data_30171 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 30171 _Entry.Title ; HIV-1 reverse transcriptase thumb subdomain ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2016-09-06 _Entry.Accession_date 2016-09-06 _Entry.Last_release_date 2016-11-11 _Entry.Original_release_date 2016-11-11 _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 A. Gronenborn A. M. . . 30171 2 N. Sharaf N. G. . . 30171 3 I-J. Byeon I-J. L. . . 30171 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID HYDROLASE . 30171 'thumb subdomain' . 30171 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 30171 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 276 30171 '15N chemical shifts' 86 30171 '1H chemical shifts' 577 30171 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 . . 2017-01-12 . original BMRB . 30171 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 5T82 'BMRB Entry Tracking System' 30171 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 30171 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 27858311 _Citation.Full_citation . _Citation.Title ; NMR structure of the HIV-1 reverse transcriptase thumb subdomain ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 66 _Citation.Journal_issue 4 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD 0353 _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 273 _Citation.Page_last 280 _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 N. Sharaf N. G. . . 30171 1 2 A. Brereton A. E. . . 30171 1 3 I-J. Byeon I-J. L. . . 30171 1 4 P. Karplus P. A. . . 30171 1 5 A. Gronenborn A. M. . . 30171 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 30171 _Assembly.ID 1 _Assembly.Name 'Reverse transcriptase' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 entity_1 1 $entity_1 A A yes . . . . . . 30171 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 30171 _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 A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; DKWTVQPIVLPEKDSWTVND IQKLVGKLNWASQIYPGIKV RQLSKLLRGTKALTEVIPLT EEAELELAENREILKEPVHG VYLEHHHHHH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 90 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment 'thumb subdomain residues 237-318' _Entity.Mutation C280S _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 10460.995 _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 1 237 ASP . 30171 1 2 238 LYS . 30171 1 3 239 TRP . 30171 1 4 240 THR . 30171 1 5 241 VAL . 30171 1 6 242 GLN . 30171 1 7 243 PRO . 30171 1 8 244 ILE . 30171 1 9 245 VAL . 30171 1 10 246 LEU . 30171 1 11 247 PRO . 30171 1 12 248 GLU . 30171 1 13 249 LYS . 30171 1 14 250 ASP . 30171 1 15 251 SER . 30171 1 16 252 TRP . 30171 1 17 253 THR . 30171 1 18 254 VAL . 30171 1 19 255 ASN . 30171 1 20 256 ASP . 30171 1 21 257 ILE . 30171 1 22 258 GLN . 30171 1 23 259 LYS . 30171 1 24 260 LEU . 30171 1 25 261 VAL . 30171 1 26 262 GLY . 30171 1 27 263 LYS . 30171 1 28 264 LEU . 30171 1 29 265 ASN . 30171 1 30 266 TRP . 30171 1 31 267 ALA . 30171 1 32 268 SER . 30171 1 33 269 GLN . 30171 1 34 270 ILE . 30171 1 35 271 TYR . 30171 1 36 272 PRO . 30171 1 37 273 GLY . 30171 1 38 274 ILE . 30171 1 39 275 LYS . 30171 1 40 276 VAL . 30171 1 41 277 ARG . 30171 1 42 278 GLN . 30171 1 43 279 LEU . 30171 1 44 280 SER . 30171 1 45 281 LYS . 30171 1 46 282 LEU . 30171 1 47 283 LEU . 30171 1 48 284 ARG . 30171 1 49 285 GLY . 30171 1 50 286 THR . 30171 1 51 287 LYS . 30171 1 52 288 ALA . 30171 1 53 289 LEU . 30171 1 54 290 THR . 30171 1 55 291 GLU . 30171 1 56 292 VAL . 30171 1 57 293 ILE . 30171 1 58 294 PRO . 30171 1 59 295 LEU . 30171 1 60 296 THR . 30171 1 61 297 GLU . 30171 1 62 298 GLU . 30171 1 63 299 ALA . 30171 1 64 300 GLU . 30171 1 65 301 LEU . 30171 1 66 302 GLU . 30171 1 67 303 LEU . 30171 1 68 304 ALA . 30171 1 69 305 GLU . 30171 1 70 306 ASN . 30171 1 71 307 ARG . 30171 1 72 308 GLU . 30171 1 73 309 ILE . 30171 1 74 310 LEU . 30171 1 75 311 LYS . 30171 1 76 312 GLU . 30171 1 77 313 PRO . 30171 1 78 314 VAL . 30171 1 79 315 HIS . 30171 1 80 316 GLY . 30171 1 81 317 VAL . 30171 1 82 318 TYR . 30171 1 83 319 LEU . 30171 1 84 320 GLU . 30171 1 85 321 HIS . 30171 1 86 322 HIS . 30171 1 87 323 HIS . 30171 1 88 324 HIS . 30171 1 89 325 HIS . 30171 1 90 326 HIS . 30171 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 . ASP 1 1 30171 1 . LYS 2 2 30171 1 . TRP 3 3 30171 1 . THR 4 4 30171 1 . VAL 5 5 30171 1 . GLN 6 6 30171 1 . PRO 7 7 30171 1 . ILE 8 8 30171 1 . VAL 9 9 30171 1 . LEU 10 10 30171 1 . PRO 11 11 30171 1 . GLU 12 12 30171 1 . LYS 13 13 30171 1 . ASP 14 14 30171 1 . SER 15 15 30171 1 . TRP 16 16 30171 1 . THR 17 17 30171 1 . VAL 18 18 30171 1 . ASN 19 19 30171 1 . ASP 20 20 30171 1 . ILE 21 21 30171 1 . GLN 22 22 30171 1 . LYS 23 23 30171 1 . LEU 24 24 30171 1 . VAL 25 25 30171 1 . GLY 26 26 30171 1 . LYS 27 27 30171 1 . LEU 28 28 30171 1 . ASN 29 29 30171 1 . TRP 30 30 30171 1 . ALA 31 31 30171 1 . SER 32 32 30171 1 . GLN 33 33 30171 1 . ILE 34 34 30171 1 . TYR 35 35 30171 1 . PRO 36 36 30171 1 . GLY 37 37 30171 1 . ILE 38 38 30171 1 . LYS 39 39 30171 1 . VAL 40 40 30171 1 . ARG 41 41 30171 1 . GLN 42 42 30171 1 . LEU 43 43 30171 1 . SER 44 44 30171 1 . LYS 45 45 30171 1 . LEU 46 46 30171 1 . LEU 47 47 30171 1 . ARG 48 48 30171 1 . GLY 49 49 30171 1 . THR 50 50 30171 1 . LYS 51 51 30171 1 . ALA 52 52 30171 1 . LEU 53 53 30171 1 . THR 54 54 30171 1 . GLU 55 55 30171 1 . VAL 56 56 30171 1 . ILE 57 57 30171 1 . PRO 58 58 30171 1 . LEU 59 59 30171 1 . THR 60 60 30171 1 . GLU 61 61 30171 1 . GLU 62 62 30171 1 . ALA 63 63 30171 1 . GLU 64 64 30171 1 . LEU 65 65 30171 1 . GLU 66 66 30171 1 . LEU 67 67 30171 1 . ALA 68 68 30171 1 . GLU 69 69 30171 1 . ASN 70 70 30171 1 . ARG 71 71 30171 1 . GLU 72 72 30171 1 . ILE 73 73 30171 1 . LEU 74 74 30171 1 . LYS 75 75 30171 1 . GLU 76 76 30171 1 . PRO 77 77 30171 1 . VAL 78 78 30171 1 . HIS 79 79 30171 1 . GLY 80 80 30171 1 . VAL 81 81 30171 1 . TYR 82 82 30171 1 . LEU 83 83 30171 1 . GLU 84 84 30171 1 . HIS 85 85 30171 1 . HIS 86 86 30171 1 . HIS 87 87 30171 1 . HIS 88 88 30171 1 . HIS 89 89 30171 1 . HIS 90 90 30171 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 30171 _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 . 11676 organism . 'Human immunodeficiency virus 1' HIV-1 . . Viruses . Lentivirus HIV-1 . . . . . . . . . . . pol . 30171 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 30171 _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 . . 561 . . . . . . . . . . . . 30171 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 30171 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '[U-13C],[U-15N]-labeled RT thumb subdomain, 90% H2O/10% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 entity_1 '[U-13C; U-15N]' . . 1 $entity_1 . . 1 . . mM . . . . 30171 1 2 'Sodium Phosphate' 'natural abundance' . . . . . . 25 . . mM . . . . 30171 1 3 NaCl 'natural abundance' . . . . . . 100 . . mM . . . . 30171 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 30171 _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' 100 . mM 30171 1 pH 6.8 . pH 30171 1 pressure 1 . atm 30171 1 temperature 303 . K 30171 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 30171 _Software.ID 1 _Software.Name CNS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger A. T. et.al.' . . 30171 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 30171 1 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 30171 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details '5 mm triple resonance, Z-axis gradient cryoprobes' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance600 _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 30171 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details '5 mm triple resonance, Z-axis gradient cryoprobes' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance700 _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 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 30171 _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 NMR_spectrometer_1 Bruker Avance600 . 600 . . . 30171 1 2 NMR_spectrometer_2 Bruker Avance700 . 700 . . . 30171 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 30171 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30171 1 2 '3D HN(CO)CACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 30171 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 30171 1 4 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 30171 1 5 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 30171 1 6 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 30171 1 7 '3D SIMULTANEOUS 13C- and 15N- EDITED NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 30171 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 30171 _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 0.000 internal indirect 0.25144953 . . . . . 30171 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . 30171 1 N 15 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.10132912 . . . . . 30171 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 30171 _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 $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' . . . 30171 1 2 '3D HN(CO)CACB' . . . 30171 1 3 '3D HNCACB' . . . 30171 1 4 '3D HCCH-TOCSY' . . . 30171 1 5 '3D H(CCO)NH' . . . 30171 1 6 '3D C(CO)NH' . . . 30171 1 7 '3D SIMULTANEOUS 13C- and 15N- EDITED NOESY' . . . 30171 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 ASP HA H 1 4.622 0.01 . 1 . . . A 237 ASP HA . 30171 1 2 . 1 1 1 1 ASP HB2 H 1 2.549 0.006 . 1 . . . A 237 ASP HB2 . 30171 1 3 . 1 1 1 1 ASP CA C 13 54.312 0.132 . 1 . . . A 237 ASP CA . 30171 1 4 . 1 1 1 1 ASP CB C 13 41.587 0.067 . 1 . . . A 237 ASP CB . 30171 1 5 . 1 1 2 2 LYS H H 1 8.273 0.013 . 1 . . . A 238 LYS H . 30171 1 6 . 1 1 2 2 LYS HA H 1 4.214 0.013 . 