data_4572 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4572 _Entry.Title ; Conformational changes in the PBX Homeodomain and C-terminal Extension upon Binding DNA and HOX-derived YPWM Peptides ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2000-01-14 _Entry.Accession_date 2000-01-14 _Entry.Last_release_date 2000-10-23 _Entry.Original_release_date 2000-10-23 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _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.Entry_ID 1 Tara Sprules . . . 4572 2 Nancy Green . . . 4572 3 Mark Featherstone . . . 4572 4 Kalle Gehring . . . 4572 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 4572 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 448 4572 '13C chemical shifts' 244 4572 '15N chemical shifts' 72 4572 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 . . 2000-10-23 2000-01-14 original author . 4572 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4572 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 20393887 _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Conformational changes in the PBX Homeodomain and C-terminal Extension upon Binding DNA and HOX-derived YPWM Peptides ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full Biochemistry _Citation.Journal_volume 39 _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 9943 _Citation.Page_last 9950 _Citation.Year 2000 _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.Entry_ID _Citation_author.Citation_ID 1 Tara Sprules . . . 4572 1 2 Nancy Green . . . 4572 1 3 Mark Featherstone . . . 4572 1 4 Kalle Gehring . . . 4572 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID homeodomain 4572 1 TALE 4572 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_PBX_HD _Assembly.Sf_category assembly _Assembly.Sf_framecode PBX_HD _Assembly.Entry_ID 4572 _Assembly.ID 1 _Assembly.Name 'PBX homeodomain' _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 'all free' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 4572 1 stop_ 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 'PBX HD' 1 $PBX1_HD . . . native . . . . . 4572 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID . PDB 1DU6 . 'A Chain A, Solution Structure Of The Truncated Pbx Homeodomain' . . . . 4572 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'PBX homeodomain' system 4572 1 'PBX HD' abbreviation 4572 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_PBX1_HD _Entity.Sf_category entity _Entity.Sf_framecode PBX1_HD _Entity.Entry_ID 4572 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'PBX1 homeodomain' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GHHHHHHHHHHSSGHIEGRH MNKQATEILNEYFYSHLSNP YPSEEAKEELAKKCGITVSQ VSNWFGNKRIRYKKN ; _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 . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 75 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 8874 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details '21 residue his tag followed by residues 241-294 of murine PBX1' _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-24 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1DU6 . "Solution Structure Of The Truncated Pbx Homeodomain" . . . . . 85.33 64 100.00 100.00 9.63e-39 . . . . 4572 1 2 no GB AAP95000 . "homeobox PBX2 [Macaca fascicularis]" . . . . . 