data_51481 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 51481 _Entry.Title ; Chemical Shift Assignments of CT-IC 216-260 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2022-06-03 _Entry.Accession_date 2022-06-03 _Entry.Last_release_date 2022-06-06 _Entry.Original_release_date 2022-06-06 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details 'Chemical shift assignments for Chaetomium thermophilum dynein intermediate chain residues 216 to 260' _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 Nikolaus Loening . M. . 0000-0002-5074-6906 51481 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Lewis & Clark College' . 51481 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 51481 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 156 51481 '15N chemical shifts' 46 51481 '1H chemical shifts' 322 51481 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 . . 2022-12-12 . original BMRB . 51481 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID SP G0SCF1-1 'Putative dynein intermediate chain protein' 51481 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 51481 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 36416224 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Multivalency, autoinhibition, and protein disorder in the regulation of interactions of dynein intermediate chain with dynactin and the nuclear distribution protein ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Elife _Citation.Journal_name_full eLife _Citation.Journal_volume 11 _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN 2050-084X _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 e80217 _Citation.Page_last e80217 _Citation.Year 2022 _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 Kayla Jara . A. . . 51481 1 2 Nikolaus Loening . M. . . 51481 1 3 Patrick Reardon . N. . . 51481 1 4 Zhen Yu . . . . 51481 1 5 Prajna Woonnimani . . . . 51481 1 6 Coban Brooks . . . . 51481 1 7 Cat Vesely . H. . . 51481 1 8 Elisar Barbar . J. . . 51481 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 51481 _Assembly.ID 1 _Assembly.Name 'CTIC 216-260' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 5291.87 _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 'CTIC 216-260' 1 $entity_1 . . yes native no no . . . 51481 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 51481 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GAEELDAVTKSVEFMDFIDR STKVIEKALDQEYDILTDYT LQVHDV ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 215-260 _Entity.Polymer_author_seq_details 'First residue (G) is a non-native artifact' _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 46 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _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 1 215 GLY . 51481 1 2 216 ALA . 51481 1 3 217 GLU . 51481 1 4 218 GLU . 51481 1 5 219 LEU . 51481 1 6 220 ASP . 51481 1 7 221 ALA . 51481 1 8 222 VAL . 51481 1 9 223 THR . 51481 1 10 224 LYS . 51481 1 11 225 SER . 51481 1 12 226 VAL . 51481 1 13 227 GLU . 51481 1 14 228 PHE . 51481 1 15 229 MET . 51481 1 16 230 ASP . 51481 1 17 231 PHE . 51481 1 18 232 ILE . 51481 1 19 233 ASP . 51481 1 20 234 ARG . 51481 1 21 235 SER . 51481 1 22 236 THR . 51481 1 23 237 LYS . 51481 1 24 238 VAL . 51481 1 25 239 ILE . 51481 1 26 240 GLU . 51481 1 27 241 LYS . 51481 1 28 242 ALA . 51481 1 29 243 LEU . 51481 1 30 244 ASP . 51481 1 31 245 GLN . 51481 1 32 246 GLU . 51481 1 33 247 TYR . 51481 1 34 248 ASP . 51481 1 35 249 ILE . 51481 1 36 250 LEU . 51481 1 37 251 THR . 51481 1 38 252 ASP . 51481 1 39 253 TYR . 51481 1 40 254 THR . 51481 1 41 255 LEU . 51481 1 42 256 GLN . 51481 1 43 257 VAL . 51481 1 44 258 HIS . 51481 1 45 259 ASP . 51481 1 46 260 VAL . 51481 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 51481 1 . ALA 2 2 51481 1 . GLU 3 3 51481 1 . GLU 4 4 51481 1 . LEU 5 5 51481 1 . ASP 6 6 51481 1 . ALA 7 7 51481 1 . VAL 8 8 51481 1 . THR 9 9 51481 1 . LYS 10 10 51481 1 . SER 11 11 51481 1 . VAL 12 12 51481 1 . GLU 13 13 51481 1 . PHE 14 14 51481 1 . MET 15 15 51481 1 . ASP 16 16 51481 1 . PHE 17 17 51481 1 . ILE 18 18 51481 1 . ASP 19 19 51481 1 . ARG 20 20 51481 1 . SER 21 21 51481 1 . THR 22 22 51481 1 . LYS 23 23 51481 1 . VAL 24 24 51481 1 . ILE 25 25 51481 1 . GLU 26 26 51481 1 . LYS 27 27 51481 1 . ALA 28 28 51481 1 . LEU 29 29 51481 1 . ASP 30 30 51481 1 . GLN 31 31 51481 1 . GLU 32 32 51481 1 . TYR 33 33 51481 1 . ASP 34 34 51481 1 . ILE 35 35 51481 1 . LEU 36 36 51481 1 . THR 37 37 51481 1 . ASP 38 38 51481 1 . TYR 39 39 51481 1 . THR 40 40 51481 1 . LEU 41 41 51481 1 . GLN 42 42 51481 1 . VAL 43 43 51481 1 . HIS 44 44 51481 1 . ASP 45 45 51481 1 . VAL 46 46 51481 1 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 51481 _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 . 209285 organism . 'Chaetomium thermophilum' 'ascomycete fungi' . . Eukaryota Fungi Thermochaetoides thermophila . . . . . . . . . . . . . 51481 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 51481 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) . . plasmid . . pET-24 . . . 51481 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 51481 _Sample.ID 1 _Sample.Name '15N CT-IC 216-260' _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'CT-IC 216-260' '[U-99% 15N]' . . 1 $entity_1 . . 550 . . uM . . . . 51481 1 2 DSS 'natural abundance' . . . . . . 200 . . uM . . . . 51481 1 3 'sodium chloride' 'natural abundance' . . . . . . 20 . . mM . . . . 51481 1 4 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 51481 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 51481 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'CT-IC 216-260' _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 51481 1 pH 7.4 0.1 pH 51481 1 pressure 1 . atm 51481 1 temperature 283.1 0.1 K 51481 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 51481 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version 4.1.4 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 51481 1 processing . 