1 . . . A 238 LYS HA . 30171 1 7 . 1 1 2 2 LYS HB2 H 1 1.568 0.012 . 2 . . . A 238 LYS HB2 . 30171 1 8 . 1 1 2 2 LYS HB3 H 1 1.603 0.002 . 2 . . . A 238 LYS HB3 . 30171 1 9 . 1 1 2 2 LYS HG2 H 1 1.162 0.007 . 1 . . . A 238 LYS HG2 . 30171 1 10 . 1 1 2 2 LYS HD2 H 1 1.518 0.007 . 1 . . . A 238 LYS HD2 . 30171 1 11 . 1 1 2 2 LYS HE2 H 1 2.838 0.006 . 1 . . . A 238 LYS HE2 . 30171 1 12 . 1 1 2 2 LYS CA C 13 56.749 0.053 . 1 . . . A 238 LYS CA . 30171 1 13 . 1 1 2 2 LYS CB C 13 33.039 0.03 . 1 . . . A 238 LYS CB . 30171 1 14 . 1 1 2 2 LYS CG C 13 24.442 0.012 . 1 . . . A 238 LYS CG . 30171 1 15 . 1 1 2 2 LYS CD C 13 29.116 0.052 . 1 . . . A 238 LYS CD . 30171 1 16 . 1 1 2 2 LYS CE C 13 42.039 0.034 . 1 . . . A 238 LYS CE . 30171 1 17 . 1 1 2 2 LYS N N 15 120.95 0.072 . 1 . . . A 238 LYS N . 30171 1 18 . 1 1 3 3 TRP H H 1 8.142 0.012 . 1 . . . A 239 TRP H . 30171 1 19 . 1 1 3 3 TRP HA H 1 4.748 0.025 . 1 . . . A 239 TRP HA . 30171 1 20 . 1 1 3 3 TRP HB2 H 1 3.279 0.01 . 2 . . . A 239 TRP HB2 . 30171 1 21 . 1 1 3 3 TRP HB3 H 1 3.176 0.004 . 2 . . . A 239 TRP HB3 . 30171 1 22 . 1 1 3 3 TRP HD1 H 1 7.165 0.002 . 1 . . . A 239 TRP HD1 . 30171 1 23 . 1 1 3 3 TRP HE1 H 1 10.078 0.008 . 1 . . . A 239 TRP HE1 . 30171 1 24 . 1 1 3 3 TRP HE3 H 1 7.512 0.011 . 1 . . . A 239 TRP HE3 . 30171 1 25 . 1 1 3 3 TRP HZ2 H 1 7.38 0.019 . 1 . . . A 239 TRP HZ2 . 30171 1 26 . 1 1 3 3 TRP CA C 13 57.029 0.053 . 1 . . . A 239 TRP CA . 30171 1 27 . 1 1 3 3 TRP CB C 13 29.871 0.11 . 1 . . . A 239 TRP CB . 30171 1 28 . 1 1 3 3 TRP N N 15 121.179 0.037 . 1 . . . A 239 TRP N . 30171 1 29 . 1 1 3 3 TRP NE1 N 15 129.236 0.075 . 1 . . . A 239 TRP NE1 . 30171 1 30 . 1 1 4 4 THR H H 1 8.023 0.014 . 1 . . . A 240 THR H . 30171 1 31 . 1 1 4 4 THR HA H 1 4.41 0.01 . 1 . . . A 240 THR HA . 30171 1 32 . 1 1 4 4 THR HB H 1 4.129 0.005 . 1 . . . A 240 THR HB . 30171 1 33 . 1 1 4 4 THR HG1 H 1 1.123 0.003 . 1 . . . A 240 THR HG1 . 30171 1 34 . 1 1 4 4 THR HG21 H 1 1.109 0.006 . 1 . . . A 240 THR HG21 . 30171 1 35 . 1 1 4 4 THR HG22 H 1 1.109 0.006 . 1 . . . A 240 THR HG22 . 30171 1 36 . 1 1 4 4 THR HG23 H 1 1.109 0.006 . 1 . . . A 240 THR HG23 . 30171 1 37 . 1 1 4 4 THR CA C 13 62.01 0.074 . 1 . . . A 240 THR CA . 30171 1 38 . 1 1 4 4 THR CB C 13 70.138 0.119 . 1 . . . A 240 THR CB . 30171 1 39 . 1 1 4 4 THR CG2 C 13 21.685 0.046 . 1 . . . A 240 THR CG2 . 30171 1 40 . 1 1 4 4 THR N N 15 115.88 0.06 . 1 . . . A 240 THR N . 30171 1 41 . 1 1 5 5 VAL H H 1 8.006 0.013 . 1 . . . A 241 VAL H . 30171 1 42 . 1 1 5 5 VAL HA H 1 4.118 0.004 . 1 . . . A 241 VAL HA . 30171 1 43 . 1 1 5 5 VAL HB H 1 2.031 0.007 . 1 . . . A 241 VAL HB . 30171 1 44 . 1 1 5 5 VAL HG11 H 1 0.902 0.008 . 1 . . . A 241 VAL HG11 . 30171 1 45 . 1 1 5 5 VAL HG12 H 1 0.902 0.008 . 1 . . . A 241 VAL HG12 . 30171 1 46 . 1 1 5 5 VAL HG13 H 1 0.902 0.008 . 1 . . . A 241 VAL HG13 . 30171 1 47 . 1 1 5 5 VAL CA C 13 62.077 0.078 . 1 . . . A 241 VAL CA . 30171 1 48 . 1 1 5 5 VAL CB C 13 32.853 0.052 . 1 . . . A 241 VAL CB . 30171 1 49 . 1 1 5 5 VAL CG1 C 13 21.17 0.133 . 1 . . . A 241 VAL CG1 . 30171 1 50 . 1 1 5 5 VAL N N 15 121.857 0.082 . 1 . . . A 241 VAL N . 30171 1 51 . 1 1 6 6 GLN H H 1 8.219 0.012 . 1 . . . A 242 GLN H . 30171 1 52 . 1 1 6 6 GLN HA H 1 4.604 0.001 . 1 . . . A 242 GLN HA . 30171 1 53 . 1 1 6 6 GLN HB2 H 1 2.116 0.004 . 2 . . . A 242 GLN HB2 . 30171 1 54 . 1 1 6 6 GLN HB3 H 1 1.931 0.005 . 2 . . . A 242 GLN HB3 . 30171 1 55 . 1 1 6 6 GLN HG2 H 1 2.369 0.002 . 1 . . . A 242 GLN HG2 . 30171 1 56 . 1 1 6 6 GLN HE21 H 1 7.507 0.011 . 1 . . . A 242 GLN HE21 . 30171 1 57 . 1 1 6 6 GLN HE22 H 1 6.868 0.011 . 1 . . . A 242 GLN HE22 . 30171 1 58 . 1 1 6 6 GLN CA C 13 53.615 0.013 . 1 . . . A 242 GLN CA . 30171 1 59 . 1 1 6 6 GLN CB C 13 29.162 0.053 . 1 . . . A 242 GLN CB . 30171 1 60 . 1 1 6 6 GLN CG C 13 33.666 0.021 . 1 . . . A 242 GLN CG . 30171 1 61 . 1 1 6 6 GLN N N 15 124.773 0.066 . 1 . . . A 242 GLN N . 30171 1 62 . 1 1 6 6 GLN NE2 N 15 112.288 0.034 . 1 . . . A 242 GLN NE2 . 30171 1 63 . 1 1 7 7 PRO HA H 1 4.572 0.002 . 1 . . . A 243 PRO HA . 30171 1 64 . 1 1 7 7 PRO HB2 H 1 1.877 0.003 . 2 . . . A 243 PRO HB2 . 30171 1 65 . 1 1 7 7 PRO HB3 H 1 2.288 0.001 . 2 . . . A 243 PRO HB3 . 30171 1 66 . 1 1 7 7 PRO CA C 13 63.38 0.012 . 1 . . . A 243 PRO CA . 30171 1 67 . 1 1 7 7 PRO CB C 13 31.86 0.193 . 1 . . . A 243 PRO CB . 30171 1 68 . 1 1 7 7 PRO CG C 13 27.371 0 . 1 . . . A 243 PRO CG . 30171 1 69 . 1 1 7 7 PRO CD C 13 50.998 0 . 1 . . . A 243 PRO CD . 30171 1 70 . 1 1 8 8 ILE H H 1 8.585 0.022 . 1 . . . A 244 ILE H . 30171 1 71 . 1 1 8 8 ILE HA H 1 4.129 0.007 . 1 . . . A 244 ILE HA . 30171 1 72 . 1 1 8 8 ILE HB H 1 1.886 0.011 . 1 . . . A 244 ILE HB . 30171 1 73 . 1 1 8 8 ILE HG12 H 1 1.267 0.005 . 1 . . . A 244 ILE HG12 . 30171 1 74 . 1 1 8 8 ILE HG21 H 1 0.812 0.006 . 1 . . . A 244 ILE HG21 . 30171 1 75 . 1 1 8 8 ILE HG22 H 1 0.812 0.006 . 1 . . . A 244 ILE HG22 . 30171 1 76 . 1 1 8 8 ILE HG23 H 1 0.812 0.006 . 1 . . . A 244 ILE HG23 . 30171 1 77 . 1 1 8 8 ILE HD11 H 1 0.963 0.007 . 1 . . . A 244 ILE HD11 . 30171 1 78 . 1 1 8 8 ILE HD12 H 1 0.963 0.007 . 1 . . . A 244 ILE HD12 . 30171 1 79 . 1 1 8 8 ILE HD13 H 1 0.963 0.007 . 1 . . . A 244 ILE HD13 . 30171 1 80 . 1 1 8 8 ILE CA C 13 61.246 0.026 . 1 . . . A 244 ILE CA . 30171 1 81 . 1 1 8 8 ILE CB C 13 38.489 0.063 . 1 . . . A 244 ILE CB . 30171 1 82 . 1 1 8 8 ILE CG1 C 13 27.628 0.045 . 1 . . . A 244 ILE CG1 . 30171 1 83 . 1 1 8 8 ILE CG2 C 13 17.659 0.055 . 1 . . . A 244 ILE CG2 . 30171 1 84 . 1 1 8 8 ILE CD1 C 13 13.907 0.049 . 1 . . . A 244 ILE CD1 . 30171 1 85 . 1 1 8 8 ILE N N 15 122.735 0.236 . 1 . . . A 244 ILE N . 30171 1 86 . 1 1 9 9 VAL H H 1 8.237 0.012 . 1 . . . A 245 VAL H . 30171 1 87 . 1 1 9 9 VAL HA H 1 4.178 0.005 . 1 . . . A 245 VAL HA . 30171 1 88 . 1 1 9 9 VAL HB H 1 1.925 0.006 . 1 . . . A 245 VAL HB . 30171 1 89 . 1 1 9 9 VAL HG11 H 1 0.848 0.007 . 1 . . . A 245 VAL HG11 . 30171 1 90 . 1 1 9 9 VAL HG12 H 1 0.848 0.007 . 1 . . . A 245 VAL HG12 . 30171 1 91 . 1 1 9 9 VAL HG13 H 1 0.848 0.007 . 1 . . . A 245 VAL HG13 . 30171 1 92 . 1 1 9 9 VAL CA C 13 61.249 0.05 . 1 . . . A 245 VAL CA . 30171 1 93 . 1 1 9 9 VAL CB C 13 33.51 0.027 . 1 . . . A 245 VAL CB . 30171 1 94 . 1 1 9 9 VAL CG1 C 13 20.893 0.122 . 1 . . . A 245 VAL CG1 . 30171 1 95 . 1 1 9 9 VAL N N 15 126.167 0.07 . 1 . . . A 245 VAL N . 30171 1 96 . 1 1 10 10 LEU H H 1 8.84 0.017 . 1 . . . A 246 LEU H . 30171 1 97 . 1 1 10 10 LEU HG H 1 0.818 0.001 . 1 . . . A 246 LEU HG . 30171 1 98 . 1 1 10 10 LEU HD11 H 1 0.742 0.001 . 1 . . . A 246 LEU HD11 . 30171 1 99 . 1 1 10 10 LEU HD12 H 1 0.742 0.001 . 1 . . . A 246 LEU HD12 . 30171 1 100 . 1 1 10 10 LEU HD13 H 1 0.742 0.001 . 1 . . . A 246 LEU HD13 . 30171 1 101 . 1 1 10 10 LEU CA C 13 51.464 0 . 1 . . . A 246 LEU CA . 30171 1 102 . 1 1 10 10 LEU CB C 13 40.785 0 . 1 . . . A 246 LEU CB . 30171 1 103 . 1 1 10 10 LEU CG C 13 26.126 0.066 . 1 . . . A 246 LEU CG . 30171 1 104 . 1 1 10 10 LEU CD1 C 13 22.209 0.027 . 1 . . . A 246 LEU CD1 . 30171 1 105 . 1 1 10 10 LEU N N 15 126.699 0.06 . 1 . . . A 246 LEU N . 30171 1 106 . 1 1 11 11 PRO HA H 1 4.417 0.006 . 1 . . . A 247 PRO HA . 30171 1 107 . 1 1 11 11 PRO HB2 H 1 2.268 0.008 . 2 . . . A 247 PRO HB2 . 30171 1 108 . 1 1 11 11 PRO HB3 H 1 1.783 0.006 . 2 . . . A 247 PRO HB3 . 30171 1 109 . 1 1 11 11 PRO HG2 H 1 2.112 0.002 . 1 . . . A 247 PRO HG2 . 30171 1 110 . 1 1 11 11 PRO HD2 H 1 3.599 0.008 . 1 . . . A 247 PRO HD2 . 30171 1 111 . 1 1 11 11 PRO CA C 13 62.952 0.049 . 1 . . . A 247 PRO CA . 30171 1 112 . 1 1 11 11 PRO CB C 13 32.491 0.047 . 1 . . . A 247 PRO CB . 30171 1 113 . 1 1 11 11 PRO CG C 13 27.294 0.048 . 1 . . . A 247 PRO CG . 30171 1 114 . 1 1 11 11 PRO CD C 13 50.751 0.018 . 1 . . . A 247 PRO CD . 30171 1 115 . 1 1 12 12 GLU H H 1 8.348 0.009 . 1 . . . A 248 GLU H . 30171 1 116 . 1 1 12 12 GLU HA H 1 4.515 0.007 . 1 . . . A 248 GLU HA . 30171 1 117 . 1 1 12 12 GLU HB2 H 1 1.967 0.004 . 2 . . . A 248 GLU HB2 . 30171 1 118 . 1 1 12 12 GLU HB3 H 1 1.825 0.012 . 2 . . . A 248 GLU HB3 . 30171 1 119 . 1 1 12 12 GLU HG2 H 1 2.149 0.006 . 2 . . . A 248 GLU HG2 . 30171 1 120 . 1 1 12 12 GLU HG3 H 1 2.231 0.002 . 2 . . . A 248 GLU HG3 . 30171 1 121 . 1 1 12 12 GLU CA C 13 55.964 0.103 . 1 . . . A 248 GLU CA . 30171 1 122 . 1 1 12 12 GLU CB C 13 30.743 0.075 . 1 . . . A 248 GLU CB . 30171 1 123 . 1 1 12 12 GLU CG C 13 36.311 0.054 . 1 . . . A 248 GLU CG . 30171 1 124 . 1 1 12 12 GLU N N 15 121.641 0.051 . 1 . . . A 248 GLU N . 30171 1 125 . 1 1 13 13 LYS H H 1 7.299 0.019 . 1 . . . A 249 LYS H . 30171 1 126 . 1 1 13 13 LYS HA H 1 4.29 0.007 . 1 . . . A 249 LYS HA . 30171 1 127 . 1 1 13 13 LYS HB2 H 1 1.159 0.008 . 2 . . . A 249 LYS HB2 . 30171 1 128 . 1 1 13 13 LYS HB3 H 1 0.071 0.008 . 2 . . . A 249 LYS HB3 . 30171 1 129 . 1 1 13 13 LYS HG2 H 1 0.457 0.008 . 2 . . . A 249 LYS HG2 . 30171 1 130 . 1 1 13 13 LYS HG3 H 1 0.693 0.008 . 2 . . . A 249 LYS HG3 . 30171 1 131 . 1 1 13 13 LYS HD2 H 1 0.965 0.012 . 2 . . . A 249 LYS HD2 . 30171 1 132 . 1 1 13 13 LYS HD3 H 1 0.98 0.002 . 2 . . . A 249 LYS HD3 . 30171 1 133 . 1 1 13 13 LYS HE2 H 1 2.548 0.008 . 2 . . . A 249 LYS HE2 . 30171 1 134 . 1 1 13 13 LYS HE3 H 1 2.61 0.007 . 2 . . . A 249 LYS HE3 . 30171 1 135 . 1 1 13 13 LYS CA C 13 55.006 0.059 . 1 . . . A 249 LYS CA . 30171 1 136 . 1 1 13 13 LYS CB C 13 34.659 0.068 . 1 . . . A 249 LYS CB . 30171 1 137 . 1 1 13 13 LYS CG C 13 24.046 0.061 . 1 . . . A 249 LYS CG . 30171 1 138 . 1 1 13 13 LYS CD C 13 28.34 0.054 . 1 . . . A 249 LYS CD . 30171 1 139 . 1 1 13 13 LYS CE C 13 41.725 0.177 . 1 . . . A 249 LYS CE . 30171 1 140 . 1 1 13 13 LYS N N 15 121.53 0.024 . 1 . . . A 249 LYS N . 30171 1 141 . 1 1 14 14 ASP H H 1 8.21 0.01 . 1 . . . A 250 ASP H . 30171 1 142 . 1 1 14 14 ASP HA H 1 4.599 0.017 . 1 . . . A 250 ASP HA . 30171 1 143 . 1 1 14 14 ASP HB2 H 1 2.611 0.016 . 