68.00 59 98.04 100.00 1.34e-28 . . . . 4572 1 3 no GB AAP95001 . "homeobox PBX2 [Aotus azarai]" . . . . . 68.00 59 98.04 100.00 1.34e-28 . . . . 4572 1 4 no GB AAP95002 . "homeobox PBX2 [Tarsius syrichta]" . . . . . 68.00 59 98.04 100.00 1.34e-28 . . . . 4572 1 5 no GB AAP95003 . "homeobox PBX2 [Lemur catta]" . . . . . 68.00 59 98.04 100.00 1.34e-28 . . . . 4572 1 6 no GB AAP95004 . "homeobox PBX2, partial [Galeopterus variegatus]" . . . . . 68.00 59 98.04 100.00 1.34e-28 . . . . 4572 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'PBX1 homeodomain' common 4572 1 'PBX1 HD' abbreviation 4572 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 -21 GLY . 4572 1 2 -20 HIS . 4572 1 3 -19 HIS . 4572 1 4 -18 HIS . 4572 1 5 -17 HIS . 4572 1 6 -16 HIS . 4572 1 7 -15 HIS . 4572 1 8 -14 HIS . 4572 1 9 -13 HIS . 4572 1 10 -12 HIS . 4572 1 11 -11 HIS . 4572 1 12 -10 SER . 4572 1 13 -9 SER . 4572 1 14 -8 GLY . 4572 1 15 -7 HIS . 4572 1 16 -6 ILE . 4572 1 17 -5 GLU . 4572 1 18 -4 GLY . 4572 1 19 -3 ARG . 4572 1 20 -2 HIS . 4572 1 21 -1 MET . 4572 1 22 241 ASN . 4572 1 23 242 LYS . 4572 1 24 243 GLN . 4572 1 25 244 ALA . 4572 1 26 245 THR . 4572 1 27 246 GLU . 4572 1 28 247 ILE . 4572 1 29 248 LEU . 4572 1 30 249 ASN . 4572 1 31 250 GLU . 4572 1 32 251 TYR . 4572 1 33 252 PHE . 4572 1 34 253 TYR . 4572 1 35 254 SER . 4572 1 36 255 HIS . 4572 1 37 256 LEU . 4572 1 38 257 SER . 4572 1 39 258 ASN . 4572 1 40 259 PRO . 4572 1 41 260 TYR . 4572 1 42 261 PRO . 4572 1 43 262 SER . 4572 1 44 263 GLU . 4572 1 45 264 GLU . 4572 1 46 265 ALA . 4572 1 47 266 LYS . 4572 1 48 267 GLU . 4572 1 49 268 GLU . 4572 1 50 269 LEU . 4572 1 51 270 ALA . 4572 1 52 271 LYS . 4572 1 53 272 LYS . 4572 1 54 273 CYS . 4572 1 55 274 GLY . 4572 1 56 275 ILE . 4572 1 57 276 THR . 4572 1 58 277 VAL . 4572 1 59 278 SER . 4572 1 60 279 GLN . 4572 1 61 280 VAL . 4572 1 62 281 SER . 4572 1 63 282 ASN . 4572 1 64 283 TRP . 4572 1 65 284 PHE . 4572 1 66 285 GLY . 4572 1 67 286 ASN . 4572 1 68 287 LYS . 4572 1 69 288 ARG . 4572 1 70 289 ILE . 4572 1 71 290 ARG . 4572 1 72 291 TYR . 4572 1 73 292 LYS . 4572 1 74 293 LYS . 4572 1 75 294 ASN . 4572 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 4572 1 . HIS 2 2 4572 1 . HIS 3 3 4572 1 . HIS 4 4 4572 1 . HIS 5 5 4572 1 . HIS 6 6 4572 1 . HIS 7 7 4572 1 . HIS 8 8 4572 1 . HIS 9 9 4572 1 . HIS 10 10 4572 1 . HIS 11 11 4572 1 . SER 12 12 4572 1 . SER 13 13 4572 1 . GLY 14 14 4572 1 . HIS 15 15 4572 1 . ILE 16 16 4572 1 . GLU 17 17 4572 1 . GLY 18 18 4572 1 . ARG 19 19 4572 1 . HIS 20 20 4572 1 . MET 21 21 4572 1 . ASN 22 22 4572 1 . LYS 23 23 4572 1 . GLN 24 24 4572 1 . ALA 25 25 4572 1 . THR 26 26 4572 1 . GLU 27 27 4572 1 . ILE 28 28 4572 1 . LEU 29 29 4572 1 . ASN 30 30 4572 1 . GLU 31 31 4572 1 . TYR 32 32 4572 1 . PHE 33 33 4572 1 . TYR 34 34 4572 1 . SER 35 35 4572 1 . HIS 36 36 4572 1 . LEU 37 37 4572 1 . SER 38 38 4572 1 . ASN 39 39 4572 1 . PRO 40 40 4572 1 . TYR 41 41 4572 1 . PRO 42 42 4572 1 . SER 43 43 4572 1 . GLU 44 44 4572 1 . GLU 45 45 4572 1 . ALA 46 46 4572 1 . LYS 47 47 4572 1 . GLU 48 48 4572 1 . GLU 49 49 4572 1 . LEU 50 50 4572 1 . ALA 51 51 4572 1 . LYS 52 52 4572 1 . LYS 53 53 4572 1 . CYS 54 54 4572 1 . GLY 55 55 4572 1 . ILE 56 56 4572 1 . THR 57 57 4572 1 . VAL 