51481 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 51481 _Software.ID 2 _Software.Type . _Software.Name CcpNMR _Software.Version 2.5.2 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 51481 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 51481 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'L&C 600' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE NEO' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 51481 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51481 1 2 '2D 1H-13C HSQC' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51481 1 3 '2D 1H-1H NOESY' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . '200 ms mixing time' 51481 1 4 '2D 1H-1H TOCSY' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . '60 ms mixing time' 51481 1 5 '3D 15N-separated NOESY' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51481 1 6 '3D 1H-15N TOCSY' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51481 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 51481 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name 'CT-IC 216-260' _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 . . . . . 51481 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 51481 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 51481 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 51481 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'CT-IC 216-260' _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 51481 1 2 '2D 1H-13C HSQC' . . . 51481 1 3 '2D 1H-1H NOESY' . . . 51481 1 4 '2D 1H-1H TOCSY' . . . 51481 1 5 '3D 15N-separated NOESY' . . . 51481 1 6 '3D 1H-15N TOCSY' . . . 51481 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 2 $software_2 . . 51481 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 1 1 GLY HA2 H 1 3.859 0.000 . 1 . . . . . 215 GLY HA2 . 51481 1 2 . 1 . 1 1 1 GLY HA3 H 1 3.859 0.000 . 1 . . . . . 215 GLY HA3 . 51481 1 3 . 1 . 1 1 1 GLY CA C 13 43.626 0.000 . 1 . . . . . 215 GLY CA . 51481 1 4 . 1 . 1 2 2 ALA HA H 1 4.294 0.003 . 1 . . . . . 216 ALA HA . 51481 1 5 . 1 . 1 2 2 ALA HB1 H 1 1.411 0.002 . 1 . . . . . 216 ALA HB1 . 51481 1 6 . 1 . 1 2 2 ALA HB2 H 1 1.411 0.002 . 1 . . . . . 216 ALA HB2 . 51481 1 7 . 1 . 1 2 2 ALA HB3 H 1 1.411 0.002 . 1 . . . . . 216 ALA HB3 . 51481 1 8 . 1 . 1 2 2 ALA CA C 13 52.373 0.000 . 1 . . . . . 216 ALA CA . 51481 1 9 . 1 . 1 2 2 ALA CB C 13 19.034 0.000 . 1 . . . . . 216 ALA CB . 51481 1 10 . 1 . 1 3 3 GLU H H 1 8.844 0.003 . 1 . . . . . 217 GLU H . 51481 1 11 . 1 . 1 3 3 GLU HA H 1 4.244 0.002 . 1 . . . . . 217 GLU HA . 51481 1 12 . 1 . 1 3 3 GLU HB2 H 1 1.975 0.002 . 2 . . . . . 217 GLU HB2 . 51481 1 13 . 1 . 1 3 3 GLU HB3 H 1 2.052 0.000 . 2 . . . . . 217 GLU HB3 . 51481 1 14 . 1 . 1 3 3 GLU HG2 H 1 2.265 0.000 . 2 . . . . . 217 GLU HG2 . 51481 1 15 . 1 . 1 3 3 GLU HG3 H 1 2.313 0.000 . 2 . . . . . 217 GLU HG3 . 51481 1 16 . 1 . 1 3 3 GLU CB C 13 29.562 0.017 . 1 . . . . . 217 GLU CB . 51481 1 17 . 1 . 1 3 3 GLU CG C 13 36.290 0.016 . 1 . . . . . 217 GLU CG . 51481 1 18 . 1 . 1 3 3 GLU N N 15 120.096 0.009 . 1 . . . . . 217 GLU N . 51481 1 19 . 1 . 1 4 4 GLU H H 1 8.449 0.001 . 1 . . . . . 218 GLU H . 51481 1 20 . 1 . 1 4 4 GLU HA H 1 4.265 0.002 . 1 . . . . . 218 GLU HA . 51481 1 21 . 1 . 1 4 4 GLU HB2 H 1 2.061 0.001 . 2 . . . . . 218 GLU HB2 . 51481 1 22 . 1 . 1 4 4 GLU HB3 H 1 1.975 0.001 . 2 . . . . . 218 GLU HB3 . 51481 1 23 . 1 . 1 4 4 GLU HG2 H 1 2.275 0.004 . 1 . . . . . 218 GLU HG2 . 51481 1 24 . 1 . 1 4 4 GLU HG3 H 1 2.270 0.000 . 1 . . . . . 218 GLU HG3 . 51481 1 25 . 1 . 1 4 4 GLU CA C 13 56.811 0.000 . 1 . . . . . 218 GLU CA . 51481 1 26 . 1 . 1 4 4 GLU CB C 13 30.170 0.014 . 1 . . . . . 218 GLU CB . 51481 1 27 . 1 . 1 4 4 GLU CG C 13 36.384 0.000 . 1 . . . . . 218 GLU CG . 51481 1 28 . 1 . 1 4 4 GLU N N 15 121.868 0.004 . 1 . . . . . 218 GLU N . 51481 1 29 . 1 . 1 5 5 LEU H H 1 8.277 0.003 . 1 . . . . . 219 LEU H . 51481 1 30 . 1 . 1 5 5 LEU HA H 1 4.312 0.001 . 1 . . . . . 219 LEU HA . 51481 1 31 . 1 . 1 5 5 LEU HB2 H 1 1.583 0.003 . 2 . . . . . 219 LEU HB2 . 51481 1 32 . 1 . 1 5 5 LEU HB3 H 1 1.670 0.009 . 2 . . . . . 219 LEU HB3 . 51481 1 33 . 1 . 1 5 5 LEU HD11 H 1 0.862 0.001 . 2 . . . . . 219 LEU HD11 . 51481 1 34 . 1 . 1 5 5 LEU HD12 H 1 0.862 0.001 . 2 . . . . . 219 LEU HD12 . 51481 1 35 . 1 . 1 5 5 LEU HD13 H 1 0.862 0.001 . 2 . . . . . 219 LEU HD13 . 51481 1 36 . 1 . 1 5 5 LEU HD21 H 1 0.934 0.001 . 2 . . . . . 219 LEU HD21 . 51481 1 37 . 1 . 1 5 5 LEU HD22 H 1 0.934 0.001 . 2 . . . . . 219 LEU HD22 . 51481 1 38 . 1 . 1 5 5 LEU HD23 H 1 0.934 0.001 . 2 . . . . . 219 LEU HD23 . 51481 1 39 . 1 . 1 5 5 LEU CA C 13 55.381 0.000 . 1 . . . . . 219 LEU CA . 51481 1 40 . 1 . 1 5 5 LEU CB C 13 42.285 0.008 . 1 . . . . . 219 LEU CB . 51481 1 41 . 1 . 1 5 5 LEU CD1 C 13 23.410 0.000 . 2 . . . . . 219 LEU CD1 . 51481 1 42 . 1 . 1 5 5 LEU CD2 C 13 25.005 0.000 . 2 . . . . . 219 LEU CD2 . 51481 1 43 . 1 . 1 5 5 LEU N N 15 122.937 0.020 . 1 . . . . . 219 LEU N . 51481 1 44 . 1 . 1 6 6 ASP H H 1 8.343 0.002 . 1 . . . . . 220 ASP H . 51481 1 45 . 1 . 1 6 6 ASP HA H 1 4.537 0.001 . 1 . . . . . 220 ASP HA . 51481 1 46 . 1 . 1 6 6 ASP HB2 H 1 2.634 0.001 . 2 . . . . . 220 ASP HB2 . 51481 1 47 . 1 . 1 6 6 ASP HB3 H 1 2.691 0.001 . 2 . . . . . 220 ASP HB3 . 51481 1 48 . 1 . 1 6 6 ASP CA C 13 54.510 0.000 . 1 . . . . . 220 ASP CA . 51481 1 49 . 1 . 1 6 6 ASP CB C 13 41.018 0.007 . 1 . . . . . 220 ASP CB . 51481 1 50 . 1 . 1 6 6 ASP N N 15 120.869 0.009 . 1 . . . . . 220 ASP N . 51481 1 51 . 1 . 1 7 7 ALA H H 1 8.173 0.002 . 1 . . . . . 221 ALA H . 51481 1 52 . 1 . 1 7 7 ALA HA H 1 4.269 0.002 . 1 . . . . . 221 ALA HA . 51481 1 53 . 1 . 1 7 7 ALA HB1 H 1 1.400 0.003 . 1 . . . . . 221 ALA HB1 . 51481 1 54 . 1 . 1 7 7 ALA HB2 H 1 1.400 0.003 . 1 . . . . . 221 ALA HB2 . 51481 1 55 . 1 . 1 7 7 ALA HB3 H 1 1.400 0.003 . 1 . . . . . 221 ALA HB3 . 51481 1 56 . 1 . 1 7 7 ALA CA C 13 52.998 0.000 . 1 . . . . . 221 ALA CA . 51481 1 57 . 1 . 1 7 7 ALA CB C 13 19.277 0.000 . 1 . . . . . 221 ALA CB . 51481 1 58 . 1 . 1 7 7 ALA N N 15 123.829 0.055 . 1 . . . . . 221 ALA N . 51481 1 59 . 1 . 