2 . . . A 250 ASP HB2 . 30171 1 144 . 1 1 14 14 ASP HB3 H 1 2.648 0.004 . 2 . . . A 250 ASP HB3 . 30171 1 145 . 1 1 14 14 ASP CA C 13 54.852 0.052 . 1 . . . A 250 ASP CA . 30171 1 146 . 1 1 14 14 ASP CB C 13 41.496 0.084 . 1 . . . A 250 ASP CB . 30171 1 147 . 1 1 14 14 ASP N N 15 118.237 0.07 . 1 . . . A 250 ASP N . 30171 1 148 . 1 1 15 15 SER H H 1 7.2 0.018 . 1 . . . A 251 SER H . 30171 1 149 . 1 1 15 15 SER HA H 1 4.57 0.005 . 1 . . . A 251 SER HA . 30171 1 150 . 1 1 15 15 SER HB2 H 1 3.63 0.011 . 2 . . . A 251 SER HB2 . 30171 1 151 . 1 1 15 15 SER HB3 H 1 3.673 0.007 . 2 . . . A 251 SER HB3 . 30171 1 152 . 1 1 15 15 SER CA C 13 57.09 0.076 . 1 . . . A 251 SER CA . 30171 1 153 . 1 1 15 15 SER CB C 13 64.423 0.047 . 1 . . . A 251 SER CB . 30171 1 154 . 1 1 15 15 SER N N 15 113.151 0.055 . 1 . . . A 251 SER N . 30171 1 155 . 1 1 16 16 TRP H H 1 9.192 0.012 . 1 . . . A 252 TRP H . 30171 1 156 . 1 1 16 16 TRP HA H 1 4.718 0.006 . 1 . . . A 252 TRP HA . 30171 1 157 . 1 1 16 16 TRP HB2 H 1 3.16 0.007 . 1 . . . A 252 TRP HB2 . 30171 1 158 . 1 1 16 16 TRP HD1 H 1 7.126 0.021 . 1 . . . A 252 TRP HD1 . 30171 1 159 . 1 1 16 16 TRP HE1 H 1 9.97 0.014 . 1 . . . A 252 TRP HE1 . 30171 1 160 . 1 1 16 16 TRP HE3 H 1 7.364 0.008 . 1 . . . A 252 TRP HE3 . 30171 1 161 . 1 1 16 16 TRP HZ2 H 1 7.442 0.001 . 1 . . . A 252 TRP HZ2 . 30171 1 162 . 1 1 16 16 TRP HZ3 H 1 6.883 0.008 . 1 . . . A 252 TRP HZ3 . 30171 1 163 . 1 1 16 16 TRP HH2 H 1 7.018 0.008 . 1 . . . A 252 TRP HH2 . 30171 1 164 . 1 1 16 16 TRP CA C 13 56.625 0.044 . 1 . . . A 252 TRP CA . 30171 1 165 . 1 1 16 16 TRP CB C 13 31.192 0.04 . 1 . . . A 252 TRP CB . 30171 1 166 . 1 1 16 16 TRP N N 15 125.926 0.03 . 1 . . . A 252 TRP N . 30171 1 167 . 1 1 16 16 TRP NE1 N 15 130.512 0.036 . 1 . . . A 252 TRP NE1 . 30171 1 168 . 1 1 17 17 THR H H 1 9.002 0.015 . 1 . . . A 253 THR H . 30171 1 169 . 1 1 17 17 THR HA H 1 5.518 0.006 . 1 . . . A 253 THR HA . 30171 1 170 . 1 1 17 17 THR HB H 1 4.582 0.01 . 1 . . . A 253 THR HB . 30171 1 171 . 1 1 17 17 THR HG21 H 1 1.19 0.011 . 1 . . . A 253 THR HG21 . 30171 1 172 . 1 1 17 17 THR HG22 H 1 1.19 0.011 . 1 . . . A 253 THR HG22 . 30171 1 173 . 1 1 17 17 THR HG23 H 1 1.19 0.011 . 1 . . . A 253 THR HG23 . 30171 1 174 . 1 1 17 17 THR CA C 13 59.794 0.052 . 1 . . . A 253 THR CA . 30171 1 175 . 1 1 17 17 THR CB C 13 73.167 0.098 . 1 . . . A 253 THR CB . 30171 1 176 . 1 1 17 17 THR CG2 C 13 22.049 0.017 . 1 . . . A 253 THR CG2 . 30171 1 177 . 1 1 17 17 THR N N 15 111.026 0.039 . 1 . . . A 253 THR N . 30171 1 178 . 1 1 18 18 VAL H H 1 8.426 0.017 . 1 . . . A 254 VAL H . 30171 1 179 . 1 1 18 18 VAL HA H 1 3.459 0.008 . 1 . . . A 254 VAL HA . 30171 1 180 . 1 1 18 18 VAL HB H 1 2.324 0.01 . 1 . . . A 254 VAL HB . 30171 1 181 . 1 1 18 18 VAL HG11 H 1 1.148 0.014 . 2 . . . A 254 VAL HG11 . 30171 1 182 . 1 1 18 18 VAL HG12 H 1 1.148 0.014 . 2 . . . A 254 VAL HG12 . 30171 1 183 . 1 1 18 18 VAL HG13 H 1 1.148 0.014 . 2 . . . A 254 VAL HG13 . 30171 1 184 . 1 1 18 18 VAL HG21 H 1 0.883 0.012 . 2 . . . A 254 VAL HG21 . 30171 1 185 . 1 1 18 18 VAL HG22 H 1 0.883 0.012 . 2 . . . A 254 VAL HG22 . 30171 1 186 . 1 1 18 18 VAL HG23 H 1 0.883 0.012 . 2 . . . A 254 VAL HG23 . 30171 1 187 . 1 1 18 18 VAL CA C 13 67.519 0.034 . 1 . . . A 254 VAL CA . 30171 1 188 . 1 1 18 18 VAL CB C 13 32.043 0.081 . 1 . . . A 254 VAL CB . 30171 1 189 . 1 1 18 18 VAL CG1 C 13 24.278 0.018 . 2 . . . A 254 VAL CG1 . 30171 1 190 . 1 1 18 18 VAL CG2 C 13 21.371 0.042 . 2 . . . A 254 VAL CG2 . 30171 1 191 . 1 1 18 18 VAL N N 15 121.538 0.051 . 1 . . . A 254 VAL N . 30171 1 192 . 1 1 19 19 ASN H H 1 8.558 0.012 . 1 . . . A 255 ASN H . 30171 1 193 . 1 1 19 19 ASN HA H 1 4.403 0.012 . 1 . . . A 255 ASN HA . 30171 1 194 . 1 1 19 19 ASN HB2 H 1 2.759 0.016 . 2 . . . A 255 ASN HB2 . 30171 1 195 . 1 1 19 19 ASN HB3 H 1 2.824 0.006 . 2 . . . A 255 ASN HB3 . 30171 1 196 . 1 1 19 19 ASN HD21 H 1 6.968 0.011 . 1 . . . A 255 ASN HD21 . 30171 1 197 . 1 1 19 19 ASN HD22 H 1 7.637 0.01 . 1 . . . A 255 ASN HD22 . 30171 1 198 . 1 1 19 19 ASN CA C 13 56.657 0.101 . 1 . . . A 255 ASN CA . 30171 1 199 . 1 1 19 19 ASN CB C 13 39.759 0.018 . 1 . . . A 255 ASN CB . 30171 1 200 . 1 1 19 19 ASN N N 15 116.247 0.059 . 1 . . . A 255 ASN N . 30171 1 201 . 1 1 19 19 ASN ND2 N 15 112.933 0.069 . 1 . . . A 255 ASN ND2 . 30171 1 202 . 1 1 20 20 ASP H H 1 7.941 0.014 . 1 . . . A 256 ASP H . 30171 1 203 . 1 1 20 20 ASP HA H 1 4.413 0.01 . 1 . . . A 256 ASP HA . 30171 1 204 . 1 1 20 20 ASP HB2 H 1 3.519 0.012 . 2 . . . A 256 ASP HB2 . 30171 1 205 . 1 1 20 20 ASP HB3 H 1 3.01 0.013 . 2 . . . A 256 ASP HB3 . 30171 1 206 . 1 1 20 20 ASP CA C 13 57.958 0.05 . 1 . . . A 256 ASP CA . 30171 1 207 . 1 1 20 20 ASP CB C 13 42.679 0.104 . 1 . . . A 256 ASP CB . 30171 1 208 . 1 1 20 20 ASP N N 15 116.995 0.042 . 1 . . . A 256 ASP N . 30171 1 209 . 1 1 21 21 ILE H H 1 8.638 0.013 . 1 . . . A 257 ILE H . 30171 1 210 . 1 1 21 21 ILE HA H 1 3.799 0.007 . 1 . . . A 257 ILE HA . 30171 1 211 . 1 1 21 21 ILE HB H 1 2.09 0.009 . 1 . . . A 257 ILE HB . 30171 1 212 . 1 1 21 21 ILE HG12 H 1 1.224 0.015 . 2 . . . A 257 ILE HG12 . 30171 1 213 . 1 1 21 21 ILE HG13 H 1 1.684 0.008 . 2 . . . A 257 ILE HG13 . 30171 1 214 . 1 1 21 21 ILE HG21 H 1 0.775 0.006 . 1 . . . A 257 ILE HG21 . 30171 1 215 . 1 1 21 21 ILE HG22 H 1 0.775 0.006 . 1 . . . A 257 ILE HG22 . 30171 1 216 . 1 1 21 21 ILE HG23 H 1 0.775 0.006 . 1 . . . A 257 ILE HG23 . 30171 1 217 . 1 1 21 21 ILE HD11 H 1 0.466 0.009 . 1 . . . A 257 ILE HD11 . 30171 1 218 . 1 1 21 21 ILE HD12 H 1 0.466 0.009 . 1 . . . A 257 ILE HD12 . 30171 1 219 . 1 1 21 21 ILE HD13 H 1 0.466 0.009 . 1 . . . A 257 ILE HD13 . 30171 1 220 . 1 1 21 21 ILE CA C 13 64.053 0.027 . 1 . . . A 257 ILE CA . 30171 1 221 . 1 1 21 21 ILE CB C 13 36.598 0.058 . 1 . . . A 257 ILE CB . 30171 1 222 . 1 1 21 21 ILE CG1 C 13 28.655 0.052 . 1 . . . A 257 ILE CG1 . 30171 1 223 . 1 1 21 21 ILE CG2 C 13 18.149 0.031 . 1 . . . A 257 ILE CG2 . 30171 1 224 . 1 1 21 21 ILE CD1 C 13 11.164 0.046 . 1 . . . A 257 ILE CD1 . 30171 1 225 . 1 1 21 21 ILE N N 15 121.408 0.038 . 1 . . . A 257 ILE N . 30171 1 226 . 1 1 22 22 GLN H H 1 9.053 0.015 . 1 . . . A 258 GLN H . 30171 1 227 . 1 1 22 22 GLN HA H 1 3.92 0.01 . 1 . . . A 258 GLN HA . 30171 1 228 . 1 1 22 22 GLN HB2 H 1 2.148 0.01 . 2 . . . A 258 GLN HB2 . 30171 1 229 . 1 1 22 22 GLN HB3 H 1 2.355 0.01 . 2 . . . A 258 GLN HB3 . 30171 1 230 . 1 1 22 22 GLN HG2 H 1 2.597 0.006 . 2 . . . A 258 GLN HG2 . 30171 1 231 . 1 1 22 22 GLN HG3 H 1 2.363 0.008 . 2 . . . A 258 GLN HG3 . 30171 1 232 . 1 1 22 22 GLN HE21 H 1 6.637 0.009 . 1 . . . A 258 GLN HE21 . 30171 1 233 . 1 1 22 22 GLN HE22 H 1 7.241 0.008 . 1 . . . A 258 GLN HE22 . 30171 1 234 . 1 1 22 22 GLN CA C 13 60.221 0.043 . 1 . . . A 258 GLN CA . 30171 1 235 . 1 1 22 22 GLN CB C 13 28.212 0.036 . 1 . . . A 258 GLN CB . 30171 1 236 . 1 1 22 22 GLN CG C 13 34.535 0.064 . 1 . . . A 258 GLN CG . 30171 1 237 . 1 1 22 22 GLN N N 15 120.991 0.023 . 1 . . . A 258 GLN N . 30171 1 238 . 1 1 22 22 GLN NE2 N 15 109.675 0.031 . 1 . . . A 258 GLN NE2 . 30171 1 239 . 1 1 23 23 LYS H H 1 8.213 0.008 . 1 . . . A 259 LYS H . 30171 1 240 . 1 1 23 23 LYS HA H 1 4.122 0.004 . 1 . . . A 259 LYS HA . 30171 1 241 . 1 1 23 23 LYS HB2 H 1 1.926 0.002 . 2 . . . A 259 LYS HB2 . 30171 1 242 . 1 1 23 23 LYS HB3 H 1 2.041 0.007 . 2 . . . A 259 LYS HB3 . 30171 1 243 . 1 1 23 23 LYS HG2 H 1 1.507 0.003 . 2 . . . A 259 LYS HG2 . 30171 1 244 . 1 1 23 23 LYS HG3 H 1 1.724 0.011 . 2 . . . A 259 LYS HG3 . 30171 1 245 . 1 1 23 23 LYS HD2 H 1 1.724 0.003 . 1 . . . A 259 LYS HD2 . 30171 1 246 . 1 1 23 23 LYS HE2 H 1 2.961 0.002 . 2 . . . A 259 LYS HE2 . 30171 1 247 . 1 1 23 23 LYS HE3 H 1 3.002 0.001 . 2 . . . A 259 LYS HE3 . 30171 1 248 . 1 1 23 23 LYS CA C 13 59.521 0.014 . 1 . . . A 259 LYS CA . 30171 1 249 . 1 1 23 23 LYS CB C 13 32.735 0.023 . 1 . . . A 259 LYS CB . 30171 1 250 . 1 1 23 23 LYS CG C 13 25.746 0.048 . 1 . . . A 259 LYS CG . 30171 1 251 . 1 1 23 23 LYS CD C 13 29.185 0.001 . 1 . . . A 259 LYS CD . 30171 1 252 . 1 1 23 23 LYS CE C 13 41.803 0 . 1 . . . A 259 LYS CE . 30171 1 253 . 1 1 23 23 LYS N N 15 119.491 0.043 . 1 . . . A 259 LYS N . 30171 1 254 . 1 1 24 24 LEU H H 1 8.254 0.013 . 1 . . . A 260 LEU H . 30171 1 255 . 1 1 24 24 LEU HA H 1 4.158 0.01 . 1 . . . A 260 LEU HA . 30171 1 256 . 1 1 24 24 LEU HB2 H 1 1.896 0.008 . 2 . . . A 260 LEU HB2 . 30171 1 257 . 1 1 24 24 LEU HB3 H 1 2.069 0.008 . 2 . . . A 260 LEU HB3 . 30171 1 258 . 1 1 24 24 LEU HG H 1 1.558 0.009 . 1 . . . A 260 LEU HG . 30171 1 259 . 1 1 24 24 LEU HD11 H 1 0.939 0.012 . 2 . . . A 260 LEU HD11 . 30171 1 260 . 1 1 24 24 LEU HD12 H 1 0.939 0.012 . 2 . . . A 260 LEU HD12 . 30171 1 261 . 1 1 24 24 LEU HD13 H 1 0.939 0.012 . 2 . . . A 260 LEU HD13 . 30171 1 262 . 1 1 24 24 LEU HD21 H 1 0.709 0.007 . 2 . . . A 260 LEU HD21 . 30171 1 263 . 1 1 24 24 LEU HD22 H 1 0.709 0.007 . 2 . . . A 260 LEU HD22 . 30171 1 264 . 1 1 24 24 LEU HD23 H 1 0.709 0.007 . 2 . . . A 260 LEU HD23 . 30171 1 265 . 1 1 24 24 LEU CA C 13 58.39 0.031 . 1 . . . A 260 LEU CA . 30171 1 266 . 1 1 24 24 LEU CB C 13 42.661 0.052 . 1 . . . A 260 LEU CB . 30171 1 267 . 1 1 24 24 LEU CG C 13 27.067 0.019 . 1 . . . A 260 LEU CG . 30171 1 268 . 1 1 24 24 LEU CD1 C 13 24.353 0.058 . 2 . . . A 260 LEU CD1 . 30171 1 269 . 1 1 24 24 LEU CD2 C 13 26.629 0.051 . 2 . . . A 260 LEU CD2 . 30171 1 270 . 1 1 24 24 LEU N N 15 123.38 0.087 . 1 . . . A 260 LEU N . 30171 1 271 . 1 1 25 25 VAL H H 1 8.967 0.012 . 1 . . . A 261 VAL H . 30171 1 272 . 1 1 25 25 VAL HA H 1 3.435 0.01 . 1 . . . A 261 VAL HA . 30171 1 273 . 1 1 25 25 VAL HB H 1 2.108 0.014 . 1 . . . A 261 VAL HB . 30171 1 274 . 1 1 25 25 VAL HG11 H 1 0.872 0.006 . 2 . . . A 261 VAL HG11 . 30171 1 275 . 1 1 25 25 VAL HG12 H 1 0.872 0.006 . 2 . . . A 261 VAL HG12 . 30171 1 276 . 