58 58 4572 1 . SER 59 59 4572 1 . GLN 60 60 4572 1 . VAL 61 61 4572 1 . SER 62 62 4572 1 . ASN 63 63 4572 1 . TRP 64 64 4572 1 . PHE 65 65 4572 1 . GLY 66 66 4572 1 . ASN 67 67 4572 1 . LYS 68 68 4572 1 . ARG 69 69 4572 1 . ILE 70 70 4572 1 . ARG 71 71 4572 1 . TYR 72 72 4572 1 . LYS 73 73 4572 1 . LYS 74 74 4572 1 . ASN 75 75 4572 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 4572 _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.Subvariant _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.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $PBX1_HD . 10090 . . 'Mus musculus' mouse . . Eukaryota . Mus musculus . . . . . . . . . . . . . . . . PBX1 . . . . 4572 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 4572 _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_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _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.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $PBX1_HD . 'recombinant technology' 'Escherichia coli' 'E. coli' . . Escherichia coli BL21 . . . . . . . . . . . . plasmid . . pET16b . . . . . . 4572 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 4572 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 'PBX1 homeodomain' '[U-13C; U-15N]' . . 1 $PBX1_HD . . 1.0 . . mM . . . . 4572 1 2 'sodium phosphate' . . . . . . . 20 . . mM . . . . 4572 1 stop_ save_ ####################### # Sample conditions # ####################### save_condition_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode condition_1 _Sample_condition_list.Entry_ID 4572 _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 pH 4.8 0.05 n/a 4572 1 temperature 303 0.1 K 4572 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer _NMR_spectrometer.Entry_ID 4572 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 4572 _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 Bruker DRX . 500 . . . 4572 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 4572 _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 '15N HMQC NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4572 1 2 HNHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4572 1 3 '1H-1H TOCSY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4572 1 4 '1H-1H NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4572 1 5 '1H-1H COSY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4572 1 6 '13C HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4572 1 7 HNCACB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4572 1 8 CBCA(CO)NH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4572 1 9 HNCO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4572 1 10 TOCSY(CO)NH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4572 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 4572 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '15N HMQC NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 4572 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name HNHA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 4572 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name '1H-1H TOCSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 4572 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name '1H-1H NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 4572 