1 8 8 VAL H H 1 8.164 0.002 . 1 . . . . . 222 VAL H . 51481 1 60 . 1 . 1 8 8 VAL HA H 1 4.091 0.003 . 1 . . . . . 222 VAL HA . 51481 1 61 . 1 . 1 8 8 VAL HB H 1 2.123 0.005 . 1 . . . . . 222 VAL HB . 51481 1 62 . 1 . 1 8 8 VAL HG11 H 1 0.937 0.004 . 2 . . . . . 222 VAL HG11 . 51481 1 63 . 1 . 1 8 8 VAL HG12 H 1 0.937 0.004 . 2 . . . . . 222 VAL HG12 . 51481 1 64 . 1 . 1 8 8 VAL HG13 H 1 0.937 0.004 . 2 . . . . . 222 VAL HG13 . 51481 1 65 . 1 . 1 8 8 VAL HG21 H 1 0.977 0.003 . 2 . . . . . 222 VAL HG21 . 51481 1 66 . 1 . 1 8 8 VAL HG22 H 1 0.977 0.003 . 2 . . . . . 222 VAL HG22 . 51481 1 67 . 1 . 1 8 8 VAL HG23 H 1 0.977 0.003 . 2 . . . . . 222 VAL HG23 . 51481 1 68 . 1 . 1 8 8 VAL CA C 13 62.934 0.000 . 1 . . . . . 222 VAL CA . 51481 1 69 . 1 . 1 8 8 VAL CB C 13 32.648 0.000 . 1 . . . . . 222 VAL CB . 51481 1 70 . 1 . 1 8 8 VAL CG1 C 13 20.445 0.000 . 2 . . . . . 222 VAL CG1 . 51481 1 71 . 1 . 1 8 8 VAL CG2 C 13 20.934 0.000 . 2 . . . . . 222 VAL CG2 . 51481 1 72 . 1 . 1 8 8 VAL N N 15 119.358 0.017 . 1 . . . . . 222 VAL N . 51481 1 73 . 1 . 1 9 9 THR H H 1 8.274 0.003 . 1 . . . . . 223 THR H . 51481 1 74 . 1 . 1 9 9 THR HA H 1 4.247 0.005 . 1 . . . . . 223 THR HA . 51481 1 75 . 1 . 1 9 9 THR HB H 1 4.156 0.002 . 1 . . . . . 223 THR HB . 51481 1 76 . 1 . 1 9 9 THR HG21 H 1 1.210 0.002 . 1 . . . . . 223 THR HG21 . 51481 1 77 . 1 . 1 9 9 THR HG22 H 1 1.210 0.002 . 1 . . . . . 223 THR HG22 . 51481 1 78 . 1 . 1 9 9 THR HG23 H 1 1.210 0.002 . 1 . . . . . 223 THR HG23 . 51481 1 79 . 1 . 1 9 9 THR CA C 13 62.550 0.000 . 1 . . . . . 223 THR CA . 51481 1 80 . 1 . 1 9 9 THR CB C 13 69.687 0.000 . 1 . . . . . 223 THR CB . 51481 1 81 . 1 . 1 9 9 THR CG2 C 13 21.781 0.000 . 1 . . . . . 223 THR CG2 . 51481 1 82 . 1 . 1 9 9 THR N N 15 118.554 0.074 . 1 . . . . . 223 THR N . 51481 1 83 . 1 . 1 10 10 LYS H H 1 8.388 0.006 . 1 . . . . . 224 LYS H . 51481 1 84 . 1 . 1 10 10 LYS HA H 1 4.343 0.005 . 1 . . . . . 224 LYS HA . 51481 1 85 . 1 . 1 10 10 LYS HB2 H 1 1.766 0.001 . 2 . . . . . 224 LYS HB2 . 51481 1 86 . 1 . 1 10 10 LYS HB3 H 1 1.840 0.001 . 2 . . . . . 224 LYS HB3 . 51481 1 87 . 1 . 1 10 10 LYS HG2 H 1 1.436 0.002 . 1 . . . . . 224 LYS HG2 . 51481 1 88 . 1 . 1 10 10 LYS HG3 H 1 1.437 0.001 . 1 . . . . . 224 LYS HG3 . 51481 1 89 . 1 . 1 10 10 LYS HD2 H 1 1.656 0.006 . 1 . . . . . 224 LYS HD2 . 51481 1 90 . 1 . 1 10 10 LYS HD3 H 1 1.656 0.005 . 1 . . . . . 224 LYS HD3 . 51481 1 91 . 1 . 1 10 10 LYS HE2 H 1 2.962 0.000 . 1 . . . . . 224 LYS HE2 . 51481 1 92 . 1 . 1 10 10 LYS HE3 H 1 2.961 0.002 . 1 . . . . . 224 LYS HE3 . 51481 1 93 . 1 . 1 10 10 LYS CA C 13 55.627 0.000 . 1 . . . . . 224 LYS CA . 51481 1 94 . 1 . 1 10 10 LYS CB C 13 33.198 0.006 . 1 . . . . . 224 LYS CB . 51481 1 95 . 1 . 1 10 10 LYS CG C 13 24.785 0.000 . 1 . . . . . 224 LYS CG . 51481 1 96 . 1 . 1 10 10 LYS CD C 13 29.117 0.000 . 1 . . . . . 224 LYS CD . 51481 1 97 . 1 . 1 10 10 LYS CE C 13 42.092 0.000 . 1 . . . . . 224 LYS CE . 51481 1 98 . 1 . 1 10 10 LYS N N 15 124.335 0.094 . 1 . . . . . 224 LYS N . 51481 1 99 . 1 . 1 11 11 SER H H 1 8.412 0.006 . 1 . . . . . 225 SER H . 51481 1 100 . 1 . 1 11 11 SER HA H 1 4.456 0.010 . 1 . . . . . 225 SER HA . 51481 1 101 . 1 . 1 11 11 SER HB2 H 1 3.896 0.005 . 1 . . . . . 225 SER HB2 . 51481 1 102 . 1 . 1 11 11 SER HB3 H 1 3.896 0.005 . 1 . . . . . 225 SER HB3 . 51481 1 103 . 1 . 1 11 11 SER CA C 13 58.469 0.000 . 1 . . . . . 225 SER CA . 51481 1 104 . 1 . 1 11 11 SER CB C 13 63.813 0.000 . 1 . . . . . 225 SER CB . 51481 1 105 . 1 . 1 11 11 SER N N 15 117.892 0.023 . 1 . . . . . 225 SER N . 51481 1 106 . 1 . 1 12 12 VAL H H 1 8.319 0.002 . 1 . . . . . 226 VAL H . 51481 1 107 . 1 . 1 12 12 VAL HA H 1 4.110 0.003 . 1 . . . . . 226 VAL HA . 51481 1 108 . 1 . 1 12 12 VAL HB H 1 2.108 0.002 . 1 . . . . . 226 VAL HB . 51481 1 109 . 1 . 1 12 12 VAL HG11 H 1 0.931 0.008 . 2 . . . . . 226 VAL HG11 . 51481 1 110 . 1 . 1 12 12 VAL HG12 H 1 0.931 0.008 . 2 . . . . . 226 VAL HG12 . 51481 1 111 . 1 . 1 12 12 VAL HG13 H 1 0.931 0.008 . 2 . . . . . 226 VAL HG13 . 51481 1 112 . 1 . 1 12 12 VAL HG21 H 1 0.902 0.002 . 2 . . . . . 226 VAL HG21 . 51481 1 113 . 1 . 1 12 12 VAL HG22 H 1 0.902 0.002 . 2 . . . . . 226 VAL HG22 . 51481 1 114 . 1 . 1 12 12 VAL HG23 H 1 0.902 0.002 . 2 . . . . . 226 VAL HG23 . 51481 1 115 . 1 . 1 12 12 VAL CA C 13 62.789 0.000 . 1 . . . . . 226 VAL CA . 51481 1 116 . 1 . 1 12 12 VAL CB C 13 32.640 0.000 . 1 . . . . . 226 VAL CB . 51481 1 117 . 1 . 1 12 12 VAL CG1 C 13 21.239 0.000 . 2 . . . . . 226 VAL CG1 . 51481 1 118 . 1 . 1 12 12 VAL CG2 C 13 21.168 0.000 . 2 . . . . . 226 VAL CG2 . 51481 1 119 . 1 . 1 12 12 VAL N N 15 121.956 0.049 . 1 . . . . . 226 VAL N . 51481 1 120 . 1 . 1 13 13 GLU H H 1 8.464 0.002 . 1 . . . . . 227 GLU H . 51481 1 121 . 1 . 1 13 13 GLU HA H 1 4.192 0.004 . 1 . . . . . 227 GLU HA . 51481 1 122 . 1 . 1 13 13 GLU HB2 H 1 1.854 0.001 . 2 . . . . . 227 GLU HB2 . 51481 1 123 . 1 . 1 13 13 GLU HB3 H 1 1.888 0.001 . 2 . . . . . 227 GLU HB3 . 51481 1 124 . 1 . 1 13 13 GLU HG2 H 1 2.173 0.010 . 2 . . . . . 227 GLU HG2 . 51481 1 125 . 1 . 1 13 13 GLU HG3 H 1 2.067 0.001 . 2 . . . . . 227 GLU HG3 . 51481 1 126 . 1 . 1 13 13 GLU CA C 13 56.895 0.000 . 1 . . . . . 227 GLU CA . 51481 1 127 . 1 . 1 13 13 GLU CB C 13 30.262 0.008 . 1 . . . . . 227 GLU CB . 51481 1 128 . 1 . 1 13 13 GLU CG C 13 36.231 0.013 . 1 . . . . . 227 GLU CG . 51481 1 129 . 1 . 1 13 13 GLU N N 15 123.835 0.003 . 1 . . . . . 227 GLU N . 51481 1 130 . 1 . 1 14 14 PHE H H 1 8.301 0.002 . 1 . . . . . 228 PHE H . 51481 1 131 . 1 . 1 14 14 PHE HA H 1 4.573 0.002 . 1 . . . . . 228 PHE HA . 51481 1 132 . 1 . 1 14 14 PHE HB2 H 1 3.048 0.001 . 2 . . . . . 228 PHE HB2 . 51481 1 133 . 1 . 1 14 14 PHE HB3 H 1 3.149 0.003 . 2 . . . . . 228 PHE HB3 . 51481 1 134 . 1 . 1 14 14 PHE HD1 H 1 7.237 0.001 . 1 . . . . . 228 PHE HD1 . 51481 1 135 . 1 . 1 14 14 PHE HD2 H 1 7.237 0.001 . 1 . . . . . 228 PHE HD2 . 51481 1 136 . 1 . 1 14 14 PHE HE1 H 1 7.336 0.000 . 1 . . . . . 228 PHE HE1 . 51481 1 137 . 1 . 1 14 14 PHE HE2 H 1 7.336 0.000 . 1 . . . . . 228 PHE HE2 . 