP N N 15 120.511 . . . . . . A 230 TRP N . 25806 1 320 . 1 1 27 27 TRP NE1 N 15 127.681 . . . . . . A 230 TRP NE1 . 25806 1 321 . 1 1 28 28 ALA H H 1 8.728 . . . . . . A 231 ALA H . 25806 1 322 . 1 1 28 28 ALA HA H 1 3.742 . . . . . . A 231 ALA HA . 25806 1 323 . 1 1 28 28 ALA HB1 H 1 1.545 . . . . . . A 231 ALA HB1 . 25806 1 324 . 1 1 28 28 ALA HB2 H 1 1.545 . . . . . . A 231 ALA HB2 . 25806 1 325 . 1 1 28 28 ALA HB3 H 1 1.545 . . . . . . A 231 ALA HB3 . 25806 1 326 . 1 1 28 28 ALA C C 13 179.679 . . . . . . A 231 ALA C . 25806 1 327 . 1 1 28 28 ALA CA C 13 55.559 . . . . . . A 231 ALA CA . 25806 1 328 . 1 1 28 28 ALA CB C 13 18.475 . . . . . . A 231 ALA CB . 25806 1 329 . 1 1 28 28 ALA N N 15 119.679 . . . . . . A 231 ALA N . 25806 1 330 . 1 1 29 29 VAL H H 1 8.453 . . . . . . A 232 VAL H . 25806 1 331 . 1 1 29 29 VAL HA H 1 3.733 . . . . . . A 232 VAL HA . 25806 1 332 . 1 1 29 29 VAL HB H 1 2.280 . . . . . . A 232 VAL HB . 25806 1 333 . 1 1 29 29 VAL HG11 H 1 0.988 . . . . . . A 232 VAL HG11 . 25806 1 334 . 1 1 29 29 VAL HG12 H 1 0.988 . . . . . . A 232 VAL HG12 . 25806 1 335 . 1 1 29 29 VAL HG13 H 1 0.988 . . . . . . A 232 VAL HG13 . 25806 1 336 . 1 1 29 29 VAL HG21 H 1 1.122 . . . . . . A 232 VAL HG21 . 25806 1 337 . 1 1 29 29 VAL HG22 H 1 1.122 . . . . . . A 232 VAL HG22 . 25806 1 338 . 1 1 29 29 VAL HG23 H 1 1.122 . . . . . . A 232 VAL HG23 . 25806 1 339 . 1 1 29 29 VAL C C 13 178.103 . . . . . . A 232 VAL C . 25806 1 340 . 1 1 29 29 VAL CA C 13 66.138 . . . . . . A 232 VAL CA . 25806 1 341 . 1 1 29 29 VAL CB C 13 31.855 . . . . . . A 232 VAL CB . 25806 1 342 . 1 1 29 29 VAL CG1 C 13 21.978 . . . . . . A 232 VAL CG1 . 25806 1 343 . 1 1 29 29 VAL CG2 C 13 23.222 . . . . . . A 232 VAL CG2 . 25806 1 344 . 1 1 29 29 VAL N N 15 115.974 . . . . . . A 232 VAL N . 25806 1 345 . 1 1 30 30 ALA H H 1 8.472 . . . . . . A 233 ALA H . 25806 1 346 . 1 1 30 30 ALA HA H 1 4.175 . . . . . . A 233 ALA HA . 25806 1 347 . 1 1 30 30 ALA HB1 H 1 1.531 . . . . . . A 233 ALA HB1 . 25806 1 348 . 1 1 30 30 ALA HB2 H 1 1.531 . . . . . . A 233 ALA HB2 . 25806 1 349 . 1 1 30 30 ALA HB3 H 1 1.531 . . . . . . A 233 ALA HB3 . 25806 1 350 . 1 1 30 30 ALA C C 13 179.434 . . . . . . A 233 ALA C . 25806 1 351 . 1 1 30 30 ALA CA C 13 54.989 . . . . . . A 233 ALA CA . 25806 1 352 . 1 1 30 30 ALA CB C 13 18.603 . . . . . . A 233 ALA CB . 25806 1 353 . 1 1 30 30 ALA N N 15 122.331 . . . . . . A 233 ALA N . 25806 1 354 . 1 1 31 31 LEU H H 1 8.208 . . . . . . A 234 LEU H . 25806 1 355 . 1 1 31 31 LEU HA H 1 4.178 . . . . . . A 234 LEU HA . 25806 1 356 . 1 1 31 31 LEU HB2 H 1 1.751 . . . . . . A 234 LEU HB2 . 25806 1 357 . 1 1 31 31 LEU HB3 H 1 1.511 . . . . . . A 234 LEU HB3 . 25806 1 358 . 1 1 31 31 LEU HG H 1 1.680 . . . . . . A 234 LEU HG . 25806 1 359 . 1 1 31 31 LEU HD11 H 1 0.816 . . . . . . A 234 LEU HD11 . 25806 1 360 . 