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name '1H-1H COSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6 _NMR_spec_expt.Entry_ID 4572 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name '13C HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_7 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_7 _NMR_spec_expt.Entry_ID 4572 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name HNCACB _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_8 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_8 _NMR_spec_expt.Entry_ID 4572 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name CBCA(CO)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_9 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_9 _NMR_spec_expt.Entry_ID 4572 _NMR_spec_expt.ID 9 _NMR_spec_expt.Name HNCO _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_10 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_10 _NMR_spec_expt.Entry_ID 4572 _NMR_spec_expt.ID 10 _NMR_spec_expt.Name TOCSY(CO)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 4572 _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.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . . . . . 4572 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 4572 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 4572 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_cs1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode cs1 _Assigned_chem_shift_list.Entry_ID 4572 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $condition_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _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 $sample_1 . 4572 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 12 12 SER H H 1 8.49 0.01 . 1 . . . . . . . . 4572 1 2 . 1 1 12 12 SER CA C 13 56.5 0.20 . 1 . . . . . . . . 4572 1 3 . 1 1 12 12 SER HA H 1 4.54 0.01 . 1 . . . . . . . . 4572 1 4 . 1 1 12 12 SER HB2 H 1 3.88 0.01 . 1 . . . . . . . . 4572 1 5 . 1 1 12 12 SER HB3 H 1 3.88 0.01 . 1 . . . . . . . . 4572 1 6 . 1 1 12 12 SER C C 13 174.4 0.20 . 1 . . . . . . . . 4572 1 7 . 1 1 13 13 SER N N 15 118.4 0.25 . 1 . . . . . . . . 4572 1 8 . 1 1 13 13 SER H H 1 8.60 0.01 . 1 . . . . . . . . 4572 1 9 . 1 1 13 13 SER CA C 13 56.8 0.20 . 1 . . . . . . . . 4572 1 10 . 1 1 13 13 SER HA H 1 4.50 0.01 . 1 . . . . . . . . 4572 1 11 . 1 1 13 13 SER CB C 13 62.1 0.20 . 1 . . . . . . . . 4572 1 12 . 1 1 13 13 SER HB2 H 1 3.92 0.01 . 1 . . . . . . . . 4572 1 13 . 1 1 13 13 SER HB3 H 1 3.92 0.01 . 1 . . . . . . . . 4572 1 14 . 1 1 13 13 SER C C 13 175.0 0.20 . 1 . . . . . . . . 4572 1 15 . 1 1 14 14 GLY N N 15 110.4 0.25 . 1 . . . . . . . . 4572 1 16 . 1 1 14 14 GLY H H 1 8.45 0.01 . 1 . . . . . . . . 4572 1 17 . 1 1 14 14 GLY CA C 13 43.5 0.20 . 1 . . . . . . . . 4572 1 18 . 1 1 14 14 GLY HA2 H 1 3.97 0.01 . 1 . . . . . . . . 4572 1 19 . 1 1 14 14 GLY HA3 H 1 3.97 0.01 . 1 . . . . . . . . 4572 1 20 . 1 1 14 14 GLY C C 13 173.8 0.20 . 1 . . . . . . . . 4572 1 21 . 1 1 15 15 HIS HA H 1 4.74 0.01 . 1 . . . . . . . . 4572 1 22 . 1 1 15 15 HIS HB2 H 1 3.20 0.01 . 1 . . . . . . . . 4572 1 23 . 1 1 15 15 HIS HB3 H 1 3.20 0.01 . 1 . . . . . . . . 4572 1 24 . 1 1 15 15 HIS C C 13 174.4 0.20 . 1 . . . . . . . . 4572 1 25 . 1 1 16 16 ILE N N 15 123.6 0.25 . 1 . . . . . . . . 