1 1 25 25 VAL HG13 H 1 0.872 0.006 . 2 . . . A 261 VAL HG13 . 30171 1 277 . 1 1 25 25 VAL HG21 H 1 0.887 0.005 . 2 . . . A 261 VAL HG21 . 30171 1 278 . 1 1 25 25 VAL HG22 H 1 0.887 0.005 . 2 . . . A 261 VAL HG22 . 30171 1 279 . 1 1 25 25 VAL HG23 H 1 0.887 0.005 . 2 . . . A 261 VAL HG23 . 30171 1 280 . 1 1 25 25 VAL CA C 13 67.51 0.031 . 1 . . . A 261 VAL CA . 30171 1 281 . 1 1 25 25 VAL CB C 13 31.682 0.106 . 1 . . . A 261 VAL CB . 30171 1 282 . 1 1 25 25 VAL CG1 C 13 21.307 0.055 . 2 . . . A 261 VAL CG1 . 30171 1 283 . 1 1 25 25 VAL CG2 C 13 24.277 0.065 . 2 . . . A 261 VAL CG2 . 30171 1 284 . 1 1 25 25 VAL N N 15 119.194 0.03 . 1 . . . A 261 VAL N . 30171 1 285 . 1 1 26 26 GLY H H 1 8.082 0.014 . 1 . . . A 262 GLY H . 30171 1 286 . 1 1 26 26 GLY HA2 H 1 3.97 0.007 . 1 . . . A 262 GLY HA2 . 30171 1 287 . 1 1 26 26 GLY CA C 13 47.646 0.041 . 1 . . . A 262 GLY CA . 30171 1 288 . 1 1 26 26 GLY N N 15 106.307 0.057 . 1 . . . A 262 GLY N . 30171 1 289 . 1 1 27 27 LYS H H 1 8.068 0.015 . 1 . . . A 263 LYS H . 30171 1 290 . 1 1 27 27 LYS HA H 1 4.27 0.01 . 1 . . . A 263 LYS HA . 30171 1 291 . 1 1 27 27 LYS HB2 H 1 1.954 0.003 . 2 . . . A 263 LYS HB2 . 30171 1 292 . 1 1 27 27 LYS HB3 H 1 2.045 0.004 . 2 . . . A 263 LYS HB3 . 30171 1 293 . 1 1 27 27 LYS HG2 H 1 1.466 0.009 . 2 . . . A 263 LYS HG2 . 30171 1 294 . 1 1 27 27 LYS HG3 H 1 1.572 0.005 . 2 . . . A 263 LYS HG3 . 30171 1 295 . 1 1 27 27 LYS HD2 H 1 1.719 0.006 . 2 . . . A 263 LYS HD2 . 30171 1 296 . 1 1 27 27 LYS HD3 H 1 1.682 0.001 . 2 . . . A 263 LYS HD3 . 30171 1 297 . 1 1 27 27 LYS HE2 H 1 2.965 0.007 . 1 . . . A 263 LYS HE2 . 30171 1 298 . 1 1 27 27 LYS CA C 13 59.204 0.048 . 1 . . . A 263 LYS CA . 30171 1 299 . 1 1 27 27 LYS CB C 13 32.356 0.063 . 1 . . . A 263 LYS CB . 30171 1 300 . 1 1 27 27 LYS CG C 13 24.949 0.035 . 1 . . . A 263 LYS CG . 30171 1 301 . 1 1 27 27 LYS CD C 13 29.43 0.038 . 1 . . . A 263 LYS CD . 30171 1 302 . 1 1 27 27 LYS CE C 13 42.054 0.045 . 1 . . . A 263 LYS CE . 30171 1 303 . 1 1 27 27 LYS N N 15 123.845 0.054 . 1 . . . A 263 LYS N . 30171 1 304 . 1 1 28 28 LEU H H 1 8.723 0.012 . 1 . . . A 264 LEU H . 30171 1 305 . 1 1 28 28 LEU HA H 1 4.051 0.011 . 1 . . . A 264 LEU HA . 30171 1 306 . 1 1 28 28 LEU HB2 H 1 1.126 0.01 . 2 . . . A 264 LEU HB2 . 30171 1 307 . 1 1 28 28 LEU HB3 H 1 1.914 0.009 . 2 . . . A 264 LEU HB3 . 30171 1 308 . 1 1 28 28 LEU HG H 1 0.744 0.002 . 1 . . . A 264 LEU HG . 30171 1 309 . 1 1 28 28 LEU HD11 H 1 0.83 0.008 . 2 . . . A 264 LEU HD11 . 30171 1 310 . 1 1 28 28 LEU HD12 H 1 0.83 0.008 . 2 . . . A 264 LEU HD12 . 30171 1 311 . 1 1 28 28 LEU HD13 H 1 0.83 0.008 . 2 . . . A 264 LEU HD13 . 30171 1 312 . 1 1 28 28 LEU HD21 H 1 0.942 0 . 2 . . . A 264 LEU HD21 . 30171 1 313 . 1 1 28 28 LEU HD22 H 1 0.942 0 . 2 . . . A 264 LEU HD22 . 30171 1 314 . 1 1 28 28 LEU HD23 H 1 0.942 0 . 2 . . . A 264 LEU HD23 . 30171 1 315 . 1 1 28 28 LEU CA C 13 57.682 0.061 . 1 . . . A 264 LEU CA . 30171 1 316 . 1 1 28 28 LEU CB C 13 41.331 0.107 . 1 . . . A 264 LEU CB . 30171 1 317 . 1 1 28 28 LEU CG C 13 26.955 0.041 . 1 . . . A 264 LEU CG . 30171 1 318 . 1 1 28 28 LEU CD1 C 13 23.014 0.036 . 2 . . . A 264 LEU CD1 . 30171 1 319 . 1 1 28 28 LEU CD2 C 13 24.388 0.014 . 2 . . . A 264 LEU CD2 . 30171 1 320 . 1 1 28 28 LEU N N 15 120.005 0.034 . 1 . . . A 264 LEU N . 30171 1 321 . 1 1 29 29 ASN H H 1 9.025 0.012 . 1 . . . A 265 ASN H . 30171 1 322 . 1 1 29 29 ASN HA H 1 4.472 0.007 . 1 . . . A 265 ASN HA . 30171 1 323 . 1 1 29 29 ASN HB2 H 1 2.986 0.012 . 2 . . . A 265 ASN HB2 . 30171 1 324 . 1 1 29 29 ASN HB3 H 1 2.78 0.007 . 2 . . . A 265 ASN HB3 . 30171 1 325 . 1 1 29 29 ASN HD21 H 1 6.683 0.013 . 1 . . . A 265 ASN HD21 . 30171 1 326 . 1 1 29 29 ASN HD22 H 1 7.403 0.01 . 1 . . . A 265 ASN HD22 . 30171 1 327 . 1 1 29 29 ASN CA C 13 56.179 0.035 . 1 . . . A 265 ASN CA . 30171 1 328 . 1 1 29 29 ASN CB C 13 37.898 0.061 . 1 . . . A 265 ASN CB . 30171 1 329 . 1 1 29 29 ASN N N 15 119.375 0.05 . 1 . . . A 265 ASN N . 30171 1 330 . 1 1 29 29 ASN ND2 N 15 110.566 0.056 . 1 . . . A 265 ASN ND2 . 30171 1 331 . 1 1 30 30 TRP H H 1 7.944 0.014 . 1 . . . A 266 TRP H . 30171 1 332 . 1 1 30 30 TRP HA H 1 4.401 0.008 . 1 . . . A 266 TRP HA . 30171 1 333 . 1 1 30 30 TRP HB2 H 1 3.393 0.007 . 2 . . . A 266 TRP HB2 . 30171 1 334 . 1 1 30 30 TRP HB3 H 1 3.657 0.009 . 2 . . . A 266 TRP HB3 . 30171 1 335 . 1 1 30 30 TRP HD1 H 1 7.292 0.014 . 1 . . . A 266 TRP HD1 . 30171 1 336 . 1 1 30 30 TRP HE1 H 1 10.066 0.016 . 1 . . . A 266 TRP HE1 . 30171 1 337 . 1 1 30 30 TRP HE3 H 1 7.664 0.014 . 1 . . . A 266 TRP HE3 . 30171 1 338 . 1 1 30 30 TRP HZ3 H 1 7.047 0.013 . 1 . . . A 266 TRP HZ3 . 30171 1 339 . 1 1 30 30 TRP CA C 13 61.311 0.06 . 1 . . . A 266 TRP CA . 30171 1 340 . 1 1 30 30 TRP CB C 13 28.192 0.078 . 1 . . . A 266 TRP CB . 30171 1 341 . 1 1 30 30 TRP N N 15 122.973 0.049 . 1 . . . A 266 TRP N . 30171 1 342 . 1 1 30 30 TRP NE1 N 15 129.942 0.055 . 1 . . . A 266 TRP NE1 . 30171 1 343 . 1 1 31 31 ALA H H 1 8.848 0.015 . 1 . . . A 267 ALA H . 30171 1 344 . 1 1 31 31 ALA HA H 1 3.658 0.006 . 1 . . . A 267 ALA HA . 30171 1 345 . 1 1 31 31 ALA HB1 H 1 1.566 0.008 . 1 . . . A 267 ALA HB1 . 30171 1 346 . 1 1 31 31 ALA HB2 H 1 1.566 0.008 . 1 . . . A 267 ALA HB2 . 30171 1 347 . 1 1 31 31 ALA HB3 H 1 1.566 0.008 . 1 . . . A 267 ALA HB3 . 30171 1 348 . 1 1 31 31 ALA CA C 13 54.736 0.064 . 1 . . . A 267 ALA CA . 30171 1 349 . 1 1 31 31 ALA CB C 13 18.322 0.087 . 1 . . . A 267 ALA CB . 30171 1 350 . 1 1 31 31 ALA N N 15 121.129 0.054 . 1 . . . A 267 ALA N . 30171 1 351 . 1 1 32 32 SER H H 1 8.423 0.015 . 1 . . . A 268 SER H . 30171 1 352 . 1 1 32 32 SER HA H 1 4.496 0.013 . 1 . . . A 268 SER HA . 30171 1 353 . 1 1 32 32 SER HB2 H 1 3.96 0.008 . 2 . . . A 268 SER HB2 . 30171 1 354 . 1 1 32 32 SER HB3 H 1 4.118 0.01 . 2 . . . A 268 SER HB3 . 30171 1 355 . 1 1 32 32 SER CA C 13 60.544 0.058 . 1 . . . A 268 SER CA . 30171 1 356 . 1 1 32 32 SER CB C 13 62.947 0.099 . 1 . . . A 268 SER CB . 30171 1 357 . 1 1 32 32 SER N N 15 114.744 0.048 . 1 . . . A 268 SER N . 30171 1 358 . 1 1 33 33 GLN H H 1 7.326 0.02 . 1 . . . A 269 GLN H . 30171 1 359 . 1 1 33 33 GLN HA H 1 4.08 0.011 . 1 . . . A 269 GLN HA . 30171 1 360 . 1 1 33 33 GLN HB2 H 1 1.86 0.004 . 2 . . . A 269 GLN HB2 . 30171 1 361 . 1 1 33 33 GLN HB3 H 1 2.023 0.008 . 2 . . . A 269 GLN HB3 . 30171 1 362 . 1 1 33 33 GLN HG2 H 1 2.271 0.003 . 2 . . . A 269 GLN HG2 . 30171 1 363 . 1 1 33 33 GLN HG3 H 1 2.41 0.008 . 2 . . . A 269 GLN HG3 . 30171 1 364 . 1 1 33 33 GLN HE21 H 1 6.594 0.01 . 1 . . . A 269 GLN HE21 . 30171 1 365 . 1 1 33 33 GLN HE22 H 1 7.142 0.014 . 1 . . . A 269 GLN HE22 . 30171 1 366 . 1 1 33 33 GLN CA C 13 57.435 0.045 . 1 . . . A 269 GLN CA . 30171 1 367 . 1 1 33 33 GLN CB C 13 29.253 0.036 . 1 . . . A 269 GLN CB . 30171 1 368 . 1 1 33 33 GLN CG C 13 34.457 0.052 . 1 . . . A 269 GLN CG . 30171 1 369 . 1 1 33 33 GLN N N 15 118.202 0.039 . 1 . . . A 269 GLN N . 30171 1 370 . 1 1 33 33 GLN NE2 N 15 110.985 0.044 . 1 . . . A 269 GLN NE2 . 30171 1 371 . 1 1 34 34 ILE H H 1 7.269 0.016 . 1 . . . A 270 ILE H . 30171 1 372 . 1 1 34 34 ILE HA H 1 3.969 0.009 . 1 . . . A 270 ILE HA . 30171 1 373 . 1 1 34 34 ILE HB H 1 1.525 0.008 . 1 . . . A 270 ILE HB . 30171 1 374 . 1 1 34 34 ILE HG12 H 1 0.632 0.007 . 2 . . . A 270 ILE HG12 . 30171 1 375 . 1 1 34 34 ILE HG13 H 1 1.084 0.007 . 2 . . . A 270 ILE HG13 . 30171 1 376 . 1 1 34 34 ILE HG21 H 1 0.34 0.006 . 1 . . . A 270 ILE HG21 . 30171 1 377 . 1 1 34 34 ILE HG22 H 1 0.34 0.006 . 1 . . . A 270 ILE HG22 . 30171 1 378 . 1 1 34 34 ILE HG23 H 1 0.34 0.006 . 1 . . . A 270 ILE HG23 . 30171 1 379 . 1 1 34 34 ILE HD11 H 1 0.422 0.009 . 1 . . . A 270 ILE HD11 . 30171 1 380 . 1 1 34 34 ILE HD12 H 1 0.422 0.009 . 1 . . . A 270 ILE HD12 . 30171 1 381 . 1 1 34 34 ILE HD13 H 1 0.422 0.009 . 1 . . . A 270 ILE HD13 . 30171 1 382 . 1 1 34 34 ILE CA C 13 61.729 0.035 . 1 . . . A 270 ILE CA . 30171 1 383 . 1 1 34 34 ILE CB C 13 40.102 0.057 . 1 . . . A 270 ILE CB . 30171 1 384 . 1 1 34 34 ILE CG1 C 13 27.064 0.071 . 1 . . . A 270 ILE CG1 . 30171 1 385 . 1 1 34 34 ILE CG2 C 13 17.973 0.047 . 1 . . . A 270 ILE CG2 . 30171 1 386 . 1 1 34 34 ILE CD1 C 13 13.473 0.042 . 1 . . . A 270 ILE CD1 . 30171 1 387 . 1 1 34 34 ILE N N 15 114.958 0.049 . 1 . . . A 270 ILE N . 30171 1 388 . 1 1 35 35 TYR H H 1 8.088 0.017 . 1 . . . A 271 TYR H . 30171 1 389 . 1 1 35 35 TYR HA H 1 4.76 0.025 . 1 . . . A 271 TYR HA . 30171 1 390 . 1 1 35 35 TYR HB2 H 1 2.664 0.005 . 1 . . . A 271 TYR HB2 . 30171 1 391 . 1 1 35 35 TYR HD1 H 1 7.058 0.008 . 1 . . . A 271 TYR HD1 . 30171 1 392 . 1 1 35 35 TYR HD2 H 1 7.058 0.008 . 1 . . . A 271 TYR HD2 . 30171 1 393 . 1 1 35 35 TYR HE1 H 1 6.754 0.011 . 1 . . . A 271 TYR HE1 . 30171 1 394 . 1 1 35 35 TYR HE2 H 1 6.754 0.011 . 1 . . . A 271 TYR HE2 . 30171 1 395 . 1 1 35 35 TYR CA C 13 55.291 0 . 1 . . . A 271 TYR CA . 30171 1 396 . 1 1 35 35 TYR CB C 13 39.244 0.016 . 1 . . . A 271 TYR CB . 30171 1 397 . 1 1 35 35 TYR N N 15 119.951 0.065 . 1 . . . A 271 TYR N . 30171 1 398 . 1 1 36 36 PRO HA H 1 4.554 0.011 . 1 . . . A 272 PRO HA . 30171 1 399 . 1 1 36 36 PRO HB2 H 1 2.271 0.006 . 2 . . . A 272 PRO HB2 . 30171 1 400 . 1 1 36 36 PRO HB3 H 1 1.884 0.011 . 2 . . . A 272 PRO HB3 . 30171 1 401 . 1 1 36 36 PRO HG2 H 1 1.885 0.007 . 2 . . . A 272 PRO HG2 . 30171 1 402 . 1 1 36 36 PRO HG3 H 1 1.988 0.005 . 2 . . . A 272 PRO HG3 . 30171 1 403 . 1 1 36 36 PRO HD2 H 1 3.609 0.005 . 2 . . . A 272 PRO HD2 . 30171 1 404 . 1 1 36 36 PRO HD3 H 1 3.722 0.011 . 2 . . . A 272 PRO HD3 . 30171 1 405 . 1 1 36 36 PRO CA C 13 63.389 0.025 . 1 . . . A 272 PRO CA . 30171 1 406 . 1 1 36 36 PRO CB C 13 31.912 0.034 . 1 . . . A 272 PRO CB . 30171 1 407 . 1 1 36 36 PRO CG C 13 27.239 0.072 . 1 . . . A 272 PRO CG . 30171 1 408 . 1 1 36 36 PRO CD C 13 50.669 0.014 . 1 . . . A 272 PRO CD . 30171 1 409 . 