51481 1 138 . 1 . 1 14 14 PHE HZ H 1 7.321 0.000 . 1 . . . . . 228 PHE HZ . 51481 1 139 . 1 . 1 14 14 PHE CB C 13 39.422 0.009 . 1 . . . . . 228 PHE CB . 51481 1 140 . 1 . 1 14 14 PHE CD1 C 13 131.909 0.000 . 1 . . . . . 228 PHE CD1 . 51481 1 141 . 1 . 1 14 14 PHE CD2 C 13 131.909 0.000 . 1 . . . . . 228 PHE CD2 . 51481 1 142 . 1 . 1 14 14 PHE CE1 C 13 131.682 0.000 . 1 . . . . . 228 PHE CE1 . 51481 1 143 . 1 . 1 14 14 PHE CE2 C 13 131.682 0.000 . 1 . . . . . 228 PHE CE2 . 51481 1 144 . 1 . 1 14 14 PHE CZ C 13 130.105 0.000 . 1 . . . . . 228 PHE CZ . 51481 1 145 . 1 . 1 14 14 PHE N N 15 121.045 0.005 . 1 . . . . . 228 PHE N . 51481 1 146 . 1 . 1 15 15 MET H H 1 8.217 0.002 . 1 . . . . . 229 MET H . 51481 1 147 . 1 . 1 15 15 MET HA H 1 4.364 0.002 . 1 . . . . . 229 MET HA . 51481 1 148 . 1 . 1 15 15 MET HB2 H 1 1.924 0.001 . 2 . . . . . 229 MET HB2 . 51481 1 149 . 1 . 1 15 15 MET HB3 H 1 1.997 0.001 . 2 . . . . . 229 MET HB3 . 51481 1 150 . 1 . 1 15 15 MET HG2 H 1 2.442 0.001 . 2 . . . . . 229 MET HG2 . 51481 1 151 . 1 . 1 15 15 MET HG3 H 1 2.502 0.002 . 2 . . . . . 229 MET HG3 . 51481 1 152 . 1 . 1 15 15 MET HE1 H 1 2.068 0.000 . 1 . . . . . 229 MET HE1 . 51481 1 153 . 1 . 1 15 15 MET HE2 H 1 2.068 0.000 . 1 . . . . . 229 MET HE2 . 51481 1 154 . 1 . 1 15 15 MET HE3 H 1 2.068 0.000 . 1 . . . . . 229 MET HE3 . 51481 1 155 . 1 . 1 15 15 MET CA C 13 55.579 0.000 . 1 . . . . . 229 MET CA . 51481 1 156 . 1 . 1 15 15 MET CB C 13 32.918 0.033 . 1 . . . . . 229 MET CB . 51481 1 157 . 1 . 1 15 15 MET CG C 13 31.973 0.006 . 1 . . . . . 229 MET CG . 51481 1 158 . 1 . 1 15 15 MET CE C 13 16.939 0.000 . 1 . . . . . 229 MET CE . 51481 1 159 . 1 . 1 15 15 MET N N 15 122.010 0.011 . 1 . . . . . 229 MET N . 51481 1 160 . 1 . 1 16 16 ASP H H 1 8.222 0.002 . 1 . . . . . 230 ASP H . 51481 1 161 . 1 . 1 16 16 ASP HA H 1 4.499 0.001 . 1 . . . . . 230 ASP HA . 51481 1 162 . 1 . 1 16 16 ASP HB2 H 1 2.559 0.001 . 2 . . . . . 230 ASP HB2 . 51481 1 163 . 1 . 1 16 16 ASP HB3 H 1 2.618 0.001 . 2 . . . . . 230 ASP HB3 . 51481 1 164 . 1 . 1 16 16 ASP CA C 13 54.465 0.000 . 1 . . . . . 230 ASP CA . 51481 1 165 . 1 . 1 16 16 ASP CB C 13 41.087 0.000 . 1 . . . . . 230 ASP CB . 51481 1 166 . 1 . 1 16 16 ASP N N 15 121.322 0.004 . 1 . . . . . 230 ASP N . 51481 1 167 . 1 . 1 17 17 PHE H H 1 8.156 0.003 . 1 . . . . . 231 PHE H . 51481 1 168 . 1 . 1 17 17 PHE HA H 1 4.520 0.002 . 1 . . . . . 231 PHE HA . 51481 1 169 . 1 . 1 17 17 PHE HB2 H 1 3.066 0.004 . 2 . . . . . 231 PHE HB2 . 51481 1 170 . 1 . 1 17 17 PHE HB3 H 1 3.129 0.005 . 2 . . . . . 231 PHE HB3 . 51481 1 171 . 1 . 1 17 17 PHE HD1 H 1 7.219 0.002 . 1 . . . . . 231 PHE HD1 . 51481 1 172 . 1 . 1 17 17 PHE HD2 H 1 7.219 0.002 . 1 . . . . . 231 PHE HD2 . 51481 1 173 . 1 . 1 17 17 PHE HE1 H 1 7.340 0.001 . 1 . . . . . 231 PHE HE1 . 51481 1 174 . 1 . 1 17 17 PHE HE2 H 1 7.340 0.001 . 1 . . . . . 231 PHE HE2 . 51481 1 175 . 1 . 1 17 17 PHE HZ H 1 7.297 0.002 . 1 . . . . . 231 PHE HZ . 51481 1 176 . 1 . 1 17 17 PHE CA C 13 58.056 0.000 . 1 . . . . . 231 PHE CA . 51481 1 177 . 1 . 1 17 17 PHE CB C 13 39.403 0.009 . 1 . . . . . 231 PHE CB . 51481 1 178 . 1 . 1 17 17 PHE CD1 C 13 131.935 0.000 . 1 . . . . . 231 PHE CD1 . 51481 1 179 . 1 . 1 17 17 PHE CD2 C 13 131.935 0.000 . 1 . . . . . 231 PHE CD2 . 51481 1 180 . 1 . 1 17 17 PHE CE1 C 13 131.561 0.000 . 1 . . . . . 231 PHE CE1 . 51481 1 181 . 1 . 1 17 17 PHE CE2 C 13 131.561 0.000 . 1 . . . . . 231 PHE CE2 . 51481 1 182 . 1 . 1 17 17 PHE CZ C 13 130.026 0.000 . 1 . . . . . 231 PHE CZ . 51481 1 183 . 1 . 1 17 17 PHE N N 15 120.325 0.023 . 1 . . . . . 231 PHE N . 51481 1 184 . 1 . 1 18 18 ILE H H 1 7.997 0.002 . 1 . . . . . 232 ILE H . 51481 1 185 . 1 . 1 18 18 ILE HA H 1 3.977 0.005 . 1 . . . . . 232 ILE HA . 51481 1 186 . 1 . 1 18 18 ILE HB H 1 1.772 0.004 . 1 . . . . . 232 ILE HB . 51481 1 187 . 1 . 1 18 18 ILE HG12 H 1 1.113 0.003 . 2 . . . . . 232 ILE HG12 . 51481 1 188 . 1 . 1 18 18 ILE HG13 H 1 1.412 0.004 . 2 . . . . . 232 ILE HG13 . 51481 1 189 . 1 . 1 18 18 ILE HG21 H 1 0.810 0.003 . 1 . . . . . 232 ILE HG21 . 51481 1 190 . 1 . 1 18 18 ILE HG22 H 1 0.810 0.003 . 1 . . . . . 232 ILE HG22 . 51481 1 191 . 1 . 1 18 18 ILE HG23 H 1 0.810 0.003 . 1 . . . . . 232 ILE HG23 . 51481 1 192 . 1 . 1 18 18 ILE HD11 H 1 0.819 0.008 . 1 . . . . . 232 ILE HD11 . 51481 1 193 . 1 . 1 18 18 ILE HD12 H 1 0.819 0.008 . 1 . . . . . 232 ILE HD12 . 51481 1 194 . 1 . 1 18 18 ILE HD13 H 1 0.819 0.008 . 1 . . . . . 232 ILE HD13 . 51481 1 195 . 1 . 1 18 18 ILE CA C 13 61.228 0.000 . 1 . . . . . 232 ILE CA . 51481 1 196 . 1 . 1 18 18 ILE CB C 13 38.742 0.000 . 1 . . . . . 232 ILE CB . 51481 1 197 . 1 . 1 18 18 ILE CG1 C 13 27.458 0.037 . 1 . . . . . 232 ILE CG1 . 51481 1 198 . 1 . 1 18 18 ILE CG2 C 13 17.262 0.000 . 1 . . . . . 232 ILE CG2 . 51481 1 199 . 1 . 1 18 18 ILE CD1 C 13 12.703 0.000 . 1 . . . . . 232 ILE CD1 . 51481 1 200 . 1 . 1 18 18 ILE N N 15 123.295 0.001 . 1 . . . . . 232 ILE N . 51481 1 201 . 1 . 1 19 19 ASP H H 1 8.435 0.004 . 1 . . . . . 233 ASP H . 51481 1 202 . 1 . 1 19 19 ASP HA H 1 4.524 0.004 . 1 . . . . . 233 ASP HA . 51481 1 203 . 1 . 1 19 19 ASP HB2 H 1 2.787 0.004 . 2 . . . . . 233 ASP HB2 . 51481 1 204 . 1 . 1 19 19 ASP HB3 H 1 2.642 0.003 . 2 . . . . . 233 ASP HB3 . 51481 1 205 . 1 . 1 19 19 ASP CA C 13 54.566 0.000 . 1 . . . . . 233 ASP CA . 51481 1 206 . 1 . 1 19 19 ASP CB C 13 41.068 0.009 . 1 . . . . . 233 ASP CB . 51481 1 207 . 1 . 1 19 19 ASP N N 15 124.498 0.050 . 1 . . . . . 233 ASP N . 51481 1 208 . 1 . 1 20 20 ARG H H 1 8.488 0.002 . 1 . . . . . 234 ARG H . 51481 1 209 . 1 . 1 20 20 ARG HA H 1 4.338 0.005 . 1 . . . . . 234 ARG HA . 51481 1 210 . 1 . 1 20 20 ARG HB2 H 1 1.723 0.007 . 2 . . . . . 234 ARG HB2 . 51481 1 211 . 1 . 1 20 20 ARG HB3 H 1 1.948 0.000 . 2 . . . . . 234 ARG HB3 . 51481 1 212 . 1 . 1 20 20 ARG HG2 H 1 1.588 0.004 . 2 . . . . . 234 ARG HG2 . 51481 1 213 . 1 . 1 20 20 ARG HG3 H 1 1.659 0.004 . 2 . . . . . 234 ARG HG3 . 51481 1 214 . 1 . 1 20 20 ARG HD2 H 1 3.148 0.003 . 1 . . . . . 234 ARG HD2 . 51481 1 215 . 1 . 1 20 20 ARG HD3 H 1 3.148 0.003 . 