4572 1 26 . 1 1 16 16 ILE H H 1 8.33 0.01 . 1 . . . . . . . . 4572 1 27 . 1 1 16 16 ILE CA C 13 59.3 0.20 . 1 . . . . . . . . 4572 1 28 . 1 1 16 16 ILE HA H 1 4.18 0.01 . 1 . . . . . . . . 4572 1 29 . 1 1 16 16 ILE CB C 13 36.9 0.20 . 1 . . . . . . . . 4572 1 30 . 1 1 16 16 ILE HB H 1 1.84 0.01 . 1 . . . . . . . . 4572 1 31 . 1 1 16 16 ILE HG21 H 1 0.93 0.01 . 1 . . . . . . . . 4572 1 32 . 1 1 16 16 ILE HG22 H 1 0.93 0.01 . 1 . . . . . . . . 4572 1 33 . 1 1 16 16 ILE HG23 H 1 0.93 0.01 . 1 . . . . . . . . 4572 1 34 . 1 1 16 16 ILE CG2 C 13 15.7 0.20 . 1 . . . . . . . . 4572 1 35 . 1 1 16 16 ILE CG1 C 13 25.5 0.20 . 1 . . . . . . . . 4572 1 36 . 1 1 16 16 ILE HG12 H 1 1.46 0.01 . 2 . . . . . . . . 4572 1 37 . 1 1 16 16 ILE HG13 H 1 1.19 0.01 . 2 . . . . . . . . 4572 1 38 . 1 1 16 16 ILE HD11 H 1 0.93 0.01 . 1 . . . . . . . . 4572 1 39 . 1 1 16 16 ILE HD12 H 1 0.93 0.01 . 1 . . . . . . . . 4572 1 40 . 1 1 16 16 ILE HD13 H 1 0.93 0.01 . 1 . . . . . . . . 4572 1 41 . 1 1 16 16 ILE CD1 C 13 11.4 0.20 . 1 . . . . . . . . 4572 1 42 . 1 1 16 16 ILE C C 13 176.1 0.20 . 1 . . . . . . . . 4572 1 43 . 1 1 17 17 GLU N N 15 126.1 0.25 . 1 . . . . . . . . 4572 1 44 . 1 1 17 17 GLU H H 1 8.64 0.01 . 1 . . . . . . . . 4572 1 45 . 1 1 17 17 GLU CA C 13 54.7 0.20 . 1 . . . . . . . . 4572 1 46 . 1 1 17 17 GLU HA H 1 4.32 0.01 . 1 . . . . . . . . 4572 1 47 . 1 1 17 17 GLU CB C 13 28.3 0.20 . 1 . . . . . . . . 4572 1 48 . 1 1 17 17 GLU HB2 H 1 2.10 0.01 . 2 . . . . . . . . 4572 1 49 . 1 1 17 17 GLU HB3 H 1 2.01 0.01 . 2 . . . . . . . . 4572 1 50 . 1 1 17 17 GLU CG C 13 33.6 0.20 . 1 . . . . . . . . 4572 1 51 . 1 1 17 17 GLU HG2 H 1 2.39 0.01 . 1 . . . . . . . . 4572 1 52 . 1 1 17 17 GLU HG3 H 1 2.39 0.01 . 1 . . . . . . . . 4572 1 53 . 1 1 17 17 GLU C C 13 176.7 0.20 . 1 . . . . . . . . 4572 1 54 . 1 1 18 18 GLY N N 15 110.4 0.25 . 1 . . . . . . . . 4572 1 55 . 1 1 18 18 GLY H H 1 8.48 0.01 . 1 . . . . . . . . 4572 1 56 . 1 1 18 18 GLY CA C 13 43.5 0.20 . 1 . . . . . . . . 4572 1 57 . 1 1 18 18 GLY HA2 H 1 4.02 0.01 . 2 . . . . . . . . 4572 1 58 . 1 1 18 18 GLY HA3 H 1 3.90 0.01 . 2 . . . . . . . . 4572 1 59 . 1 1 18 18 GLY C C 13 174.0 0.20 . 1 . . . . . . . . 4572 1 60 . 1 1 19 19 ARG N N 15 120.3 0.25 . 1 . . . . . . . . 4572 1 61 . 1 1 19 19 ARG H H 1 8.28 0.01 . 1 . . . . . . . . 4572 1 62 . 1 1 19 19 ARG CA C 13 54.3 0.20 . 1 . . . . . . . . 4572 1 63 . 1 1 19 19 ARG HA H 1 4.35 0.01 . 1 . . . . . . . . 4572 1 64 . 1 1 19 19 ARG CB C 13 29.1 0.20 . 1 . . . . . . . . 4572 1 65 . 1 1 19 19 ARG HB2 H 1 1.82 0.01 . 2 . . . . . . . . 4572 1 66 . 1 1 19 19 ARG HB3 H 1 1.77 0.01 . 2 . . . . . . . . 4572 1 67 . 1 1 19 19 ARG CG C 13 25.3 0.20 . 1 . . . . . . . . 4572 1 68 . 1 1 19 19 ARG HG2 H 1 1.62 0.01 . 1 . . . . . . . . 4572 1 69 . 1 1 19 19 ARG HG3 H 1 1.62 0.01 . 1 . . . . . . . . 4572 1 70 . 1 1 19 19 ARG CD C 13 41.6 0.20 . 1 . . . . . . . . 4572 1 71 . 1 1 19 19 ARG HD2 H 1 3.20 0.01 . 1 . . . . . . . . 4572 1 72 . 1 1 19 19 ARG HD3 H 1 3.20 0.01 . 1 . . . . . . . . 4572 1 73 . 1 1 19 19 ARG NE N 15 117.3 0.25 . 1 . . . . . . . . 4572 1 74 . 1 1 19 19 ARG HE H 1 7.23 0.01 . 1 . . . . . . . . 4572 1 75 . 1 1 19 19 ARG C C 13 176.3 0.20 . 1 . . . . . . . . 4572 1 76 . 1 1 20 20 HIS N N 15 120.0 0.25 . 1 . . . . . . . . 4572 1 77 . 