1 1 37 37 GLY H H 1 8.552 0.014 . 1 . . . A 273 GLY H . 30171 1 410 . 1 1 37 37 GLY HA2 H 1 3.852 0.006 . 1 . . . A 273 GLY HA2 . 30171 1 411 . 1 1 37 37 GLY CA C 13 45.541 0.05 . 1 . . . A 273 GLY CA . 30171 1 412 . 1 1 37 37 GLY N N 15 106.819 0.029 . 1 . . . A 273 GLY N . 30171 1 413 . 1 1 38 38 ILE H H 1 7.525 0.011 . 1 . . . A 274 ILE H . 30171 1 414 . 1 1 38 38 ILE HA H 1 3.989 0.011 . 1 . . . A 274 ILE HA . 30171 1 415 . 1 1 38 38 ILE HB H 1 1.832 0.009 . 1 . . . A 274 ILE HB . 30171 1 416 . 1 1 38 38 ILE HG12 H 1 1.501 0.014 . 2 . . . A 274 ILE HG12 . 30171 1 417 . 1 1 38 38 ILE HG13 H 1 1.331 0.008 . 2 . . . A 274 ILE HG13 . 30171 1 418 . 1 1 38 38 ILE HG21 H 1 0.753 0.006 . 1 . . . A 274 ILE HG21 . 30171 1 419 . 1 1 38 38 ILE HG22 H 1 0.753 0.006 . 1 . . . A 274 ILE HG22 . 30171 1 420 . 1 1 38 38 ILE HG23 H 1 0.753 0.006 . 1 . . . A 274 ILE HG23 . 30171 1 421 . 1 1 38 38 ILE HD11 H 1 0.659 0.01 . 1 . . . A 274 ILE HD11 . 30171 1 422 . 1 1 38 38 ILE HD12 H 1 0.659 0.01 . 1 . . . A 274 ILE HD12 . 30171 1 423 . 1 1 38 38 ILE HD13 H 1 0.659 0.01 . 1 . . . A 274 ILE HD13 . 30171 1 424 . 1 1 38 38 ILE CA C 13 60.396 0.094 . 1 . . . A 274 ILE CA . 30171 1 425 . 1 1 38 38 ILE CB C 13 36.816 0.103 . 1 . . . A 274 ILE CB . 30171 1 426 . 1 1 38 38 ILE CG1 C 13 28.236 0.059 . 1 . . . A 274 ILE CG1 . 30171 1 427 . 1 1 38 38 ILE CG2 C 13 18.277 0.074 . 1 . . . A 274 ILE CG2 . 30171 1 428 . 1 1 38 38 ILE CD1 C 13 11.289 0.075 . 1 . . . A 274 ILE CD1 . 30171 1 429 . 1 1 38 38 ILE N N 15 121.024 0.03 . 1 . . . A 274 ILE N . 30171 1 430 . 1 1 39 39 LYS H H 1 8.474 0.017 . 1 . . . A 275 LYS H . 30171 1 431 . 1 1 39 39 LYS HA H 1 4.738 0.009 . 1 . . . A 275 LYS HA . 30171 1 432 . 1 1 39 39 LYS HB2 H 1 1.83 0.012 . 2 . . . A 275 LYS HB2 . 30171 1 433 . 1 1 39 39 LYS HB3 H 1 1.914 0.005 . 2 . . . A 275 LYS HB3 . 30171 1 434 . 1 1 39 39 LYS HG2 H 1 1.449 0.007 . 2 . . . A 275 LYS HG2 . 30171 1 435 . 1 1 39 39 LYS HG3 H 1 1.802 0.002 . 2 . . . A 275 LYS HG3 . 30171 1 436 . 1 1 39 39 LYS HD2 H 1 1.623 0.005 . 2 . . . A 275 LYS HD2 . 30171 1 437 . 1 1 39 39 LYS HD3 H 1 1.634 0.001 . 2 . . . A 275 LYS HD3 . 30171 1 438 . 1 1 39 39 LYS HE2 H 1 3.011 0.004 . 1 . . . A 275 LYS HE2 . 30171 1 439 . 1 1 39 39 LYS CA C 13 55.216 0.056 . 1 . . . A 275 LYS CA . 30171 1 440 . 1 1 39 39 LYS CB C 13 36.65 0.054 . 1 . . . A 275 LYS CB . 30171 1 441 . 1 1 39 39 LYS CG C 13 24.602 0.065 . 1 . . . A 275 LYS CG . 30171 1 442 . 1 1 39 39 LYS CD C 13 29.116 0.081 . 1 . . . A 275 LYS CD . 30171 1 443 . 1 1 39 39 LYS CE C 13 42.248 0.049 . 1 . . . A 275 LYS CE . 30171 1 444 . 1 1 39 39 LYS N N 15 127.792 0.042 . 1 . . . A 275 LYS N . 30171 1 445 . 1 1 40 40 VAL H H 1 8.597 0.013 . 1 . . . A 276 VAL H . 30171 1 446 . 1 1 40 40 VAL HA H 1 4.848 0.013 . 1 . . . A 276 VAL HA . 30171 1 447 . 1 1 40 40 VAL HB H 1 2.29 0.009 . 1 . . . A 276 VAL HB . 30171 1 448 . 1 1 40 40 VAL HG11 H 1 0.783 0.005 . 2 . . . A 276 VAL HG11 . 30171 1 449 . 1 1 40 40 VAL HG12 H 1 0.783 0.005 . 2 . . . A 276 VAL HG12 . 30171 1 450 . 1 1 40 40 VAL HG13 H 1 0.783 0.005 . 2 . . . A 276 VAL HG13 . 30171 1 451 . 1 1 40 40 VAL HG21 H 1 0.839 0.006 . 2 . . . A 276 VAL HG21 . 30171 1 452 . 1 1 40 40 VAL HG22 H 1 0.839 0.006 . 2 . . . A 276 VAL HG22 . 30171 1 453 . 1 1 40 40 VAL HG23 H 1 0.839 0.006 . 2 . . . A 276 VAL HG23 . 30171 1 454 . 1 1 40 40 VAL CA C 13 60.279 0.027 . 1 . . . A 276 VAL CA . 30171 1 455 . 1 1 40 40 VAL CB C 13 33.768 0.079 . 1 . . . A 276 VAL CB . 30171 1 456 . 1 1 40 40 VAL CG1 C 13 19.082 0.048 . 2 . . . A 276 VAL CG1 . 30171 1 457 . 1 1 40 40 VAL CG2 C 13 23.045 0.095 . 2 . . . A 276 VAL CG2 . 30171 1 458 . 1 1 40 40 VAL N N 15 112.766 0.136 . 1 . . . A 276 VAL N . 30171 1 459 . 1 1 41 41 ARG H H 1 7.459 0.021 . 1 . . . A 277 ARG H . 30171 1 460 . 1 1 41 41 ARG HA H 1 3.966 0.01 . 1 . . . A 277 ARG HA . 30171 1 461 . 1 1 41 41 ARG HB2 H 1 1.829 0.008 . 2 . . . A 277 ARG HB2 . 30171 1 462 . 1 1 41 41 ARG HB3 H 1 1.986 0.007 . 2 . . . A 277 ARG HB3 . 30171 1 463 . 1 1 41 41 ARG HG2 H 1 1.529 0.01 . 2 . . . A 277 ARG HG2 . 30171 1 464 . 1 1 41 41 ARG HG3 H 1 1.692 0.005 . 2 . . . A 277 ARG HG3 . 30171 1 465 . 1 1 41 41 ARG HD2 H 1 3.243 0.004 . 1 . . . A 277 ARG HD2 . 30171 1 466 . 1 1 41 41 ARG CA C 13 60.002 0.06 . 1 . . . A 277 ARG CA . 30171 1 467 . 1 1 41 41 ARG CB C 13 31.483 0.051 . 1 . . . A 277 ARG CB . 30171 1 468 . 1 1 41 41 ARG CG C 13 27.329 0.059 . 1 . . . A 277 ARG CG . 30171 1 469 . 1 1 41 41 ARG CD C 13 43.501 0.055 . 1 . . . A 277 ARG CD . 30171 1 470 . 1 1 41 41 ARG N N 15 126.292 0.039 . 1 . . . A 277 ARG N . 30171 1 471 . 1 1 42 42 GLN H H 1 11.479 0.015 . 1 . . . A 278 GLN H . 30171 1 472 . 1 1 42 42 GLN HA H 1 4.205 0.006 . 1 . . . A 278 GLN HA . 30171 1 473 . 1 1 42 42 GLN HB2 H 1 1.555 0.006 . 2 . . . A 278 GLN HB2 . 30171 1 474 . 1 1 42 42 GLN HB3 H 1 1.708 0.01 . 2 . . . A 278 GLN HB3 . 30171 1 475 . 1 1 42 42 GLN HG2 H 1 2.27 0.006 . 2 . . . A 278 GLN HG2 . 30171 1 476 . 1 1 42 42 GLN HG3 H 1 2.476 0.011 . 2 . . . A 278 GLN HG3 . 30171 1 477 . 1 1 42 42 GLN HE21 H 1 6.885 0.01 . 1 . . . A 278 GLN HE21 . 30171 1 478 . 1 1 42 42 GLN HE22 H 1 7.613 0.013 . 1 . . . A 278 GLN HE22 . 30171 1 479 . 1 1 42 42 GLN CA C 13 57.632 0.055 . 1 . . . A 278 GLN CA . 30171 1 480 . 1 1 42 42 GLN CB C 13 26.113 0.045 . 1 . . . A 278 GLN CB . 30171 1 481 . 1 1 42 42 GLN CG C 13 32.125 0.077 . 1 . . . A 278 GLN CG . 30171 1 482 . 1 1 42 42 GLN N N 15 122.239 0.031 . 1 . . . A 278 GLN N . 30171 1 483 . 1 1 42 42 GLN NE2 N 15 111.11 0.085 . 1 . . . A 278 GLN NE2 . 30171 1 484 . 1 1 43 43 LEU H H 1 9.637 0.012 . 1 . . . A 279 LEU H . 30171 1 485 . 1 1 43 43 LEU HA H 1 3.76 0.011 . 1 . . . A 279 LEU HA . 30171 1 486 . 1 1 43 43 LEU HB2 H 1 1.575 0.011 . 2 . . . A 279 LEU HB2 . 30171 1 487 . 1 1 43 43 LEU HB3 H 1 1.033 0.007 . 2 . . . A 279 LEU HB3 . 30171 1 488 . 1 1 43 43 LEU HG H 1 1.792 0.008 . 1 . . . A 279 LEU HG . 30171 1 489 . 1 1 43 43 LEU HD11 H 1 0.774 0.013 . 2 . . . A 279 LEU HD11 . 30171 1 490 . 1 1 43 43 LEU HD12 H 1 0.774 0.013 . 2 . . . A 279 LEU HD12 . 30171 1 491 . 1 1 43 43 LEU HD13 H 1 0.774 0.013 . 2 . . . A 279 LEU HD13 . 30171 1 492 . 1 1 43 43 LEU HD21 H 1 0.59 0.009 . 2 . . . A 279 LEU HD21 . 30171 1 493 . 1 1 43 43 LEU HD22 H 1 0.59 0.009 . 2 . . . A 279 LEU HD22 . 30171 1 494 . 1 1 43 43 LEU HD23 H 1 0.59 0.009 . 2 . . . A 279 LEU HD23 . 30171 1 495 . 1 1 43 43 LEU CA C 13 58.11 0.064 . 1 . . . A 279 LEU CA . 30171 1 496 . 1 1 43 43 LEU CB C 13 42.822 0.072 . 1 . . . A 279 LEU CB . 30171 1 497 . 1 1 43 43 LEU CG C 13 27.32 0.091 . 1 . . . A 279 LEU CG . 30171 1 498 . 1 1 43 43 LEU CD1 C 13 25.602 0.095 . 2 . . . A 279 LEU CD1 . 30171 1 499 . 1 1 43 43 LEU CD2 C 13 23.857 0.04 . 2 . . . A 279 LEU CD2 . 30171 1 500 . 1 1 43 43 LEU N N 15 124.011 0.04 . 1 . . . A 279 LEU N . 30171 1 501 . 1 1 44 44 SER H H 1 8.075 0.014 . 1 . . . A 280 SER H . 30171 1 502 . 1 1 44 44 SER HA H 1 3.968 0.007 . 1 . . . A 280 SER HA . 30171 1 503 . 1 1 44 44 SER HB2 H 1 3.82 0.021 . 1 . . . A 280 SER HB2 . 30171 1 504 . 1 1 44 44 SER CA C 13 62.569 0.045 . 1 . . . A 280 SER CA . 30171 1 505 . 1 1 44 44 SER CB C 13 62.778 0.032 . 1 . . . A 280 SER CB . 30171 1 506 . 1 1 44 44 SER N N 15 110.344 0.054 . 1 . . . A 280 SER N . 30171 1 507 . 1 1 45 45 LYS H H 1 7.429 0.018 . 1 . . . A 281 LYS H . 30171 1 508 . 1 1 45 45 LYS HA H 1 3.957 0.006 . 1 . . . A 281 LYS HA . 30171 1 509 . 1 1 45 45 LYS HB2 H 1 1.92 0.004 . 2 . . . A 281 LYS HB2 . 30171 1 510 . 1 1 45 45 LYS HB3 H 1 1.679 0.002 . 2 . . . A 281 LYS HB3 . 30171 1 511 . 1 1 45 45 LYS HG2 H 1 1.416 0.003 . 2 . . . A 281 LYS HG2 . 30171 1 512 . 1 1 45 45 LYS HG3 H 1 1.681 0.001 . 2 . . . A 281 LYS HG3 . 30171 1 513 . 1 1 45 45 LYS HD2 H 1 1.689 0.005 . 1 . . . A 281 LYS HD2 . 30171 1 514 . 1 1 45 45 LYS HE2 H 1 2.888 0.002 . 2 . . . A 281 LYS HE2 . 30171 1 515 . 1 1 45 45 LYS HE3 H 1 2.957 0.003 . 2 . . . A 281 LYS HE3 . 30171 1 516 . 1 1 45 45 LYS CA C 13 59.282 0.034 . 1 . . . A 281 LYS CA . 30171 1 517 . 1 1 45 45 LYS CB C 13 32.701 0.038 . 1 . . . A 281 LYS CB . 30171 1 518 . 1 1 45 45 LYS CG C 13 25.395 0.034 . 1 . . . A 281 LYS CG . 30171 1 519 . 1 1 45 45 LYS CD C 13 29.825 0.063 . 1 . . . A 281 LYS CD . 30171 1 520 . 1 1 45 45 LYS CE C 13 42.021 0.017 . 1 . . . A 281 LYS CE . 30171 1 521 . 1 1 45 45 LYS N N 15 122.233 0.027 . 1 . . . A 281 LYS N . 30171 1 522 . 1 1 46 46 LEU H H 1 7.297 0.016 . 1 . . . A 282 LEU H . 30171 1 523 . 1 1 46 46 LEU HA H 1 4.102 0.008 . 1 . . . A 282 LEU HA . 30171 1 524 . 1 1 46 46 LEU HB2 H 1 1.974 0.011 . 2 . . . A 282 LEU HB2 . 30171 1 525 . 1 1 46 46 LEU HB3 H 1 1.557 0.006 . 2 . . . A 282 LEU HB3 . 30171 1 526 . 1 1 46 46 LEU HD11 H 1 0.892 0.008 . 2 . . . A 282 LEU HD11 . 30171 1 527 . 1 1 46 46 LEU HD12 H 1 0.892 0.008 . 2 . . . A 282 LEU HD12 . 30171 1 528 . 1 1 46 46 LEU HD13 H 1 0.892 0.008 . 2 . . . A 282 LEU HD13 . 30171 1 529 . 1 1 46 46 LEU HD21 H 1 0.95 0.005 . 2 . . . A 282 LEU HD21 . 30171 1 530 . 1 1 46 46 LEU HD22 H 1 0.95 0.005 . 2 . . . A 282 LEU HD22 . 30171 1 531 . 1 1 46 46 LEU HD23 H 1 0.95 0.005 . 2 . . . A 282 LEU HD23 . 30171 1 532 . 1 1 46 46 LEU CA C 13 56.311 0.057 . 1 . . . A 282 LEU CA . 30171 1 533 . 1 1 46 46 LEU CB C 13 41.198 0.105 . 1 . . . A 282 LEU CB . 30171 1 534 . 1 1 46 46 LEU CD1 C 13 27.302 0.084 . 2 . . . A 282 LEU CD1 . 30171 1 535 . 1 1 46 46 LEU CD2 C 13 23.09 0.034 . 2 . . . A 282 LEU CD2 . 30171 1 536 . 1 1 46 46 LEU N N 15 116.276 0.068 . 1 . . . A 282 LEU N . 30171 1 537 . 1 1 47 47 LEU H H 1 7.114 0.016 . 1 . . . A 283 LEU H . 30171 1 538 . 1 1 47 47 LEU HA H 1 4.255 0.006 . 1 . . . A 283 LEU HA . 30171 1 539 . 1 1 47 47 LEU HB2 H 1 1.668 0.011 . 2 . . . A 283 LEU HB2 . 30171 1 540 . 1 1 47 47 LEU HB3 H 1 1.892 0.006 . 2 . . . A 283 LEU HB3 . 30171 1 541 . 1 1 47 47 LEU HD11 H 1 0.863 0.006 . 