1 . . . . . 234 ARG HD3 . 51481 1 216 . 1 . 1 20 20 ARG CA C 13 56.315 0.000 . 1 . . . . . 234 ARG CA . 51481 1 217 . 1 . 1 20 20 ARG CB C 13 30.227 0.012 . 1 . . . . . 234 ARG CB . 51481 1 218 . 1 . 1 20 20 ARG CG C 13 26.999 0.037 . 1 . . . . . 234 ARG CG . 51481 1 219 . 1 . 1 20 20 ARG CD C 13 43.330 0.000 . 1 . . . . . 234 ARG CD . 51481 1 220 . 1 . 1 20 20 ARG N N 15 123.457 0.004 . 1 . . . . . 234 ARG N . 51481 1 221 . 1 . 1 21 21 SER H H 1 8.468 0.002 . 1 . . . . . 235 SER H . 51481 1 222 . 1 . 1 21 21 SER HA H 1 4.395 0.003 . 1 . . . . . 235 SER HA . 51481 1 223 . 1 . 1 21 21 SER HB2 H 1 3.906 0.002 . 1 . . . . . 235 SER HB2 . 51481 1 224 . 1 . 1 21 21 SER HB3 H 1 3.906 0.002 . 1 . . . . . 235 SER HB3 . 51481 1 225 . 1 . 1 21 21 SER CA C 13 59.387 0.000 . 1 . . . . . 235 SER CA . 51481 1 226 . 1 . 1 21 21 SER CB C 13 63.817 0.000 . 1 . . . . . 235 SER CB . 51481 1 227 . 1 . 1 21 21 SER N N 15 116.815 0.000 . 1 . . . . . 235 SER N . 51481 1 228 . 1 . 1 22 22 THR H H 1 8.156 0.001 . 1 . . . . . 236 THR H . 51481 1 229 . 1 . 1 22 22 THR HA H 1 4.304 0.001 . 1 . . . . . 236 THR HA . 51481 1 230 . 1 . 1 22 22 THR HB H 1 4.204 0.007 . 1 . . . . . 236 THR HB . 51481 1 231 . 1 . 1 22 22 THR HG21 H 1 1.206 0.004 . 1 . . . . . 236 THR HG21 . 51481 1 232 . 1 . 1 22 22 THR HG22 H 1 1.206 0.004 . 1 . . . . . 236 THR HG22 . 51481 1 233 . 1 . 1 22 22 THR HG23 H 1 1.206 0.004 . 1 . . . . . 236 THR HG23 . 51481 1 234 . 1 . 1 22 22 THR CA C 13 62.295 0.000 . 1 . . . . . 236 THR CA . 51481 1 235 . 1 . 1 22 22 THR CB C 13 69.680 0.000 . 1 . . . . . 236 THR CB . 51481 1 236 . 1 . 1 22 22 THR CG2 C 13 21.711 0.000 . 1 . . . . . 236 THR CG2 . 51481 1 237 . 1 . 1 22 22 THR N N 15 116.225 0.005 . 1 . . . . . 236 THR N . 51481 1 238 . 1 . 1 23 23 LYS H H 1 8.279 0.002 . 1 . . . . . 237 LYS H . 51481 1 239 . 1 . 1 23 23 LYS HA H 1 4.329 0.004 . 1 . . . . . 237 LYS HA . 51481 1 240 . 1 . 1 23 23 LYS HB2 H 1 1.750 0.011 . 2 . . . . . 237 LYS HB2 . 51481 1 241 . 1 . 1 23 23 LYS HB3 H 1 1.796 0.000 . 2 . . . . . 237 LYS HB3 . 51481 1 242 . 1 . 1 23 23 LYS HG2 H 1 1.393 0.000 . 1 . . . . . 237 LYS HG2 . 51481 1 243 . 1 . 1 23 23 LYS HG3 H 1 1.397 0.007 . 1 . . . . . 237 LYS HG3 . 51481 1 244 . 1 . 1 23 23 LYS HD2 H 1 1.697 0.000 . 1 . . . . . 237 LYS HD2 . 51481 1 245 . 1 . 1 23 23 LYS HD3 H 1 1.697 0.000 . 1 . . . . . 237 LYS HD3 . 51481 1 246 . 1 . 1 23 23 LYS HE2 H 1 2.969 0.000 . 1 . . . . . 237 LYS HE2 . 51481 1 247 . 1 . 1 23 23 LYS HE3 H 1 2.969 0.000 . 1 . . . . . 237 LYS HE3 . 51481 1 248 . 1 . 1 23 23 LYS CB C 13 33.211 0.003 . 1 . . . . . 237 LYS CB . 51481 1 249 . 1 . 1 23 23 LYS CG C 13 24.768 0.000 . 1 . . . . . 237 LYS CG . 51481 1 250 . 1 . 1 23 23 LYS CD C 13 29.059 0.000 . 1 . . . . . 237 LYS CD . 51481 1 251 . 1 . 1 23 23 LYS CE C 13 42.072 0.000 . 1 . . . . . 237 LYS CE . 51481 1 252 . 1 . 1 23 23 LYS N N 15 124.591 0.008 . 1 . . . . . 237 LYS N . 51481 1 253 . 1 . 1 24 24 VAL H H 1 8.314 0.001 . 1 . . . . . 238 VAL H . 51481 1 254 . 1 . 1 24 24 VAL HA H 1 4.041 0.002 . 1 . . . . . 238 VAL HA . 51481 1 255 . 1 . 1 24 24 VAL HB H 1 2.018 0.004 . 1 . . . . . 238 VAL HB . 51481 1 256 . 1 . 1 24 24 VAL HG11 H 1 0.897 0.002 . 2 . . . . . 238 VAL HG11 . 51481 1 257 . 1 . 1 24 24 VAL HG12 H 1 0.897 0.002 . 2 . . . . . 238 VAL HG12 . 51481 1 258 . 1 . 1 24 24 VAL HG13 H 1 0.897 0.002 . 2 . . . . . 238 VAL HG13 . 51481 1 259 . 1 . 1 24 24 VAL HG21 H 1 0.940 0.002 . 2 . . . . . 238 VAL HG21 . 51481 1 260 . 1 . 1 24 24 VAL HG22 H 1 0.940 0.002 . 2 . . . . . 238 VAL HG22 . 51481 1 261 . 1 . 1 24 24 VAL HG23 H 1 0.940 0.002 . 2 . . . . . 238 VAL HG23 . 51481 1 262 . 1 . 1 24 24 VAL CA C 13 62.669 0.000 . 1 . . . . . 238 VAL CA . 51481 1 263 . 1 . 1 24 24 VAL CB C 13 32.767 0.000 . 1 . . . . . 238 VAL CB . 51481 1 264 . 1 . 1 24 24 VAL CG1 C 13 21.230 0.000 . 2 . . . . . 238 VAL CG1 . 51481 1 265 . 1 . 1 24 24 VAL CG2 C 13 21.063 0.000 . 2 . . . . . 238 VAL CG2 . 51481 1 266 . 1 . 1 24 24 VAL N N 15 123.364 0.001 . 1 . . . . . 238 VAL N . 51481 1 267 . 1 . 1 25 25 ILE H H 1 8.396 0.003 . 1 . . . . . 239 ILE H . 51481 1 268 . 1 . 1 25 25 ILE HA H 1 4.138 0.003 . 1 . . . . . 239 ILE HA . 51481 1 269 . 1 . 1 25 25 ILE HB H 1 1.838 0.001 . 1 . . . . . 239 ILE HB . 51481 1 270 . 1 . 1 25 25 ILE HG12 H 1 1.188 0.009 . 2 . . . . . 239 ILE HG12 . 51481 1 271 . 1 . 1 25 25 ILE HG13 H 1 1.477 0.004 . 2 . . . . . 239 ILE HG13 . 51481 1 272 . 1 . 1 25 25 ILE HG21 H 1 0.885 0.003 . 1 . . . . . 239 ILE HG21 . 51481 1 273 . 1 . 1 25 25 ILE HG22 H 1 0.885 0.003 . 1 . . . . . 239 ILE HG22 . 51481 1 274 . 1 . 1 25 25 ILE HG23 H 1 0.885 0.003 . 1 . . . . . 239 ILE HG23 . 51481 1 275 . 1 . 1 25 25 ILE HD11 H 1 0.888 0.002 . 1 . . . . . 239 ILE HD11 . 51481 1 276 . 1 . 1 25 25 ILE HD12 H 1 0.888 0.002 . 1 . . . . . 239 ILE HD12 . 51481 1 277 . 1 . 1 25 25 ILE HD13 H 1 0.888 0.002 . 1 . . . . . 239 ILE HD13 . 51481 1 278 . 1 . 1 25 25 ILE CA C 13 60.952 0.000 . 1 . . . . . 239 ILE CA . 51481 1 279 . 1 . 1 25 25 ILE CB C 13 38.581 0.000 . 1 . . . . . 239 ILE CB . 51481 1 280 . 1 . 1 25 25 ILE CG1 C 13 27.446 0.002 . 1 . . . . . 239 ILE CG1 . 51481 1 281 . 1 . 1 25 25 ILE CG2 C 13 17.449 0.000 . 1 . . . . . 239 ILE CG2 . 51481 1 282 . 1 . 1 25 25 ILE CD1 C 13 13.428 0.000 . 1 . . . . . 239 ILE CD1 . 51481 1 283 . 1 . 1 25 25 ILE N N 15 126.363 0.020 . 1 . . . . . 239 ILE N . 51481 1 284 . 1 . 1 26 26 GLU H H 1 8.595 0.005 . 1 . . . . . 240 GLU H . 51481 1 285 . 1 . 1 26 26 GLU HA H 1 4.258 0.003 . 1 . . . . . 240 GLU HA . 51481 1 286 . 1 . 1 26 26 GLU HB2 H 1 1.916 0.003 . 2 . . . . . 240 GLU HB2 . 51481 1 287 . 1 . 1 26 26 GLU HB3 H 1 2.006 0.002 . 2 . . . . . 240 GLU HB3 . 51481 1 288 . 1 . 1 26 26 GLU HG2 H 1 2.223 0.005 . 2 . . . . . 240 GLU HG2 . 51481 1 289 . 1 . 1 26 26 GLU HG3 H 1 2.278 0.009 . 2 . . . . . 240 GLU HG3 . 51481 1 290 . 1 . 1 26 26 GLU CA C 13 56.971 0.000 . 1 . . . . . 240 GLU CA . 51481 1 291 . 1 . 1 26 26 GLU CB C 13 30.402 0.011 . 1 . . . . . 240 GLU CB . 51481 1 292 . 1 . 1 26 26 GLU CG C 13 36.280 0.008 . 1 . . . . . 