1 1 31 31 LEU HD12 H 1 0.816 . . . . . . A 234 LEU HD12 . 25806 1 361 . 1 1 31 31 LEU HD13 H 1 0.816 . . . . . . A 234 LEU HD13 . 25806 1 362 . 1 1 31 31 LEU HD21 H 1 0.732 . . . . . . A 234 LEU HD21 . 25806 1 363 . 1 1 31 31 LEU HD22 H 1 0.732 . . . . . . A 234 LEU HD22 . 25806 1 364 . 1 1 31 31 LEU HD23 H 1 0.732 . . . . . . A 234 LEU HD23 . 25806 1 365 . 1 1 31 31 LEU C C 13 179.118 . . . . . . A 234 LEU C . 25806 1 366 . 1 1 31 31 LEU CA C 13 57.066 . . . . . . A 234 LEU CA . 25806 1 367 . 1 1 31 31 LEU CB C 13 42.156 . . . . . . A 234 LEU CB . 25806 1 368 . 1 1 31 31 LEU CG C 13 27.318 . . . . . . A 234 LEU CG . 25806 1 369 . 1 1 31 31 LEU CD1 C 13 23.752 . . . . . . A 234 LEU CD1 . 25806 1 370 . 1 1 31 31 LEU CD2 C 13 25.198 . . . . . . A 234 LEU CD2 . 25806 1 371 . 1 1 31 31 LEU N N 15 116.926 . . . . . . A 234 LEU N . 25806 1 372 . 1 1 32 32 LYS H H 1 7.857 . . . . . . A 235 LYS H . 25806 1 373 . 1 1 32 32 LYS HA H 1 4.188 . . . . . . A 235 LYS HA . 25806 1 374 . 1 1 32 32 LYS HB2 H 1 1.867 . . . . . . A 235 LYS HB2 . 25806 1 375 . 1 1 32 32 LYS HB3 H 1 1.889 . . . . . . A 235 LYS HB3 . 25806 1 376 . 1 1 32 32 LYS HG2 H 1 1.391 . . . . . . A 235 LYS HG2 . 25806 1 377 . 1 1 32 32 LYS HD2 H 1 1.688 . . . . . . A 235 LYS HD2 . 25806 1 378 . 1 1 32 32 LYS HE2 H 1 2.967 . . . . . . A 235 LYS HE2 . 25806 1 379 . 1 1 32 32 LYS HE3 H 1 3.022 . . . . . . A 235 LYS HE3 . 25806 1 380 . 1 1 32 32 LYS C C 13 178.315 . . . . . . A 235 LYS C . 25806 1 381 . 1 1 32 32 LYS CA C 13 57.085 . . . . . . A 235 LYS CA . 25806 1 382 . 1 1 32 32 LYS CB C 13 32.014 . . . . . . A 235 LYS CB . 25806 1 383 . 1 1 32 32 LYS CG C 13 24.604 . . . . . . A 235 LYS CG . 25806 1 384 . 1 1 32 32 LYS CD C 13 28.590 . . . . . . A 235 LYS CD . 25806 1 385 . 1 1 32 32 LYS CE C 13 41.991 . . . . . . A 235 LYS CE . 25806 1 386 . 1 1 32 32 LYS N N 15 117.891 . . . . . . A 235 LYS N . 25806 1 387 . 1 1 33 33 GLY H H 1 8.243 . . . . . . A 236 GLY H . 25806 1 388 . 1 1 33 33 GLY HA2 H 1 3.884 . . . . . . A 236 GLY HA2 . 25806 1 389 . 1 1 33 33 GLY HA3 H 1 3.815 . . . . . . A 236 GLY HA3 . 25806 1 390 . 1 1 33 33 GLY C C 13 174.493 . . . . . . A 236 GLY C . 25806 1 391 . 1 1 33 33 GLY CA C 13 46.354 . . . . . . A 236 GLY CA . 25806 1 392 . 1 1 33 33 GLY N N 15 107.369 . . . . . . A 236 GLY N . 25806 1 393 . 1 1 34 34 TYR H H 1 8.029 . . . . . . A 237 TYR H . 25806 1 394 . 1 1 34 34 TYR HA H 1 4.501 . . . . . . A 237 TYR HA . 25806 1 395 . 1 1 34 34 TYR HB2 H 1 2.968 . . . . . . A 237 TYR HB2 . 25806 1 396 . 1 1 34 34 TYR HB3 H 1 3.094 . . . . . . A 237 TYR HB3 . 25806 1 397 . 1 1 34 34 TYR HD1 H 1 7.143 . . . . . . A 237 TYR HD1 . 25806 1 398 . 1 1 34 34 TYR HD2 H 1 7.143 . . . . . . A 237 TYR HD2 . 25806 1 399 . 1 1 34 34 TYR HE1 H 1 6.816 . . . . . . A 237 TYR HE1 . 25806 1 400 . 1 1 34 34 TYR HE2 H 1 6.816 . . . . . . A 237 TYR HE2 . 