2 . . . A 283 LEU HD11 . 30171 1 542 . 1 1 47 47 LEU HD12 H 1 0.863 0.006 . 2 . . . A 283 LEU HD12 . 30171 1 543 . 1 1 47 47 LEU HD13 H 1 0.863 0.006 . 2 . . . A 283 LEU HD13 . 30171 1 544 . 1 1 47 47 LEU HD21 H 1 0.922 0.004 . 2 . . . A 283 LEU HD21 . 30171 1 545 . 1 1 47 47 LEU HD22 H 1 0.922 0.004 . 2 . . . A 283 LEU HD22 . 30171 1 546 . 1 1 47 47 LEU HD23 H 1 0.922 0.004 . 2 . . . A 283 LEU HD23 . 30171 1 547 . 1 1 47 47 LEU CA C 13 54.347 0.048 . 1 . . . A 283 LEU CA . 30171 1 548 . 1 1 47 47 LEU CB C 13 41.668 0.084 . 1 . . . A 283 LEU CB . 30171 1 549 . 1 1 47 47 LEU CD1 C 13 23.472 0.06 . 2 . . . A 283 LEU CD1 . 30171 1 550 . 1 1 47 47 LEU CD2 C 13 25.815 0.032 . 2 . . . A 283 LEU CD2 . 30171 1 551 . 1 1 47 47 LEU N N 15 113.844 0.067 . 1 . . . A 283 LEU N . 30171 1 552 . 1 1 48 48 ARG H H 1 7.285 0.016 . 1 . . . A 284 ARG H . 30171 1 553 . 1 1 48 48 ARG HA H 1 4.253 0.005 . 1 . . . A 284 ARG HA . 30171 1 554 . 1 1 48 48 ARG HB2 H 1 1.855 0.013 . 2 . . . A 284 ARG HB2 . 30171 1 555 . 1 1 48 48 ARG HB3 H 1 1.907 0.008 . 2 . . . A 284 ARG HB3 . 30171 1 556 . 1 1 48 48 ARG HG2 H 1 1.767 0.002 . 2 . . . A 284 ARG HG2 . 30171 1 557 . 1 1 48 48 ARG HG3 H 1 1.672 0.005 . 2 . . . A 284 ARG HG3 . 30171 1 558 . 1 1 48 48 ARG HD2 H 1 3.227 0.006 . 1 . . . A 284 ARG HD2 . 30171 1 559 . 1 1 48 48 ARG CA C 13 57.18 0.053 . 1 . . . A 284 ARG CA . 30171 1 560 . 1 1 48 48 ARG CB C 13 30.636 0.073 . 1 . . . A 284 ARG CB . 30171 1 561 . 1 1 48 48 ARG CG C 13 27.172 0.026 . 1 . . . A 284 ARG CG . 30171 1 562 . 1 1 48 48 ARG CD C 13 43.62 0.048 . 1 . . . A 284 ARG CD . 30171 1 563 . 1 1 48 48 ARG N N 15 120.048 0.042 . 1 . . . A 284 ARG N . 30171 1 564 . 1 1 49 49 GLY H H 1 8.506 0.011 . 1 . . . A 285 GLY H . 30171 1 565 . 1 1 49 49 GLY HA2 H 1 3.939 0.008 . 1 . . . A 285 GLY HA2 . 30171 1 566 . 1 1 49 49 GLY CA C 13 45.256 0.065 . 1 . . . A 285 GLY CA . 30171 1 567 . 1 1 49 49 GLY N N 15 110.822 0.078 . 1 . . . A 285 GLY N . 30171 1 568 . 1 1 50 50 THR H H 1 8.027 0.017 . 1 . . . A 286 THR H . 30171 1 569 . 1 1 50 50 THR HA H 1 4.412 0.012 . 1 . . . A 286 THR HA . 30171 1 570 . 1 1 50 50 THR HB H 1 4.274 0.017 . 1 . . . A 286 THR HB . 30171 1 571 . 1 1 50 50 THR HG21 H 1 1.189 0.011 . 1 . . . A 286 THR HG21 . 30171 1 572 . 1 1 50 50 THR HG22 H 1 1.189 0.011 . 1 . . . A 286 THR HG22 . 30171 1 573 . 1 1 50 50 THR HG23 H 1 1.189 0.011 . 1 . . . A 286 THR HG23 . 30171 1 574 . 1 1 50 50 THR CA C 13 61.599 0.053 . 1 . . . A 286 THR CA . 30171 1 575 . 1 1 50 50 THR CB C 13 69.871 0.127 . 1 . . . A 286 THR CB . 30171 1 576 . 1 1 50 50 THR CG2 C 13 22.022 0.071 . 1 . . . A 286 THR CG2 . 30171 1 577 . 1 1 50 50 THR N N 15 112.981 0.039 . 1 . . . A 286 THR N . 30171 1 578 . 1 1 51 51 LYS H H 1 8.54 0.013 . 1 . . . A 287 LYS H . 30171 1 579 . 1 1 51 51 LYS HA H 1 4.458 0.008 . 1 . . . A 287 LYS HA . 30171 1 580 . 1 1 51 51 LYS HB2 H 1 1.749 0.02 . 2 . . . A 287 LYS HB2 . 30171 1 581 . 1 1 51 51 LYS HB3 H 1 1.818 0.01 . 2 . . . A 287 LYS HB3 . 30171 1 582 . 1 1 51 51 LYS HG2 H 1 1.43 0.003 . 2 . . . A 287 LYS HG2 . 30171 1 583 . 1 1 51 51 LYS HG3 H 1 1.637 0.001 . 2 . . . A 287 LYS HG3 . 30171 1 584 . 1 1 51 51 LYS HD2 H 1 1.624 0.009 . 2 . . . A 287 LYS HD2 . 30171 1 585 . 1 1 51 51 LYS HD3 H 1 1.806 0.007 . 2 . . . A 287 LYS HD3 . 30171 1 586 . 1 1 51 51 LYS HE2 H 1 3.016 0.004 . 1 . . . A 287 LYS HE2 . 30171 1 587 . 1 1 51 51 LYS CA C 13 56.334 0.035 . 1 . . . A 287 LYS CA . 30171 1 588 . 1 1 51 51 LYS CB C 13 35.169 0.027 . 1 . . . A 287 LYS CB . 30171 1 589 . 1 1 51 51 LYS CG C 13 25.126 0.068 . 1 . . . A 287 LYS CG . 30171 1 590 . 1 1 51 51 LYS CD C 13 29.166 0.044 . 1 . . . A 287 LYS CD . 30171 1 591 . 1 1 51 51 LYS CE C 13 42.396 0 . 1 . . . A 287 LYS CE . 30171 1 592 . 1 1 51 51 LYS N N 15 122.878 0.045 . 1 . . . A 287 LYS N . 30171 1 593 . 1 1 52 52 ALA H H 1 8.518 0.01 . 1 . . . A 288 ALA H . 30171 1 594 . 1 1 52 52 ALA HA H 1 4.466 0.014 . 1 . . . A 288 ALA HA . 30171 1 595 . 1 1 52 52 ALA HB1 H 1 1.512 0.006 . 1 . . . A 288 ALA HB1 . 30171 1 596 . 1 1 52 52 ALA HB2 H 1 1.512 0.006 . 1 . . . A 288 ALA HB2 . 30171 1 597 . 1 1 52 52 ALA HB3 H 1 1.512 0.006 . 1 . . . A 288 ALA HB3 . 30171 1 598 . 1 1 52 52 ALA CA C 13 51.952 0.064 . 1 . . . A 288 ALA CA . 30171 1 599 . 1 1 52 52 ALA CB C 13 20.017 0.035 . 1 . . . A 288 ALA CB . 30171 1 600 . 1 1 52 52 ALA N N 15 123.914 0.033 . 1 . . . A 288 ALA N . 30171 1 601 . 1 1 53 53 LEU H H 1 8.483 0.01 . 1 . . . A 289 LEU H . 30171 1 602 . 1 1 53 53 LEU HA H 1 3.949 0.006 . 1 . . . A 289 LEU HA . 30171 1 603 . 1 1 53 53 LEU HB2 H 1 1.829 0.007 . 2 . . . A 289 LEU HB2 . 30171 1 604 . 1 1 53 53 LEU HB3 H 1 1.507 0.005 . 2 . . . A 289 LEU HB3 . 30171 1 605 . 1 1 53 53 LEU HG H 1 1.821 0.007 . 1 . . . A 289 LEU HG . 30171 1 606 . 1 1 53 53 LEU HD11 H 1 0.89 0.017 . 2 . . . A 289 LEU HD11 . 30171 1 607 . 1 1 53 53 LEU HD12 H 1 0.89 0.017 . 2 . . . A 289 LEU HD12 . 30171 1 608 . 1 1 53 53 LEU HD13 H 1 0.89 0.017 . 2 . . . A 289 LEU HD13 . 30171 1 609 . 1 1 53 53 LEU HD21 H 1 0.957 0.008 . 2 . . . A 289 LEU HD21 . 30171 1 610 . 1 1 53 53 LEU HD22 H 1 0.957 0.008 . 2 . . . A 289 LEU HD22 . 30171 1 611 . 1 1 53 53 LEU HD23 H 1 0.957 0.008 . 2 . . . A 289 LEU HD23 . 30171 1 612 . 1 1 53 53 LEU CA C 13 57.78 0.065 . 1 . . . A 289 LEU CA . 30171 1 613 . 1 1 53 53 LEU CB C 13 42.595 0.096 . 1 . . . A 289 LEU CB . 30171 1 614 . 1 1 53 53 LEU CG C 13 27.36 0.046 . 1 . . . A 289 LEU CG . 30171 1 615 . 1 1 53 53 LEU CD1 C 13 23.108 0.044 . 2 . . . A 289 LEU CD1 . 30171 1 616 . 1 1 53 53 LEU CD2 C 13 25.14 0.049 . 2 . . . A 289 LEU CD2 . 30171 1 617 . 1 1 53 53 LEU N N 15 119.238 0.033 . 1 . . . A 289 LEU N . 30171 1 618 . 1 1 54 54 THR H H 1 7.23 0.017 . 1 . . . A 290 THR H . 30171 1 619 . 1 1 54 54 THR HA H 1 4.267 0.008 . 1 . . . A 290 THR HA . 30171 1 620 . 1 1 54 54 THR HB H 1 4.54 0.009 . 1 . . . A 290 THR HB . 30171 1 621 . 1 1 54 54 THR HG21 H 1 1.233 0.008 . 1 . . . A 290 THR HG21 . 30171 1 622 . 1 1 54 54 THR HG22 H 1 1.233 0.008 . 1 . . . A 290 THR HG22 . 30171 1 623 . 1 1 54 54 THR HG23 H 1 1.233 0.008 . 1 . . . A 290 THR HG23 . 30171 1 624 . 1 1 54 54 THR CA C 13 60.725 0.05 . 1 . . . A 290 THR CA . 30171 1 625 . 1 1 54 54 THR CB C 13 69.2 0.078 . 1 . . . A 290 THR CB . 30171 1 626 . 1 1 54 54 THR CG2 C 13 22.015 0.043 . 1 . . . A 290 THR CG2 . 30171 1 627 . 1 1 54 54 THR N N 15 101.922 0.043 . 1 . . . A 290 THR N . 30171 1 628 . 1 1 55 55 GLU H H 1 7.455 0.014 . 1 . . . A 291 GLU H . 30171 1 629 . 1 1 55 55 GLU HA H 1 4.185 0.011 . 1 . . . A 291 GLU HA . 30171 1 630 . 1 1 55 55 GLU HB2 H 1 2.103 0.01 . 1 . . . A 291 GLU HB2 . 30171 1 631 . 1 1 55 55 GLU HG2 H 1 2.27 0.003 . 2 . . . A 291 GLU HG2 . 30171 1 632 . 1 1 55 55 GLU HG3 H 1 2.359 0.005 . 2 . . . A 291 GLU HG3 . 30171 1 633 . 1 1 55 55 GLU CA C 13 57.34 0.08 . 1 . . . A 291 GLU CA . 30171 1 634 . 1 1 55 55 GLU CB C 13 30.652 0.041 . 1 . . . A 291 GLU CB . 30171 1 635 . 1 1 55 55 GLU CG C 13 37.073 0.105 . 1 . . . A 291 GLU CG . 30171 1 636 . 1 1 55 55 GLU N N 15 122.981 0.037 . 1 . . . A 291 GLU N . 30171 1 637 . 1 1 56 56 VAL H H 1 8.387 0.015 . 1 . . . A 292 VAL H . 30171 1 638 . 1 1 56 56 VAL HA H 1 4.348 0.012 . 1 . . . A 292 VAL HA . 30171 1 639 . 1 1 56 56 VAL HB H 1 1.931 0.01 . 1 . . . A 292 VAL HB . 30171 1 640 . 1 1 56 56 VAL HG11 H 1 0.892 0.008 . 2 . . . A 292 VAL HG11 . 30171 1 641 . 1 1 56 56 VAL HG12 H 1 0.892 0.008 . 2 . . . A 292 VAL HG12 . 30171 1 642 . 1 1 56 56 VAL HG13 H 1 0.892 0.008 . 2 . . . A 292 VAL HG13 . 30171 1 643 . 1 1 56 56 VAL HG21 H 1 0.965 0.007 . 2 . . . A 292 VAL HG21 . 30171 1 644 . 1 1 56 56 VAL HG22 H 1 0.965 0.007 . 2 . . . A 292 VAL HG22 . 30171 1 645 . 1 1 56 56 VAL HG23 H 1 0.965 0.007 . 2 . . . A 292 VAL HG23 . 30171 1 646 . 1 1 56 56 VAL CA C 13 62.738 0.027 . 1 . . . A 292 VAL CA . 30171 1 647 . 1 1 56 56 VAL CB C 13 32.289 0.036 . 1 . . . A 292 VAL CB . 30171 1 648 . 1 1 56 56 VAL CG1 C 13 21.406 0.063 . 2 . . . A 292 VAL CG1 . 30171 1 649 . 1 1 56 56 VAL CG2 C 13 22.089 0.094 . 2 . . . A 292 VAL CG2 . 30171 1 650 . 1 1 56 56 VAL N N 15 124.283 0.044 . 1 . . . A 292 VAL N . 30171 1 651 . 1 1 57 57 ILE H H 1 8.938 0.01 . 1 . . . A 293 ILE H . 30171 1 652 . 1 1 57 57 ILE HA H 1 4.788 0.009 . 1 . . . A 293 ILE HA . 30171 1 653 . 1 1 57 57 ILE HB H 1 1.827 0.008 . 1 . . . A 293 ILE HB . 30171 1 654 . 1 1 57 57 ILE HG12 H 1 1.221 0.014 . 2 . . . A 293 ILE HG12 . 30171 1 655 . 1 1 57 57 ILE HG13 H 1 1.368 0.005 . 2 . . . A 293 ILE HG13 . 30171 1 656 . 1 1 57 57 ILE HG21 H 1 0.854 0.003 . 1 . . . A 293 ILE HG21 . 30171 1 657 . 1 1 57 57 ILE HG22 H 1 0.854 0.003 . 1 . . . A 293 ILE HG22 . 30171 1 658 . 1 1 57 57 ILE HG23 H 1 0.854 0.003 . 1 . . . A 293 ILE HG23 . 30171 1 659 . 1 1 57 57 ILE HD11 H 1 0.783 0.004 . 1 . . . A 293 ILE HD11 . 30171 1 660 . 1 1 57 57 ILE HD12 H 1 0.783 0.004 . 1 . . . A 293 ILE HD12 . 30171 1 661 . 1 1 57 57 ILE HD13 H 1 0.783 0.004 . 1 . . . A 293 ILE HD13 . 30171 1 662 . 1 1 57 57 ILE CA C 13 56.091 0.016 . 1 . . . A 293 ILE CA . 30171 1 663 . 1 1 57 57 ILE CB C 13 40.119 0.056 . 1 . . . A 293 ILE CB . 30171 1 664 . 1 1 57 57 ILE CG1 C 13 26.543 0.023 . 1 . . . A 293 ILE CG1 . 30171 1 665 . 1 1 57 57 ILE CG2 C 13 17.944 0.045 . 1 . . . A 293 ILE CG2 . 30171 1 666 . 1 1 57 57 ILE CD1 C 13 13.092 0.02 . 1 . . . A 293 ILE CD1 . 30171 1 667 . 1 1 57 57 ILE N N 15 128.304 0.073 . 1 . . . A 293 ILE N . 30171 1 668 . 1 1 58 58 PRO CA C 13 61.861 0.005 . 1 . . . A 294 PRO CA . 30171 1 669 . 1 1 58 58 PRO CB C 13 31.634 0.019 . 1 . . . A 294 PRO CB . 30171 1 670 . 1 1 59 59 LEU H H 1 8.592 0.016 . 1 . . . A 295 LEU H . 30171 1 671 . 1 1 59 59 LEU HA H 1 4.105 0.009 . 1 . . . A 295 LEU HA . 30171 1 672 . 1 1 59 59 LEU HB2 H 1 1.754 0.009 . 2 . . . A 295 LEU HB2 . 30171 1 673 . 1 1 59 59 LEU HB3 H 1 1.311 0.01 . 2 . . . A 295 LEU HB3 . 30171 1 674 . 