240 GLU CG . 51481 1 293 . 1 . 1 26 26 GLU N N 15 126.500 0.010 . 1 . . . . . 240 GLU N . 51481 1 294 . 1 . 1 27 27 LYS H H 1 8.427 0.001 . 1 . . . . . 241 LYS H . 51481 1 295 . 1 . 1 27 27 LYS HA H 1 4.261 0.002 . 1 . . . . . 241 LYS HA . 51481 1 296 . 1 . 1 27 27 LYS HB2 H 1 1.741 0.014 . 2 . . . . . 241 LYS HB2 . 51481 1 297 . 1 . 1 27 27 LYS HB3 H 1 1.787 0.003 . 2 . . . . . 241 LYS HB3 . 51481 1 298 . 1 . 1 27 27 LYS HG2 H 1 1.426 0.001 . 1 . . . . . 241 LYS HG2 . 51481 1 299 . 1 . 1 27 27 LYS HG3 H 1 1.428 0.004 . 1 . . . . . 241 LYS HG3 . 51481 1 300 . 1 . 1 27 27 LYS HD2 H 1 1.656 0.005 . 1 . . . . . 241 LYS HD2 . 51481 1 301 . 1 . 1 27 27 LYS HD3 H 1 1.656 0.004 . 1 . . . . . 241 LYS HD3 . 51481 1 302 . 1 . 1 27 27 LYS HE2 H 1 2.964 0.000 . 1 . . . . . 241 LYS HE2 . 51481 1 303 . 1 . 1 27 27 LYS HE3 H 1 2.974 0.005 . 1 . . . . . 241 LYS HE3 . 51481 1 304 . 1 . 1 27 27 LYS CA C 13 56.434 0.000 . 1 . . . . . 241 LYS CA . 51481 1 305 . 1 . 1 27 27 LYS CB C 13 33.186 0.009 . 1 . . . . . 241 LYS CB . 51481 1 306 . 1 . 1 27 27 LYS CG C 13 24.771 0.000 . 1 . . . . . 241 LYS CG . 51481 1 307 . 1 . 1 27 27 LYS CD C 13 29.114 0.000 . 1 . . . . . 241 LYS CD . 51481 1 308 . 1 . 1 27 27 LYS CE C 13 42.154 0.000 . 1 . . . . . 241 LYS CE . 51481 1 309 . 1 . 1 27 27 LYS N N 15 123.530 0.000 . 1 . . . . . 241 LYS N . 51481 1 310 . 1 . 1 28 28 ALA H H 1 8.486 0.002 . 1 . . . . . 242 ALA H . 51481 1 311 . 1 . 1 28 28 ALA HA H 1 4.296 0.005 . 1 . . . . . 242 ALA HA . 51481 1 312 . 1 . 1 28 28 ALA HB1 H 1 1.393 0.004 . 1 . . . . . 242 ALA HB1 . 51481 1 313 . 1 . 1 28 28 ALA HB2 H 1 1.393 0.004 . 1 . . . . . 242 ALA HB2 . 51481 1 314 . 1 . 1 28 28 ALA HB3 H 1 1.393 0.004 . 1 . . . . . 242 ALA HB3 . 51481 1 315 . 1 . 1 28 28 ALA CA C 13 53.140 0.000 . 1 . . . . . 242 ALA CA . 51481 1 316 . 1 . 1 28 28 ALA CB C 13 19.142 0.000 . 1 . . . . . 242 ALA CB . 51481 1 317 . 1 . 1 28 28 ALA N N 15 126.395 0.014 . 1 . . . . . 242 ALA N . 51481 1 318 . 1 . 1 29 29 LEU H H 1 8.402 0.001 . 1 . . . . . 243 LEU H . 51481 1 319 . 1 . 1 29 29 LEU HA H 1 4.308 0.001 . 1 . . . . . 243 LEU HA . 51481 1 320 . 1 . 1 29 29 LEU HB2 H 1 1.572 0.001 . 2 . . . . . 243 LEU HB2 . 51481 1 321 . 1 . 1 29 29 LEU HB3 H 1 1.654 0.001 . 2 . . . . . 243 LEU HB3 . 51481 1 322 . 1 . 1 29 29 LEU CA C 13 55.262 0.000 . 1 . . . . . 243 LEU CA . 51481 1 323 . 1 . 1 29 29 LEU CB C 13 42.297 0.000 . 1 . . . . . 243 LEU CB . 51481 1 324 . 1 . 1 29 29 LEU N N 15 121.974 0.009 . 1 . . . . . 243 LEU N . 51481 1 325 . 1 . 1 30 30 ASP H H 1 8.398 0.006 . 1 . . . . . 244 ASP H . 51481 1 326 . 1 . 1 30 30 ASP HA H 1 4.555 0.001 . 1 . . . . . 244 ASP HA . 51481 1 327 . 1 . 1 30 30 ASP HB2 H 1 2.700 0.001 . 2 . . . . . 244 ASP HB2 . 51481 1 328 . 1 . 1 30 30 ASP HB3 H 1 2.631 0.000 . 2 . . . . . 244 ASP HB3 . 51481 1 329 . 1 . 1 30 30 ASP CA C 13 58.085 0.000 . 1 . . . . . 244 ASP CA . 51481 1 330 . 1 . 1 30 30 ASP CB C 13 41.055 0.002 . 1 . . . . . 244 ASP CB . 51481 1 331 . 1 . 1 30 30 ASP N N 15 120.863 0.049 . 1 . . . . . 244 ASP N . 51481 1 332 . 1 . 1 31 31 GLN H H 1 8.271 0.005 . 1 . . . . . 245 GLN H . 51481 1 333 . 1 . 1 31 31 GLN HA H 1 4.290 0.002 . 1 . . . . . 245 GLN HA . 51481 1 334 . 1 . 1 31 31 GLN HB2 H 1 2.047 0.002 . 2 . . . . . 245 GLN HB2 . 51481 1 335 . 1 . 1 31 31 GLN HB3 H 1 1.933 0.002 . 2 . . . . . 245 GLN HB3 . 51481 1 336 . 1 . 1 31 31 GLN HG2 H 1 2.292 0.007 . 1 . . . . . 245 GLN HG2 . 51481 1 337 . 1 . 1 31 31 GLN HG3 H 1 2.286 0.007 . 1 . . . . . 245 GLN HG3 . 51481 1 338 . 1 . 1 31 31 GLN HE21 H 1 6.918 0.003 . 1 . . . . . 245 GLN HE21 . 51481 1 339 . 1 . 1 31 31 GLN HE22 H 1 7.622 0.001 . 1 . . . . . 245 GLN HE22 . 51481 1 340 . 1 . 1 31 31 GLN CA C 13 55.683 0.000 . 1 . . . . . 245 GLN CA . 51481 1 341 . 1 . 1 31 31 GLN CB C 13 29.640 0.020 . 1 . . . . . 245 GLN CB . 51481 1 342 . 1 . 1 31 31 GLN CG C 13 33.738 0.000 . 1 . . . . . 245 GLN CG . 51481 1 343 . 1 . 1 31 31 GLN N N 15 120.202 0.069 . 1 . . . . . 245 GLN N . 51481 1 344 . 1 . 1 31 31 GLN NE2 N 15 113.100 0.039 . 1 . . . . . 245 GLN NE2 . 51481 1 345 . 1 . 1 32 32 GLU H H 1 8.479 0.003 . 1 . . . . . 246 GLU H . 51481 1 346 . 1 . 1 32 32 GLU HA H 1 4.209 0.000 . 1 . . . . . 246 GLU HA . 51481 1 347 . 1 . 1 32 32 GLU HB2 H 1 1.950 0.000 . 2 . . . . . 246 GLU HB2 . 51481 1 348 . 1 . 1 32 32 GLU HB3 H 1 1.878 0.000 . 2 . . . . . 246 GLU HB3 . 51481 1 349 . 1 . 1 32 32 GLU HG2 H 1 2.122 0.006 . 2 . . . . . 246 GLU HG2 . 51481 1 350 . 1 . 1 32 32 GLU HG3 H 1 2.210 0.009 . 2 . . . . . 246 GLU HG3 . 51481 1 351 . 1 . 1 32 32 GLU CA C 13 56.766 0.000 . 1 . . . . . 246 GLU CA . 51481 1 352 . 1 . 1 32 32 GLU CB C 13 30.354 0.020 . 1 . . . . . 246 GLU CB . 51481 1 353 . 1 . 1 32 32 GLU CG C 13 36.271 0.013 . 1 . . . . . 246 GLU CG . 51481 1 354 . 1 . 1 32 32 GLU N N 15 121.965 0.003 . 1 . . . . . 246 GLU N . 51481 1 355 . 1 . 1 33 33 TYR H H 1 8.197 0.001 . 1 . . . . . 247 TYR H . 51481 1 356 . 1 . 1 33 33 TYR HA H 1 4.527 0.001 . 1 . . . . . 247 TYR HA . 51481 1 357 . 1 . 1 33 33 TYR HB2 H 1 2.918 0.003 . 2 . . . . . 247 TYR HB2 . 51481 1 358 . 1 . 1 33 33 TYR HB3 H 1 3.028 0.005 . 2 . . . . . 247 TYR HB3 . 51481 1 359 . 1 . 1 33 33 TYR HD1 H 1 7.089 0.002 . 1 . . . . . 247 TYR HD1 . 51481 1 360 . 1 . 1 33 33 TYR HD2 H 1 7.089 0.002 . 1 . . . . . 247 TYR HD2 . 51481 1 361 . 1 . 1 33 33 TYR HE1 H 1 6.797 0.003 . 1 . . . . . 247 TYR HE1 . 51481 1 362 . 1 . 1 33 33 TYR HE2 H 1 6.797 0.003 . 1 . . . . . 247 TYR HE2 . 51481 1 363 . 1 . 1 33 33 TYR CB C 13 39.205 0.010 . 1 . . . . . 247 TYR CB . 51481 1 364 . 1 . 1 33 33 TYR CD1 C 13 133.353 0.000 . 1 . . . . . 247 TYR CD1 . 51481 1 365 . 1 . 1 33 33 TYR CD2 C 13 133.353 0.000 . 1 . . . . . 247 TYR CD2 . 51481 1 366 . 1 . 1 33 33 TYR CE1 C 13 118.290 0.000 . 1 . . . . . 247 TYR CE1 . 51481 1 367 . 1 . 1 33 33 TYR CE2 C 13 118.290 0.000 . 1 . . . . . 247 TYR CE2 . 51481 1 368 . 1 . 1 33 33 TYR N N 15 120.929 0.000 . 1 . . . . . 247 TYR N . 51481 1 369 . 1 . 1 34 34 ASP H H 1 8.331 0.003 . 1 . . . . . 248 ASP H . 51481 1 370 . 1 . 1 34 34 ASP HA H 1 4.593 0.004 . 1 . . . . . 