25806 1 401 . 1 1 34 34 TYR C C 13 175.646 . . . . . . A 237 TYR C . 25806 1 402 . 1 1 34 34 TYR CA C 13 58.961 . . . . . . A 237 TYR CA . 25806 1 403 . 1 1 34 34 TYR CB C 13 39.006 . . . . . . A 237 TYR CB . 25806 1 404 . 1 1 34 34 TYR CD1 C 13 133.026 . . . . . . A 237 TYR CD1 . 25806 1 405 . 1 1 34 34 TYR CD2 C 13 133.026 . . . . . . A 237 TYR CD2 . 25806 1 406 . 1 1 34 34 TYR CE1 C 13 118.195 . . . . . . A 237 TYR CE1 . 25806 1 407 . 1 1 34 34 TYR CE2 C 13 118.195 . . . . . . A 237 TYR CE2 . 25806 1 408 . 1 1 34 34 TYR N N 15 119.546 . . . . . . A 237 TYR N . 25806 1 409 . 1 1 35 35 SER H H 1 7.946 . . . . . . A 238 SER H . 25806 1 410 . 1 1 35 35 SER HA H 1 4.472 . . . . . . A 238 SER HA . 25806 1 411 . 1 1 35 35 SER HB2 H 1 3.917 . . . . . . A 238 SER HB2 . 25806 1 412 . 1 1 35 35 SER C C 13 174.318 . . . . . . A 238 SER C . 25806 1 413 . 1 1 35 35 SER CA C 13 58.619 . . . . . . A 238 SER CA . 25806 1 414 . 1 1 35 35 SER CB C 13 63.959 . . . . . . A 238 SER CB . 25806 1 415 . 1 1 35 35 SER N N 15 115.132 . . . . . . A 238 SER N . 25806 1 416 . 1 1 36 36 MET H H 1 8.194 . . . . . . A 239 MET H . 25806 1 417 . 1 1 36 36 MET HA H 1 4.493 . . . . . . A 239 MET HA . 25806 1 418 . 1 1 36 36 MET HB2 H 1 2.229 . . . . . . A 239 MET HB2 . 25806 1 419 . 1 1 36 36 MET HB3 H 1 2.068 . . . . . . A 239 MET HB3 . 25806 1 420 . 1 1 36 36 MET HG2 H 1 2.680 . . . . . . A 239 MET HG2 . 25806 1 421 . 1 1 36 36 MET HG3 H 1 2.612 . . . . . . A 239 MET HG3 . 25806 1 422 . 1 1 36 36 MET C C 13 175.102 . . . . . . A 239 MET C . 25806 1 423 . 1 1 36 36 MET CA C 13 56.084 . . . . . . A 239 MET CA . 25806 1 424 . 1 1 36 36 MET CB C 13 33.566 . . . . . . A 239 MET CB . 25806 1 425 . 1 1 36 36 MET CG C 13 32.577 . . . . . . A 239 MET CG . 25806 1 426 . 1 1 36 36 MET N N 15 121.579 . . . . . . A 239 MET N . 25806 1 427 . 1 1 37 37 VAL H H 1 7.439 . . . . . . A 240 VAL H . 25806 1 428 . 1 1 37 37 VAL HA H 1 4.090 . . . . . . A 240 VAL HA . 25806 1 429 . 1 1 37 37 VAL HB H 1 2.140 . . . . . . A 240 VAL HB . 25806 1 430 . 1 1 37 37 VAL HG11 H 1 0.943 . . . . . . A 240 VAL HG11 . 25806 1 431 . 1 1 37 37 VAL HG12 H 1 0.943 . . . . . . A 240 VAL HG12 . 25806 1 432 . 1 1 37 37 VAL HG13 H 1 0.943 . . . . . . A 240 VAL HG13 . 25806 1 433 . 1 1 37 37 VAL HG21 H 1 0.911 . . . . . . A 240 VAL HG21 . 25806 1 434 . 1 1 37 37 VAL HG22 H 1 0.911 . . . . . . A 240 VAL HG22 . 25806 1 435 . 1 1 37 37 VAL HG23 H 1 0.911 . . . . . . A 240 VAL HG23 . 25806 1 436 . 1 1 37 37 VAL CA C 13 63.483 . . . . . . A 240 VAL CA . 25806 1 437 . 1 1 37 37 VAL CB C 13 33.480 . . . . . . A 240 VAL CB . 25806 1 438 . 1 1 37 37 VAL CG1 C 13 21.917 . . . . . . A 240 VAL CG1 . 25806 1 439 . 1 1 37 37 VAL CG2 C 13 20.312 . . . . . . A 240 VAL CG2 . 25806 1 440 . 1 1 37 37 VAL N N 15 122.047 . . . . . . A 240 VAL N . 25806 1 stop_ save_