1 1 59 59 LEU HG H 1 1.564 0.009 . 1 . . . A 295 LEU HG . 30171 1 675 . 1 1 59 59 LEU HD11 H 1 0.241 0.009 . 2 . . . A 295 LEU HD11 . 30171 1 676 . 1 1 59 59 LEU HD12 H 1 0.241 0.009 . 2 . . . A 295 LEU HD12 . 30171 1 677 . 1 1 59 59 LEU HD13 H 1 0.241 0.009 . 2 . . . A 295 LEU HD13 . 30171 1 678 . 1 1 59 59 LEU HD21 H 1 0.414 0.009 . 2 . . . A 295 LEU HD21 . 30171 1 679 . 1 1 59 59 LEU HD22 H 1 0.414 0.009 . 2 . . . A 295 LEU HD22 . 30171 1 680 . 1 1 59 59 LEU HD23 H 1 0.414 0.009 . 2 . . . A 295 LEU HD23 . 30171 1 681 . 1 1 59 59 LEU CA C 13 55.941 0.068 . 1 . . . A 295 LEU CA . 30171 1 682 . 1 1 59 59 LEU CB C 13 41.424 0.089 . 1 . . . A 295 LEU CB . 30171 1 683 . 1 1 59 59 LEU CG C 13 28.074 0.168 . 1 . . . A 295 LEU CG . 30171 1 684 . 1 1 59 59 LEU CD1 C 13 22.692 0.045 . 2 . . . A 295 LEU CD1 . 30171 1 685 . 1 1 59 59 LEU CD2 C 13 25.116 0.031 . 2 . . . A 295 LEU CD2 . 30171 1 686 . 1 1 59 59 LEU N N 15 122.579 0.043 . 1 . . . A 295 LEU N . 30171 1 687 . 1 1 60 60 THR H H 1 6.301 0.013 . 1 . . . A 296 THR H . 30171 1 688 . 1 1 60 60 THR HA H 1 4.375 0.007 . 1 . . . A 296 THR HA . 30171 1 689 . 1 1 60 60 THR HB H 1 4.763 0.026 . 1 . . . A 296 THR HB . 30171 1 690 . 1 1 60 60 THR HG21 H 1 1.354 0.013 . 1 . . . A 296 THR HG21 . 30171 1 691 . 1 1 60 60 THR HG22 H 1 1.354 0.013 . 1 . . . A 296 THR HG22 . 30171 1 692 . 1 1 60 60 THR HG23 H 1 1.354 0.013 . 1 . . . A 296 THR HG23 . 30171 1 693 . 1 1 60 60 THR CA C 13 59.894 0.061 . 1 . . . A 296 THR CA . 30171 1 694 . 1 1 60 60 THR CB C 13 70.962 0.121 . 1 . . . A 296 THR CB . 30171 1 695 . 1 1 60 60 THR CG2 C 13 22.849 0.017 . 1 . . . A 296 THR CG2 . 30171 1 696 . 1 1 60 60 THR N N 15 110.627 0.026 . 1 . . . A 296 THR N . 30171 1 697 . 1 1 61 61 GLU H H 1 9.172 0.01 . 1 . . . A 297 GLU H . 30171 1 698 . 1 1 61 61 GLU HA H 1 4.04 0.007 . 1 . . . A 297 GLU HA . 30171 1 699 . 1 1 61 61 GLU HB2 H 1 2.054 0.007 . 2 . . . A 297 GLU HB2 . 30171 1 700 . 1 1 61 61 GLU HB3 H 1 1.968 0.003 . 2 . . . A 297 GLU HB3 . 30171 1 701 . 1 1 61 61 GLU HG2 H 1 2.253 0.003 . 2 . . . A 297 GLU HG2 . 30171 1 702 . 1 1 61 61 GLU HG3 H 1 2.337 0.003 . 2 . . . A 297 GLU HG3 . 30171 1 703 . 1 1 61 61 GLU CA C 13 60.068 0.131 . 1 . . . A 297 GLU CA . 30171 1 704 . 1 1 61 61 GLU CB C 13 29.484 0.055 . 1 . . . A 297 GLU CB . 30171 1 705 . 1 1 61 61 GLU CG C 13 36.614 0.068 . 1 . . . A 297 GLU CG . 30171 1 706 . 1 1 61 61 GLU N N 15 123.025 0.034 . 1 . . . A 297 GLU N . 30171 1 707 . 1 1 62 62 GLU H H 1 9.374 0.013 . 1 . . . A 298 GLU H . 30171 1 708 . 1 1 62 62 GLU HA H 1 3.95 0.007 . 1 . . . A 298 GLU HA . 30171 1 709 . 1 1 62 62 GLU HB2 H 1 1.78 0.011 . 2 . . . A 298 GLU HB2 . 30171 1 710 . 1 1 62 62 GLU HB3 H 1 1.893 0.01 . 2 . . . A 298 GLU HB3 . 30171 1 711 . 1 1 62 62 GLU HG2 H 1 2.282 0.008 . 2 . . . A 298 GLU HG2 . 30171 1 712 . 1 1 62 62 GLU HG3 H 1 2.414 0.002 . 2 . . . A 298 GLU HG3 . 30171 1 713 . 1 1 62 62 GLU CA C 13 60.405 0.065 . 1 . . . A 298 GLU CA . 30171 1 714 . 1 1 62 62 GLU CB C 13 28.502 0.036 . 1 . . . A 298 GLU CB . 30171 1 715 . 1 1 62 62 GLU CG C 13 37.141 0.06 . 1 . . . A 298 GLU CG . 30171 1 716 . 1 1 62 62 GLU N N 15 116.556 0.031 . 1 . . . A 298 GLU N . 30171 1 717 . 1 1 63 63 ALA H H 1 7.865 0.011 . 1 . . . A 299 ALA H . 30171 1 718 . 1 1 63 63 ALA HA H 1 3.861 0.009 . 1 . . . A 299 ALA HA . 30171 1 719 . 1 1 63 63 ALA HB1 H 1 1.271 0.008 . 1 . . . A 299 ALA HB1 . 30171 1 720 . 1 1 63 63 ALA HB2 H 1 1.271 0.008 . 1 . . . A 299 ALA HB2 . 30171 1 721 . 1 1 63 63 ALA HB3 H 1 1.271 0.008 . 1 . . . A 299 ALA HB3 . 30171 1 722 . 1 1 63 63 ALA CA C 13 55.096 0.09 . 1 . . . A 299 ALA CA . 30171 1 723 . 1 1 63 63 ALA CB C 13 18.628 0.039 . 1 . . . A 299 ALA CB . 30171 1 724 . 1 1 63 63 ALA N N 15 123.079 0.026 . 1 . . . A 299 ALA N . 30171 1 725 . 1 1 64 64 GLU H H 1 8.488 0.016 . 1 . . . A 300 GLU H . 30171 1 726 . 1 1 64 64 GLU HA H 1 3.886 0.009 . 1 . . . A 300 GLU HA . 30171 1 727 . 1 1 64 64 GLU HB2 H 1 2.147 0.013 . 2 . . . A 300 GLU HB2 . 30171 1 728 . 1 1 64 64 GLU HB3 H 1 2.064 0.005 . 2 . . . A 300 GLU HB3 . 30171 1 729 . 1 1 64 64 GLU HG2 H 1 2.323 0.005 . 2 . . . A 300 GLU HG2 . 30171 1 730 . 1 1 64 64 GLU HG3 H 1 2.147 0.006 . 2 . . . A 300 GLU HG3 . 30171 1 731 . 1 1 64 64 GLU CA C 13 60.062 0.059 . 1 . . . A 300 GLU CA . 30171 1 732 . 1 1 64 64 GLU CB C 13 29.388 0.076 . 1 . . . A 300 GLU CB . 30171 1 733 . 1 1 64 64 GLU CG C 13 36.586 0.037 . 1 . . . A 300 GLU CG . 30171 1 734 . 1 1 64 64 GLU N N 15 118.779 0.062 . 1 . . . A 300 GLU N . 30171 1 735 . 1 1 65 65 LEU H H 1 8.064 0.013 . 1 . . . A 301 LEU H . 30171 1 736 . 1 1 65 65 LEU HA H 1 4.162 0.007 . 1 . . . A 301 LEU HA . 30171 1 737 . 1 1 65 65 LEU HB2 H 1 1.641 0.009 . 2 . . . A 301 LEU HB2 . 30171 1 738 . 1 1 65 65 LEU HB3 H 1 1.723 0.009 . 2 . . . A 301 LEU HB3 . 30171 1 739 . 1 1 65 65 LEU HG H 1 1.732 0.003 . 1 . . . A 301 LEU HG . 30171 1 740 . 1 1 65 65 LEU HD11 H 1 0.884 0.004 . 2 . . . A 301 LEU HD11 . 30171 1 741 . 1 1 65 65 LEU HD12 H 1 0.884 0.004 . 2 . . . A 301 LEU HD12 . 30171 1 742 . 1 1 65 65 LEU HD13 H 1 0.884 0.004 . 2 . . . A 301 LEU HD13 . 30171 1 743 . 1 1 65 65 LEU HD21 H 1 0.9 0.007 . 2 . . . A 301 LEU HD21 . 30171 1 744 . 1 1 65 65 LEU HD22 H 1 0.9 0.007 . 2 . . . A 301 LEU HD22 . 30171 1 745 . 1 1 65 65 LEU HD23 H 1 0.9 0.007 . 2 . . . A 301 LEU HD23 . 30171 1 746 . 1 1 65 65 LEU CA C 13 57.964 0.031 . 1 . . . A 301 LEU CA . 30171 1 747 . 1 1 65 65 LEU CB C 13 41.657 0.053 . 1 . . . A 301 LEU CB . 30171 1 748 . 1 1 65 65 LEU CG C 13 26.887 0.116 . 1 . . . A 301 LEU CG . 30171 1 749 . 1 1 65 65 LEU CD1 C 13 23.805 0.016 . 2 . . . A 301 LEU CD1 . 30171 1 750 . 1 1 65 65 LEU CD2 C 13 24.641 0.043 . 2 . . . A 301 LEU CD2 . 30171 1 751 . 1 1 65 65 LEU N N 15 120.865 0.028 . 1 . . . A 301 LEU N . 30171 1 752 . 1 1 66 66 GLU H H 1 7.571 0.016 . 1 . . . A 302 GLU H . 30171 1 753 . 1 1 66 66 GLU HA H 1 4.037 0.006 . 1 . . . A 302 GLU HA . 30171 1 754 . 1 1 66 66 GLU HB2 H 1 2.036 0.007 . 2 . . . A 302 GLU HB2 . 30171 1 755 . 1 1 66 66 GLU HB3 H 1 2.218 0.013 . 2 . . . A 302 GLU HB3 . 30171 1 756 . 1 1 66 66 GLU HG2 H 1 2.502 0.013 . 2 . . . A 302 GLU HG2 . 30171 1 757 . 1 1 66 66 GLU HG3 H 1 2.227 0.006 . 2 . . . A 302 GLU HG3 . 30171 1 758 . 1 1 66 66 GLU CA C 13 59.993 0.125 . 1 . . . A 302 GLU CA . 30171 1 759 . 1 1 66 66 GLU CB C 13 31.773 0.06 . 1 . . . A 302 GLU CB . 30171 1 760 . 1 1 66 66 GLU CG C 13 36.718 0.087 . 1 . . . A 302 GLU CG . 30171 1 761 . 1 1 66 66 GLU N N 15 121.087 0.177 . 1 . . . A 302 GLU N . 30171 1 762 . 1 1 67 67 LEU H H 1 8.388 0.012 . 1 . . . A 303 LEU H . 30171 1 763 . 1 1 67 67 LEU HA H 1 3.875 0.009 . 1 . . . A 303 LEU HA . 30171 1 764 . 1 1 67 67 LEU HB2 H 1 1.529 0.009 . 2 . . . A 303 LEU HB2 . 30171 1 765 . 1 1 67 67 LEU HB3 H 1 1.952 0.008 . 2 . . . A 303 LEU HB3 . 30171 1 766 . 1 1 67 67 LEU HG H 1 1.639 0.004 . 1 . . . A 303 LEU HG . 30171 1 767 . 1 1 67 67 LEU HD11 H 1 0.8 0.004 . 2 . . . A 303 LEU HD11 . 30171 1 768 . 1 1 67 67 LEU HD12 H 1 0.8 0.004 . 2 . . . A 303 LEU HD12 . 30171 1 769 . 1 1 67 67 LEU HD13 H 1 0.8 0.004 . 2 . . . A 303 LEU HD13 . 30171 1 770 . 1 1 67 67 LEU HD21 H 1 0.853 0.011 . 2 . . . A 303 LEU HD21 . 30171 1 771 . 1 1 67 67 LEU HD22 H 1 0.853 0.011 . 2 . . . A 303 LEU HD22 . 30171 1 772 . 1 1 67 67 LEU HD23 H 1 0.853 0.011 . 2 . . . A 303 LEU HD23 . 30171 1 773 . 1 1 67 67 LEU CA C 13 58.876 0.046 . 1 . . . A 303 LEU CA . 30171 1 774 . 1 1 67 67 LEU CB C 13 42.006 0.052 . 1 . . . A 303 LEU CB . 30171 1 775 . 1 1 67 67 LEU CG C 13 27.363 0.039 . 1 . . . A 303 LEU CG . 30171 1 776 . 1 1 67 67 LEU CD1 C 13 25.782 0.03 . 2 . . . A 303 LEU CD1 . 30171 1 777 . 1 1 67 67 LEU CD2 C 13 24.098 0.024 . 2 . . . A 303 LEU CD2 . 30171 1 778 . 1 1 67 67 LEU N N 15 119.014 0.047 . 1 . . . A 303 LEU N . 30171 1 779 . 1 1 68 68 ALA H H 1 8.146 0.014 . 1 . . . A 304 ALA H . 30171 1 780 . 1 1 68 68 ALA HA H 1 4.063 0.008 . 1 . . . A 304 ALA HA . 30171 1 781 . 1 1 68 68 ALA HB1 H 1 1.581 0.005 . 1 . . . A 304 ALA HB1 . 30171 1 782 . 1 1 68 68 ALA HB2 H 1 1.581 0.005 . 1 . . . A 304 ALA HB2 . 30171 1 783 . 1 1 68 68 ALA HB3 H 1 1.581 0.005 . 1 . . . A 304 ALA HB3 . 30171 1 784 . 1 1 68 68 ALA CA C 13 55.815 0.148 . 1 . . . A 304 ALA CA . 30171 1 785 . 1 1 68 68 ALA CB C 13 18.121 0.07 . 1 . . . A 304 ALA CB . 30171 1 786 . 1 1 68 68 ALA N N 15 120.864 0.039 . 1 . . . A 304 ALA N . 30171 1 787 . 1 1 69 69 GLU H H 1 8.403 0.012 . 1 . . . A 305 GLU H . 30171 1 788 . 1 1 69 69 GLU HA H 1 4.046 0.009 . 1 . . . A 305 GLU HA . 30171 1 789 . 1 1 69 69 GLU HB2 H 1 2.052 0.017 . 2 . . . A 305 GLU HB2 . 30171 1 790 . 1 1 69 69 GLU HB3 H 1 2.222 0.007 . 2 . . . A 305 GLU HB3 . 30171 1 791 . 1 1 69 69 GLU HG2 H 1 2.5 0.005 . 2 . . . A 305 GLU HG2 . 30171 1 792 . 1 1 69 69 GLU HG3 H 1 2.042 0.014 . 2 . . . A 305 GLU HG3 . 30171 1 793 . 1 1 69 69 GLU CA C 13 59.782 0.046 . 1 . . . A 305 GLU CA . 30171 1 794 . 1 1 69 69 GLU CB C 13 29.097 0.067 . 1 . . . A 305 GLU CB . 30171 1 795 . 1 1 69 69 GLU CG C 13 36.695 0.04 . 1 . . . A 305 GLU CG . 30171 1 796 . 1 1 69 69 GLU N N 15 119.905 0.052 . 1 . . . A 305 GLU N . 30171 1 797 . 1 1 70 70 ASN H H 1 8.392 0.014 . 1 . . . A 306 ASN H . 30171 1 798 . 1 1 70 70 ASN HA H 1 4.478 0.007 . 1 . . . A 306 ASN HA . 30171 1 799 . 1 1 70 70 ASN HB2 H 1 2.263 0.011 . 2 . . . A 306 ASN HB2 . 30171 1 800 . 1 1 70 70 ASN HB3 H 1 2.933 0.015 . 2 . . . A 306 ASN HB3 . 30171 1 801 . 1 1 70 70 ASN HD21 H 1 5.187 0.004 . 1 . . . A 306 ASN HD21 . 30171 1 802 . 1 1 70 70 ASN HD22 H 1 9.05 0.012 . 1 . . . A 306 ASN HD22 . 30171 1 803 . 1 1 70 70 ASN CA C 13 55.877 0.1 . 1 . . . A 306 ASN CA . 30171 1 804 . 1 1 70 70 ASN CB C 13 38.582 0.078 . 1 . . . A 306 ASN CB . 30171 1 805 . 1 1 70 70 ASN N N 15 118.165 0.081 . 1 . . . A 306 ASN N . 30171 1 806 . 1 1 70 70 ASN ND2 N 15 112.123 0.09 . 1 . . . A 306 ASN ND2 . 30171 1 807 . 