248 ASP HA . 51481 1 371 . 1 . 1 34 34 ASP HB2 H 1 2.541 0.002 . 2 . . . . . 248 ASP HB2 . 51481 1 372 . 1 . 1 34 34 ASP HB3 H 1 2.692 0.002 . 2 . . . . . 248 ASP HB3 . 51481 1 373 . 1 . 1 34 34 ASP CA C 13 54.024 0.000 . 1 . . . . . 248 ASP CA . 51481 1 374 . 1 . 1 34 34 ASP CB C 13 41.228 0.008 . 1 . . . . . 248 ASP CB . 51481 1 375 . 1 . 1 34 34 ASP N N 15 123.164 0.031 . 1 . . . . . 248 ASP N . 51481 1 376 . 1 . 1 35 35 ILE H H 1 8.170 0.001 . 1 . . . . . 249 ILE H . 51481 1 377 . 1 . 1 35 35 ILE HA H 1 4.112 0.002 . 1 . . . . . 249 ILE HA . 51481 1 378 . 1 . 1 35 35 ILE HB H 1 1.899 0.002 . 1 . . . . . 249 ILE HB . 51481 1 379 . 1 . 1 35 35 ILE HG12 H 1 1.216 0.001 . 1 . . . . . 249 ILE HG12 . 51481 1 380 . 1 . 1 35 35 ILE HG13 H 1 1.216 0.001 . 1 . . . . . 249 ILE HG13 . 51481 1 381 . 1 . 1 35 35 ILE HG21 H 1 0.922 0.004 . 1 . . . . . 249 ILE HG21 . 51481 1 382 . 1 . 1 35 35 ILE HG22 H 1 0.922 0.004 . 1 . . . . . 249 ILE HG22 . 51481 1 383 . 1 . 1 35 35 ILE HG23 H 1 0.922 0.004 . 1 . . . . . 249 ILE HG23 . 51481 1 384 . 1 . 1 35 35 ILE HD11 H 1 0.911 0.001 . 1 . . . . . 249 ILE HD11 . 51481 1 385 . 1 . 1 35 35 ILE HD12 H 1 0.911 0.001 . 1 . . . . . 249 ILE HD12 . 51481 1 386 . 1 . 1 35 35 ILE HD13 H 1 0.911 0.001 . 1 . . . . . 249 ILE HD13 . 51481 1 387 . 1 . 1 35 35 ILE CA C 13 61.834 0.000 . 1 . . . . . 249 ILE CA . 51481 1 388 . 1 . 1 35 35 ILE CB C 13 38.772 0.000 . 1 . . . . . 249 ILE CB . 51481 1 389 . 1 . 1 35 35 ILE CG1 C 13 27.485 0.000 . 1 . . . . . 249 ILE CG1 . 51481 1 390 . 1 . 1 35 35 ILE CG2 C 13 17.551 0.000 . 1 . . . . . 249 ILE CG2 . 51481 1 391 . 1 . 1 35 35 ILE CD1 C 13 13.382 0.000 . 1 . . . . . 249 ILE CD1 . 51481 1 392 . 1 . 1 35 35 ILE N N 15 121.990 0.002 . 1 . . . . . 249 ILE N . 51481 1 393 . 1 . 1 36 36 LEU H H 1 8.374 0.004 . 1 . . . . . 250 LEU H . 51481 1 394 . 1 . 1 36 36 LEU HA H 1 4.374 0.002 . 1 . . . . . 250 LEU HA . 51481 1 395 . 1 . 1 36 36 LEU HB2 H 1 1.557 0.002 . 2 . . . . . 250 LEU HB2 . 51481 1 396 . 1 . 1 36 36 LEU HB3 H 1 1.726 0.004 . 2 . . . . . 250 LEU HB3 . 51481 1 397 . 1 . 1 36 36 LEU HG H 1 1.626 0.001 . 1 . . . . . 250 LEU HG . 51481 1 398 . 1 . 1 36 36 LEU HD11 H 1 0.929 0.003 . 2 . . . . . 250 LEU HD11 . 51481 1 399 . 1 . 1 36 36 LEU HD12 H 1 0.929 0.003 . 2 . . . . . 250 LEU HD12 . 51481 1 400 . 1 . 1 36 36 LEU HD13 H 1 0.929 0.003 . 2 . . . . . 250 LEU HD13 . 51481 1 401 . 1 . 1 36 36 LEU HD21 H 1 0.856 0.002 . 2 . . . . . 250 LEU HD21 . 51481 1 402 . 1 . 1 36 36 LEU HD22 H 1 0.856 0.002 . 2 . . . . . 250 LEU HD22 . 51481 1 403 . 1 . 1 36 36 LEU HD23 H 1 0.856 0.002 . 2 . . . . . 250 LEU HD23 . 51481 1 404 . 1 . 1 36 36 LEU CA C 13 55.468 0.000 . 1 . . . . . 250 LEU CA . 51481 1 405 . 1 . 1 36 36 LEU CB C 13 42.054 0.019 . 1 . . . . . 250 LEU CB . 51481 1 406 . 1 . 1 36 36 LEU CG C 13 27.079 0.000 . 1 . . . . . 250 LEU CG . 51481 1 407 . 1 . 1 36 36 LEU CD1 C 13 25.017 0.000 . 2 . . . . . 250 LEU CD1 . 51481 1 408 . 1 . 1 36 36 LEU CD2 C 13 23.365 0.000 . 2 . . . . . 250 LEU CD2 . 51481 1 409 . 1 . 1 36 36 LEU N N 15 124.855 0.124 . 1 . . . . . 250 LEU N . 51481 1 410 . 1 . 1 37 37 THR H H 1 8.012 0.005 . 1 . . . . . 251 THR H . 51481 1 411 . 1 . 1 37 37 THR HA H 1 4.184 0.002 . 1 . . . . . 251 THR HA . 51481 1 412 . 1 . 1 37 37 THR HB H 1 4.071 0.002 . 1 . . . . . 251 THR HB . 51481 1 413 . 1 . 1 37 37 THR HG21 H 1 1.001 0.003 . 1 . . . . . 251 THR HG21 . 51481 1 414 . 1 . 1 37 37 THR HG22 H 1 1.001 0.003 . 1 . . . . . 251 THR HG22 . 51481 1 415 . 1 . 1 37 37 THR HG23 H 1 1.001 0.003 . 1 . . . . . 251 THR HG23 . 51481 1 416 . 1 . 1 37 37 THR CA C 13 62.162 0.000 . 1 . . . . . 251 THR CA . 51481 1 417 . 1 . 1 37 37 THR CB C 13 69.773 0.000 . 1 . . . . . 251 THR CB . 51481 1 418 . 1 . 1 37 37 THR CG2 C 13 21.440 0.000 . 1 . . . . . 251 THR CG2 . 51481 1 419 . 1 . 1 37 37 THR N N 15 115.012 0.062 . 1 . . . . . 251 THR N . 51481 1 420 . 1 . 1 38 38 ASP H H 1 8.189 0.004 . 1 . . . . . 252 ASP H . 51481 1 421 . 1 . 1 38 38 ASP HA H 1 4.606 0.001 . 1 . . . . . 252 ASP HA . 51481 1 422 . 1 . 1 38 38 ASP HB2 H 1 2.546 0.003 . 2 . . . . . 252 ASP HB2 . 51481 1 423 . 1 . 1 38 38 ASP HB3 H 1 2.749 0.002 . 2 . . . . . 252 ASP HB3 . 51481 1 424 . 1 . 1 38 38 ASP CA C 13 53.861 0.000 . 1 . . . . . 252 ASP CA . 51481 1 425 . 1 . 1 38 38 ASP CB C 13 41.007 0.026 . 1 . . . . . 252 ASP CB . 51481 1 426 . 1 . 1 38 38 ASP N N 15 122.792 0.033 . 1 . . . . . 252 ASP N . 51481 1 427 . 1 . 1 39 39 TYR H H 1 8.350 0.004 . 1 . . . . . 253 TYR H . 51481 1 428 . 1 . 1 39 39 TYR HA H 1 4.527 0.005 . 1 . . . . . 253 TYR HA . 51481 1 429 . 1 . 1 39 39 TYR HB2 H 1 3.145 0.004 . 2 . . . . . 253 TYR HB2 . 51481 1 430 . 1 . 1 39 39 TYR HB3 H 1 2.955 0.005 . 2 . . . . . 253 TYR HB3 . 51481 1 431 . 1 . 1 39 39 TYR HD1 H 1 7.116 0.003 . 1 . . . . . 253 TYR HD1 . 51481 1 432 . 1 . 1 39 39 TYR HD2 H 1 7.116 0.003 . 1 . . . . . 253 TYR HD2 . 51481 1 433 . 1 . 1 39 39 TYR HE1 H 1 6.819 0.002 . 1 . . . . . 253 TYR HE1 . 51481 1 434 . 1 . 1 39 39 TYR HE2 H 1 6.819 0.002 . 1 . . . . . 253 TYR HE2 . 51481 1 435 . 1 . 1 39 39 TYR CA C 13 58.753 0.000 . 1 . . . . . 253 TYR CA . 51481 1 436 . 1 . 1 39 39 TYR CB C 13 38.311 0.020 . 1 . . . . . 253 TYR CB . 51481 1 437 . 1 . 1 39 39 TYR CD1 C 13 133.237 0.000 . 1 . . . . . 253 TYR CD1 . 51481 1 438 . 1 . 1 39 39 TYR CD2 C 13 133.237 0.000 . 1 . . . . . 253 TYR CD2 . 51481 1 439 . 1 . 1 39 39 TYR CE1 C 13 118.419 0.000 . 1 . . . . . 253 TYR CE1 . 51481 1 440 . 1 . 1 39 39 TYR CE2 C 13 118.419 0.000 . 1 . . . . . 253 TYR CE2 . 51481 1 441 . 1 . 1 39 39 TYR N N 15 122.837 0.064 . 1 . . . . . 253 TYR N . 51481 1 442 . 1 . 1 40 40 THR H H 1 8.243 0.002 . 1 . . . . . 254 THR H . 51481 1 443 . 1 . 1 40 40 THR HA H 1 4.201 0.002 . 1 . . . . . 254 THR HA . 51481 1 444 . 1 . 1 40 40 THR HB H 1 4.161 0.000 . 1 . . . . . 254 THR HB . 51481 1 445 . 1 . 1 40 40 THR HG21 H 1 1.186 0.001 . 1 . . . . . 254 THR HG21 . 51481 1 446 . 1 . 1 40 40 THR HG22 H 1 1.186 0.001 . 1 . . . . . 254 THR HG22 . 51481 1 447 . 1 . 1 40 40 THR HG23 H 1 1.186 0.001 . 1 . . . . . 254 THR HG23 . 51481 1 448 . 1 . 1 40 40 THR CA C 13 62.947 0.000 . 1 . . . . . 254 THR CA . 51481 1 449 . 1 . 1 40 40 THR CB C 13 69.695 0.000 . 1 . . . . . 254 THR CB . 51481 1 450 . 1 . 1 40 40 THR CG2 C 13 21.611 0.000 . 1 . . . . . 254 THR CG2 . 51481 1 451 . 1 . 1 40 40 THR N N 15 115.300 0.043 . 1 . . . . . 254 THR N . 51481 1 452 . 1 . 1 41 41 LEU H H 1 7.931 0.002 . 1 . . . . . 255 LEU H . 51481 1 453 . 1 . 1 41 41 LEU HA H 1 4.309 0.002 . 1 . . . . . 255 LEU HA . 51481 1 454 . 1 . 1 41 41 LEU HB2 H 1 1.582 0.001 . 2 . . . . . 255 LEU HB2 . 51481 1 455 . 1 . 1 41 41 LEU HB3 H 1 1.642 0.001 . 2 . . . . . 255 LEU HB3 . 51481 1 456 . 1 . 1 41 41 LEU HD11 H 1 0.866 0.002 . 2 . . . . . 255 LEU HD11 . 51481 1 457 . 1 . 1 41 41 LEU HD12 H 1 0.866 0.002 . 2 . . . . . 255 LEU HD12 . 51481 1 458 . 1 . 1 41 41 LEU HD13 H 1 0.866 0.002 . 2 . . . . . 255 LEU HD13 . 51481 1 459 . 1 . 1 41 41 LEU HD21 H 1 0.936 0.003 . 2 . . . . . 255 LEU HD21 . 51481 1 460 . 1 . 1 41 41 LEU HD22 H 1 0.936 0.003 . 2 . . . . . 255 LEU HD22 . 51481 1 461 . 1 . 1 41 41 LEU HD23 H 1 0.936 0.003 . 2 . . . . . 255 LEU HD23 . 51481 1 462 . 1 . 1 41 41 LEU CA C 13 55.568 0.000 . 1 . . . . . 255 LEU CA . 51481 1 463 . 1 . 1 41 41 LEU CB C 13 42.273 0.005 . 1 . . . . . 255 LEU CB . 51481 1 464 . 1 . 1 41 41 LEU CD1 C 13 23.391 0.000 . 2 . . . . . 255 LEU CD1 . 51481 1 465 . 1 . 1 41 41 LEU CD2 C 13 25.039 0.000 . 2 . . . . . 255 LEU CD2 . 51481 1 466 . 1 . 1 41 41 LEU N N 15 123.703 0.046 . 1 . . . . . 255 LEU N . 51481 1 467 . 1 . 1 42 42 GLN H H 1 8.246 0.004 . 1 . . . . . 256 GLN H . 51481 1 468 . 1 . 1 42 42 GLN HA H 1 4.307 0.003 . 1 . . . . . 256 GLN HA . 51481 1 469 . 1 . 1 42 42 GLN HB2 H 1 1.932 0.001 . 2 . . . . . 256 GLN HB2 . 51481 1 470 . 1 . 1 42 42 GLN HB3 H 1 2.003 0.001 . 2 . . . . . 256 GLN HB3 . 51481 1 471 . 1 . 1 42 42 GLN HG2 H 1 2.296 0.008 . 1 . . . . . 256 GLN HG2 . 51481 1 472 . 1 . 1 42 42 GLN HG3 H 1 2.302 0.007 . 1 . . . . . 256 GLN HG3 . 51481 1 473 . 1 . 1 42 42 GLN HE21 H 1 7.571 0.001 . 1 . . . . . 256 GLN HE21 . 51481 1 474 . 1 . 1 42 42 GLN HE22 H 1 6.912 0.001 . 1 . . . . . 256 GLN HE22 . 51481 1 475 . 1 . 1 42 42 GLN CB C 13 30.298 0.020 . 1 . . . . . 256 GLN CB . 51481 1 476 . 1 . 1 42 42 GLN CG C 13 33.787 0.000 . 1 . . . . . 256 GLN CG . 51481 1 477 . 1 . 1 42 42 GLN N N 15 121.789 0.046 . 1 . . . . . 256 GLN N . 51481 1 478 . 1 . 1 42 42 GLN NE2 N 15 112.981 0.012 . 1 . . . . . 256 GLN NE2 . 51481 1 479 . 1 . 1 43 43 VAL H H 1 8.217 0.003 . 1 . . . . . 257 VAL H . 51481 1 480 . 1 . 1 43 43 VAL HA H 1 4.053 0.005 . 1 . . . . . 257 VAL HA . 51481 1 481 . 1 . 1 43 43 VAL HB H 1 1.955 0.004 . 1 . . . . . 257 VAL HB . 51481 1 482 . 1 . 1 43 43 VAL HG11 H 1 0.869 0.005 . 2 . . . . . 257 VAL HG11 . 51481 1 483 . 1 . 1 43 43 VAL HG12 H 1 0.869 0.005 . 2 . . . . . 257 VAL HG12 . 51481 1 484 . 1 . 1 43 43 VAL HG13 H 1 0.869 0.005 . 2 . . . . . 257 VAL HG13 . 51481 1 485 . 1 . 1 43 43 VAL HG21 H 1 0.872 0.001 . 2 . . . . . 257 VAL HG21 . 51481 1 486 . 1 . 1 43 43 VAL HG22 H 1 0.872 0.001 . 2 . . . . . 257 VAL HG22 . 51481 1 487 . 1 . 1 43 43 VAL HG23 H 1 0.872 0.001 . 2 . . . . . 257 VAL HG23 . 51481 1 488 . 1 . 1 43 43 VAL CA C 13 62.344 0.000 . 1 . . . . . 257 VAL CA . 51481 1 489 . 1 . 1 43 43 VAL CB C 13 32.919 0.000 . 1 . . . . . 257 VAL CB . 51481 1 490 . 1 . 1 43 43 VAL CG1 C 13 20.010 0.000 . 2 . . . . . 257 VAL CG1 . 51481 1 491 . 1 . 1 43 43 VAL CG2 C 13 20.401 0.000 . 2 . . . . . 257 VAL CG2 . 51481 1 492 . 1 . 1 43 43 VAL N N 15 121.890 0.059 . 1 . . . . . 257 VAL N . 51481 1 493 . 1 . 1 44 44 HIS H H 1 8.469 0.005 . 1 . . . . . 258 HIS H . 51481 1 494 . 1 . 1 44 44 HIS HA H 1 4.722 0.005 . 1 . . . . . 258 HIS HA . 51481 1 495 . 1 . 1 44 44 HIS HB2 H 1 3.026 0.006 . 2 . . . . . 258 HIS HB2 . 51481 1 496 . 1 . 1 44 44 HIS HB3 H 1 3.152 0.005 . 2 . . . . . 258 HIS HB3 . 51481 1 497 . 1 . 1 44 44 HIS HD2 H 1 7.034 0.002 . 1 . . . . . 258 HIS HD2 . 51481 1 498 . 1 . 1 44 44 HIS HE1 H 1 7.906 0.004 . 1 . . . . . 258 HIS HE1 . 51481 1 499 . 1 . 1 44 44 HIS CA C 13 55.745 0.000 . 1 . . . . . 258 HIS CA . 51481 1 500 . 1 . 1 44 44 HIS CB C 13 31.110 0.014 . 1 . . . . . 258 HIS CB . 51481 1 501 . 1 . 1 44 44 HIS CD2 C 13 120.118 0.000 . 1 . . . . . 258 HIS CD2 . 51481 1 502 . 1 . 1 44 44 HIS CE1 C 13 138.119 0.000 . 1 . . . . . 258 HIS CE1 . 51481 1 503 . 1 . 1 44 44 HIS N N 15 123.695 0.045 . 1 . . . . . 258 HIS N . 51481 1 504 . 1 . 1 45 45 ASP H H 1 8.500 0.005 . 1 . . . . . 259 ASP H . 51481 1 505 . 1 . 1 45 45 ASP HA H 1 4.638 0.005 . 1 . . . . . 259 ASP HA . 51481 1 506 . 1 . 1 45 45 ASP HB2 H 1 2.572 0.002 . 2 . . . . . 259 ASP HB2 . 51481 1 507 . 1 . 1 45 45 ASP HB3 H 1 2.727 0.002 . 2 . . . . . 259 ASP HB3 . 51481 1 508 . 1 . 1 45 45 ASP CA C 13 54.609 0.000 . 1 . . . . . 259 ASP CA . 51481 1 509 . 1 . 1 45 45 ASP CB C 13 41.034 0.050 . 1 . . . . . 259 ASP CB . 51481 1 510 . 1 . 1 45 45 ASP N N 15 122.904 0.022 . 1 . . . . . 259 ASP N . 51481 1 511 . 1 . 1 46 46 VAL H H 1 7.765 0.002 . 1 . . . . . 260 VAL H . 51481 1 512 . 1 . 1 46 46 VAL HA H 1 4.045 0.003 . 1 . . . . . 260 VAL HA . 51481 1 513 . 1 . 1 46 46 VAL HB H 1 2.088 0.007 . 1 . . . . . 260 VAL HB . 51481 1 514 . 1 . 1 46 46 VAL HG11 H 1 0.868 0.001 . 2 . . . . . 260 VAL HG11 . 51481 1 515 . 1 . 1 46 46 VAL HG12 H 1 0.868 0.001 . 2 . . . . . 260 VAL HG12 . 51481 1 516 . 1 . 1 46 46 VAL HG13 H 1 0.868 0.001 . 2 . . . . . 260 VAL HG13 . 51481 1 517 . 1 . 1 46 46 VAL HG21 H 1 0.895 0.005 . 2 . . . . . 260 VAL HG21 . 51481 1 518 . 1 . 1 46 46 VAL HG22 H 1 0.895 0.005 . 2 . . . . . 260 VAL HG22 . 51481 1 519 . 1 . 1 46 46 VAL HG23 H 1 0.895 0.005 . 2 . . . . . 260 VAL HG23 . 51481 1 520 . 1 . 1 46 46 VAL CA C 13 63.595 0.002 . 1 . . . . . 260 VAL CA . 51481 1 521 . 1 . 1 46 46 VAL CB C 13 33.415 0.000 . 1 . . . . . 260 VAL CB . 51481 1 522 . 1 . 1 46 46 VAL CG1 C 13 21.213 0.000 . 2 . . . . . 260 VAL CG1 . 51481 1 523 . 1 . 1 46 46 VAL CG2 C 13 21.662 0.000 . 2 . . . . . 260 VAL CG2 . 51481 1 524 . 1 . 1 46 46 VAL N N 15 123.779 0.031 . 1 . . . . . 260 VAL N . 51481 1 stop_ save_