1 1 71 71 ARG H H 1 8.514 0.015 . 1 . . . A 307 ARG H . 30171 1 808 . 1 1 71 71 ARG HA H 1 3.772 0.009 . 1 . . . A 307 ARG HA . 30171 1 809 . 1 1 71 71 ARG HB2 H 1 1.991 0.014 . 2 . . . A 307 ARG HB2 . 30171 1 810 . 1 1 71 71 ARG HB3 H 1 1.828 0.012 . 2 . . . A 307 ARG HB3 . 30171 1 811 . 1 1 71 71 ARG HG2 H 1 1.602 0.011 . 2 . . . A 307 ARG HG2 . 30171 1 812 . 1 1 71 71 ARG HG3 H 1 1.952 0.002 . 2 . . . A 307 ARG HG3 . 30171 1 813 . 1 1 71 71 ARG HD2 H 1 3.179 0.006 . 2 . . . A 307 ARG HD2 . 30171 1 814 . 1 1 71 71 ARG HD3 H 1 3.322 0.007 . 2 . . . A 307 ARG HD3 . 30171 1 815 . 1 1 71 71 ARG CA C 13 60.484 0.077 . 1 . . . A 307 ARG CA . 30171 1 816 . 1 1 71 71 ARG CB C 13 30.279 0.106 . 1 . . . A 307 ARG CB . 30171 1 817 . 1 1 71 71 ARG CG C 13 28.896 0.076 . 1 . . . A 307 ARG CG . 30171 1 818 . 1 1 71 71 ARG CD C 13 43.463 0.02 . 1 . . . A 307 ARG CD . 30171 1 819 . 1 1 71 71 ARG N N 15 118.52 0.067 . 1 . . . A 307 ARG N . 30171 1 820 . 1 1 72 72 GLU H H 1 7.434 0.015 . 1 . . . A 308 GLU H . 30171 1 821 . 1 1 72 72 GLU HA H 1 4.033 0.005 . 1 . . . A 308 GLU HA . 30171 1 822 . 1 1 72 72 GLU HB2 H 1 2.168 0.004 . 1 . . . A 308 GLU HB2 . 30171 1 823 . 1 1 72 72 GLU HG2 H 1 2.393 0.006 . 1 . . . A 308 GLU HG2 . 30171 1 824 . 1 1 72 72 GLU CA C 13 58.892 0.047 . 1 . . . A 308 GLU CA . 30171 1 825 . 1 1 72 72 GLU CB C 13 29.381 0.111 . 1 . . . A 308 GLU CB . 30171 1 826 . 1 1 72 72 GLU CG C 13 35.863 0.066 . 1 . . . A 308 GLU CG . 30171 1 827 . 1 1 72 72 GLU N N 15 116.896 0.056 . 1 . . . A 308 GLU N . 30171 1 828 . 1 1 73 73 ILE H H 1 7.731 0.013 . 1 . . . A 309 ILE H . 30171 1 829 . 1 1 73 73 ILE HA H 1 3.691 0.007 . 1 . . . A 309 ILE HA . 30171 1 830 . 1 1 73 73 ILE HB H 1 1.911 0.006 . 1 . . . A 309 ILE HB . 30171 1 831 . 1 1 73 73 ILE HG12 H 1 1.152 0.005 . 2 . . . A 309 ILE HG12 . 30171 1 832 . 1 1 73 73 ILE HG13 H 1 0.828 0.006 . 2 . . . A 309 ILE HG13 . 30171 1 833 . 1 1 73 73 ILE HG21 H 1 0.82 0.015 . 1 . . . A 309 ILE HG21 . 30171 1 834 . 1 1 73 73 ILE HG22 H 1 0.82 0.015 . 1 . . . A 309 ILE HG22 . 30171 1 835 . 1 1 73 73 ILE HG23 H 1 0.82 0.015 . 1 . . . A 309 ILE HG23 . 30171 1 836 . 1 1 73 73 ILE HD11 H 1 0.826 0.008 . 1 . . . A 309 ILE HD11 . 30171 1 837 . 1 1 73 73 ILE HD12 H 1 0.826 0.008 . 1 . . . A 309 ILE HD12 . 30171 1 838 . 1 1 73 73 ILE HD13 H 1 0.826 0.008 . 1 . . . A 309 ILE HD13 . 30171 1 839 . 1 1 73 73 ILE CA C 13 64.873 0.036 . 1 . . . A 309 ILE CA . 30171 1 840 . 1 1 73 73 ILE CB C 13 38.347 0.061 . 1 . . . A 309 ILE CB . 30171 1 841 . 1 1 73 73 ILE CG1 C 13 29.263 0.1 . 1 . . . A 309 ILE CG1 . 30171 1 842 . 1 1 73 73 ILE CG2 C 13 17.751 0.028 . 1 . . . A 309 ILE CG2 . 30171 1 843 . 1 1 73 73 ILE CD1 C 13 13.568 0.033 . 1 . . . A 309 ILE CD1 . 30171 1 844 . 1 1 73 73 ILE N N 15 121.622 0.042 . 1 . . . A 309 ILE N . 30171 1 845 . 1 1 74 74 LEU H H 1 7.336 0.021 . 1 . . . A 310 LEU H . 30171 1 846 . 1 1 74 74 LEU HA H 1 3.64 0.012 . 1 . . . A 310 LEU HA . 30171 1 847 . 1 1 74 74 LEU HB2 H 1 1.555 0.012 . 1 . . . A 310 LEU HB2 . 30171 1 848 . 1 1 74 74 LEU HG H 1 1.547 0.014 . 1 . . . A 310 LEU HG . 30171 1 849 . 1 1 74 74 LEU HD11 H 1 0.568 0.008 . 2 . . . A 310 LEU HD11 . 30171 1 850 . 1 1 74 74 LEU HD12 H 1 0.568 0.008 . 2 . . . A 310 LEU HD12 . 30171 1 851 . 1 1 74 74 LEU HD13 H 1 0.568 0.008 . 2 . . . A 310 LEU HD13 . 30171 1 852 . 1 1 74 74 LEU HD21 H 1 0.156 0.005 . 2 . . . A 310 LEU HD21 . 30171 1 853 . 1 1 74 74 LEU HD22 H 1 0.156 0.005 . 2 . . . A 310 LEU HD22 . 30171 1 854 . 1 1 74 74 LEU HD23 H 1 0.156 0.005 . 2 . . . A 310 LEU HD23 . 30171 1 855 . 1 1 74 74 LEU CA C 13 55.618 0.061 . 1 . . . A 310 LEU CA . 30171 1 856 . 1 1 74 74 LEU CB C 13 41.631 0.034 . 1 . . . A 310 LEU CB . 30171 1 857 . 1 1 74 74 LEU CG C 13 26.291 0.081 . 1 . . . A 310 LEU CG . 30171 1 858 . 1 1 74 74 LEU CD1 C 13 25.755 0.041 . 2 . . . A 310 LEU CD1 . 30171 1 859 . 1 1 74 74 LEU CD2 C 13 22.476 0.013 . 2 . . . A 310 LEU CD2 . 30171 1 860 . 1 1 74 74 LEU N N 15 115.168 0.069 . 1 . . . A 310 LEU N . 30171 1 861 . 1 1 75 75 LYS H H 1 7.286 0.013 . 1 . . . A 311 LYS H . 30171 1 862 . 1 1 75 75 LYS HA H 1 4.172 0.006 . 1 . . . A 311 LYS HA . 30171 1 863 . 1 1 75 75 LYS HB2 H 1 1.696 0.005 . 2 . . . A 311 LYS HB2 . 30171 1 864 . 1 1 75 75 LYS HB3 H 1 1.929 0.003 . 2 . . . A 311 LYS HB3 . 30171 1 865 . 1 1 75 75 LYS HG2 H 1 1.501 0.005 . 1 . . . A 311 LYS HG2 . 30171 1 866 . 1 1 75 75 LYS HD2 H 1 1.664 0.013 . 2 . . . A 311 LYS HD2 . 30171 1 867 . 1 1 75 75 LYS HD3 H 1 1.735 0.001 . 2 . . . A 311 LYS HD3 . 30171 1 868 . 1 1 75 75 LYS HE2 H 1 2.976 0.006 . 1 . . . A 311 LYS HE2 . 30171 1 869 . 1 1 75 75 LYS CA C 13 57.875 0.117 . 1 . . . A 311 LYS CA . 30171 1 870 . 1 1 75 75 LYS CB C 13 33.244 0.1 . 1 . . . A 311 LYS CB . 30171 1 871 . 1 1 75 75 LYS CG C 13 25.165 0.033 . 1 . . . A 311 LYS CG . 30171 1 872 . 1 1 75 75 LYS CD C 13 29.827 0.005 . 1 . . . A 311 LYS CD . 30171 1 873 . 1 1 75 75 LYS CE C 13 41.848 0.002 . 1 . . . A 311 LYS CE . 30171 1 874 . 1 1 75 75 LYS N N 15 118.053 0.058 . 1 . . . A 311 LYS N . 30171 1 875 . 1 1 76 76 GLU H H 1 7.569 0.01 . 1 . . . A 312 GLU H . 30171 1 876 . 1 1 76 76 GLU HA H 1 4.679 0.018 . 1 . . . A 312 GLU HA . 30171 1 877 . 1 1 76 76 GLU HB2 H 1 2.161 0.002 . 2 . . . A 312 GLU HB2 . 30171 1 878 . 1 1 76 76 GLU HB3 H 1 2.087 0.002 . 2 . . . A 312 GLU HB3 . 30171 1 879 . 1 1 76 76 GLU HG2 H 1 2.436 0.004 . 2 . . . A 312 GLU HG2 . 30171 1 880 . 1 1 76 76 GLU HG3 H 1 2.334 0.002 . 2 . . . A 312 GLU HG3 . 30171 1 881 . 1 1 76 76 GLU CA C 13 54.195 0 . 1 . . . A 312 GLU CA . 30171 1 882 . 1 1 76 76 GLU CB C 13 30.35 0.003 . 1 . . . A 312 GLU CB . 30171 1 883 . 1 1 76 76 GLU CG C 13 35.933 0.025 . 1 . . . A 312 GLU CG . 30171 1 884 . 1 1 76 76 GLU N N 15 120.654 0.068 . 1 . . . A 312 GLU N . 30171 1 885 . 1 1 77 77 PRO HA H 1 4.5 0.008 . 1 . . . A 313 PRO HA . 30171 1 886 . 1 1 77 77 PRO HB2 H 1 2.132 0.009 . 2 . . . A 313 PRO HB2 . 30171 1 887 . 1 1 77 77 PRO HB3 H 1 1.733 0.005 . 2 . . . A 313 PRO HB3 . 30171 1 888 . 1 1 77 77 PRO HG2 H 1 1.966 0.007 . 1 . . . A 313 PRO HG2 . 30171 1 889 . 1 1 77 77 PRO HD2 H 1 3.857 0.012 . 2 . . . A 313 PRO HD2 . 30171 1 890 . 1 1 77 77 PRO HD3 H 1 3.72 0.01 . 2 . . . A 313 PRO HD3 . 30171 1 891 . 1 1 77 77 PRO CA C 13 63.009 0.01 . 1 . . . A 313 PRO CA . 30171 1 892 . 1 1 77 77 PRO CB C 13 32.16 0.059 . 1 . . . A 313 PRO CB . 30171 1 893 . 1 1 77 77 PRO CG C 13 27.355 0.014 . 1 . . . A 313 PRO CG . 30171 1 894 . 1 1 77 77 PRO CD C 13 50.636 0.075 . 1 . . . A 313 PRO CD . 30171 1 895 . 1 1 78 78 VAL H H 1 8.042 0.014 . 1 . . . A 314 VAL H . 30171 1 896 . 1 1 78 78 VAL HA H 1 4.001 0.006 . 1 . . . A 314 VAL HA . 30171 1 897 . 1 1 78 78 VAL HB H 1 1.875 0.005 . 1 . . . A 314 VAL HB . 30171 1 898 . 1 1 78 78 VAL HG11 H 1 0.741 0.012 . 2 . . . A 314 VAL HG11 . 30171 1 899 . 1 1 78 78 VAL HG12 H 1 0.741 0.012 . 2 . . . A 314 VAL HG12 . 30171 1 900 . 1 1 78 78 VAL HG13 H 1 0.741 0.012 . 2 . . . A 314 VAL HG13 . 30171 1 901 . 1 1 78 78 VAL HG21 H 1 0.782 0.003 . 2 . . . A 314 VAL HG21 . 30171 1 902 . 1 1 78 78 VAL HG22 H 1 0.782 0.003 . 2 . . . A 314 VAL HG22 . 30171 1 903 . 1 1 78 78 VAL HG23 H 1 0.782 0.003 . 2 . . . A 314 VAL HG23 . 30171 1 904 . 1 1 78 78 VAL CA C 13 62.253 0.038 . 1 . . . A 314 VAL CA . 30171 1 905 . 1 1 78 78 VAL CB C 13 32.832 0.111 . 1 . . . A 314 VAL CB . 30171 1 906 . 1 1 78 78 VAL CG2 C 13 20.853 0.086 . 1 . . . A 314 VAL CG2 . 30171 1 907 . 1 1 78 78 VAL N N 15 119.703 0.058 . 1 . . . A 314 VAL N . 30171 1 908 . 1 1 79 79 HIS H H 1 8.324 0.016 . 1 . . . A 315 HIS H . 30171 1 909 . 1 1 79 79 HIS HA H 1 4.697 0.025 . 1 . . . A 315 HIS HA . 30171 1 910 . 1 1 79 79 HIS HB2 H 1 3.06 0.017 . 2 . . . A 315 HIS HB2 . 30171 1 911 . 1 1 79 79 HIS HB3 H 1 3.117 0.005 . 2 . . . A 315 HIS HB3 . 30171 1 912 . 1 1 79 79 HIS CA C 13 56.013 0.033 . 1 . . . A 315 HIS CA . 30171 1 913 . 1 1 79 79 HIS CB C 13 30.721 0.049 . 1 . . . A 315 HIS CB . 30171 1 914 . 1 1 79 79 HIS N N 15 122.452 0.084 . 1 . . . A 315 HIS N . 30171 1 915 . 1 1 80 80 GLY H H 1 8.245 0.016 . 1 . . . A 316 GLY H . 30171 1 916 . 1 1 80 80 GLY HA2 H 1 3.847 0.011 . 1 . . . A 316 GLY HA2 . 30171 1 917 . 1 1 80 80 GLY CA C 13 45.54 0.06 . 1 . . . A 316 GLY CA . 30171 1 918 . 1 1 80 80 GLY N N 15 109.536 0.037 . 1 . . . A 316 GLY N . 30171 1 919 . 1 1 81 81 VAL H H 1 7.859 0.01 . 1 . . . A 317 VAL H . 30171 1 920 . 1 1 81 81 VAL HA H 1 4.1 0.014 . 1 . . . A 317 VAL HA . 30171 1 921 . 1 1 81 81 VAL HB H 1 1.937 0.009 . 1 . . . A 317 VAL HB . 30171 1 922 . 1 1 81 81 VAL HG11 H 1 0.79 0.014 . 1 . . . A 317 VAL HG11 . 30171 1 923 . 1 1 81 81 VAL HG12 H 1 0.79 0.014 . 1 . . . A 317 VAL HG12 . 30171 1 924 . 1 1 81 81 VAL HG13 H 1 0.79 0.014 . 1 . . . A 317 VAL HG13 . 30171 1 925 . 1 1 81 81 VAL CA C 13 62.203 0.097 . 1 . . . A 317 VAL CA . 30171 1 926 . 1 1 81 81 VAL CB C 13 32.928 0.07 . 1 . . . A 317 VAL CB . 30171 1 927 . 1 1 81 81 VAL CG1 C 13 20.976 0.085 . 1 . . . A 317 VAL CG1 . 30171 1 928 . 1 1 81 81 VAL N N 15 118.806 0.062 . 1 . . . A 317 VAL N . 30171 1 929 . 1 1 82 82 TYR H H 1 8.249 0.014 . 1 . . . A 318 TYR H . 30171 1 930 . 1 1 82 82 TYR HA H 1 4.559 0.011 . 1 . . . A 318 TYR HA . 30171 1 931 . 1 1 82 82 TYR HB2 H 1 2.967 0.007 . 2 . . . A 318 TYR HB2 . 30171 1 932 . 1 1 82 82 TYR HB3 H 1 2.825 0.013 . 2 . . . A 318 TYR HB3 . 30171 1 933 . 1 1 82 82 TYR HD1 H 1 7.016 0.015 . 1 . . . A 318 TYR HD1 . 30171 1 934 . 1 1 82 82 TYR HD2 H 1 7.016 0.015 . 1 . . . A 318 TYR HD2 . 30171 1 935 . 1 1 82 82 TYR HE1 H 1 6.718 0.01 . 1 . . . A 318 TYR HE1 . 30171 1 936 . 1 1 82 82 TYR HE2 H 1 6.718 0.01 . 1 . . . A 318 TYR HE2 . 30171 1 937 . 1 1 82 82 TYR CA C 13 57.823 0.062 . 1 . . . A 318 TYR CA . 30171 1 938 . 1 1 82 82 TYR CB C 13 38.826 0.099 . 1 . . . A 318 TYR CB . 30171 1 939 . 1 1 82 82 TYR N N 15 123.642 0.079 . 1 . . . A 318 TYR N . 30171 1 stop_ save_