1 1 20 20 HIS H H 1 8.61 0.01 . 1 . . . . . . . . 4572 1 78 . 1 1 20 20 HIS HB2 H 1 3.22 0.01 . 1 . . . . . . . . 4572 1 79 . 1 1 20 20 HIS HB3 H 1 3.22 0.01 . 1 . . . . . . . . 4572 1 80 . 1 1 20 20 HIS C C 13 174.2 0.20 . 1 . . . . . . . . 4572 1 81 . 1 1 21 21 MET N N 15 122.5 0.25 . 1 . . . . . . . . 4572 1 82 . 1 1 21 21 MET H H 1 8.55 0.01 . 1 . . . . . . . . 4572 1 83 . 1 1 21 21 MET CA C 13 53.4 0.20 . 1 . . . . . . . . 4572 1 84 . 1 1 21 21 MET HA H 1 4.53 0.01 . 1 . . . . . . . . 4572 1 85 . 1 1 21 21 MET CB C 13 31.9 0.20 . 1 . . . . . . . . 4572 1 86 . 1 1 21 21 MET HB2 H 1 2.03 0.01 . 1 . . . . . . . . 4572 1 87 . 1 1 21 21 MET HB3 H 1 2.03 0.01 . 1 . . . . . . . . 4572 1 88 . 1 1 21 21 MET CG C 13 30.2 0.20 . 1 . . . . . . . . 4572 1 89 . 1 1 21 21 MET HG2 H 1 2.55 0.01 . 1 . . . . . . . . 4572 1 90 . 1 1 21 21 MET HG3 H 1 2.55 0.01 . 1 . . . . . . . . 4572 1 91 . 1 1 21 21 MET HE1 H 1 1.94 0.01 . 1 . . . . . . . . 4572 1 92 . 1 1 21 21 MET HE2 H 1 1.94 0.01 . 1 . . . . . . . . 4572 1 93 . 1 1 21 21 MET HE3 H 1 1.94 0.01 . 1 . . . . . . . . 4572 1 94 . 1 1 21 21 MET CE C 13 15.5 0.20 . 1 . . . . . . . . 4572 1 95 . 1 1 21 21 MET C C 13 175.5 0.20 . 1 . . . . . . . . 4572 1 96 . 1 1 22 22 ASN N N 15 122.0 0.25 . 1 . . . . . . . . 4572 1 97 . 1 1 22 22 ASN H H 1 8.46 0.01 . 1 . . . . . . . . 4572 1 98 . 1 1 22 22 ASN CA C 13 50.9 0.20 . 1 . . . . . . . . 4572 1 99 . 1 1 22 22 ASN HA H 1 4.75 0.01 . 1 . . . . . . . . 4572 1 100 . 1 1 22 22 ASN CB C 13 37.3 0.20 . 1 . . . . . . . . 4572 1 101 . 1 1 22 22 ASN HB2 H 1 3.13 0.01 . 2 . . . . . . . . 4572 1 102 . 1 1 22 22 ASN HB3 H 1 3.04 0.01 . 2 . . . . . . . . 4572 1 103 . 1 1 22 22 ASN ND2 N 15 112.6 0.25 . 1 . . . . . . . . 4572 1 104 . 1 1 22 22 ASN HD21 H 1 7.65 0.01 . 2 . . . . . . . . 4572 1 105 . 1 1 22 22 ASN HD22 H 1 7.04 0.01 . 2 . . . . . . . . 4572 1 106 . 1 1 22 22 ASN C C 13 175.8 0.20 . 1 . . . . . . . . 4572 1 107 . 1 1 23 23 LYS N N 15 122.0 0.25 . 1 . . . . . . . . 4572 1 108 . 1 1 23 23 LYS H H 1 8.64 0.01 . 1 . . . . . . . . 4572 1 109 . 1 1 23 23 LYS CA C 13 57.7 0.20 . 1 . . . . . . . . 4572 1 110 . 1 1 23 23 LYS HA H 1 4.18 0.01 . 1 . . . . . . . . 4572 1 111 . 1 1 23 23 LYS CB C 13 30.8 0.20 . 1 . . . . . . . . 4572 1 112 . 1 1 23 23 LYS HB2 H 1 1.94 0.01 . 2 . . . . . . . . 4572 1 113 . 1 1 23 23 LYS HB3 H 1 1.88 0.01 . 2 . . . . . . . . 4572 1 114 . 1 1 23 23 LYS HG2 H 1 1.49 0.01 . 1 . . . . . . . . 4572 1 115 . 1 1 23 23 LYS HG3 H 1 1.49 0.01 . 1 . . . . . . . . 4572 1 116 . 1 1 23 23 LYS CE C 13 40.2 0.20 . 1 . . . . . . . . 4572 1 117 . 1 1 23 23 LYS HE2 H 1 3.01 0.01 . 1 . . . . . . . . 4572 1 118 . 1 1 23 23 LYS HE3 H 1 3.01 0.01 . 1 . . . . . . . . 4572 1 119 . 1 1 23 23 LYS C C 13 178.4 0.20 . 1 . . . . . . . . 4572 1 120 . 1 1 24 24 GLN N N 15 119.5 0.25 . 1 . . . . . . . . 4572 1 121 . 1 1 24 24 GLN H H 1 8.52 0.01 . 1 . . . . . . . . 4572 1 122 . 1 1 24 24 GLN CA C 13 57.1 0.20 . 1 . . . . . . . . 4572 1 123 . 1 1 24 24 GLN HA H 1 4.18 0.01 . 1 . . . . . . . . 4572 1 124 . 1 1 24 24 GLN CB C 13 26.4 0.20 . 1 . . . . . . . . 4572 1 125 . 1 1 24 24 GLN HB2 H 1 2.17 0.01 . 1 . . . . . . . . 4572 1 126 . 1 1 24 24 GLN HB3 H 1 2.17 0.01 . 1 . . . . . . . . 4572 1 127 . 1 1 24 24 GLN CG C 13 32.6 0.20 . 1 . . . . . . . . 4572 1 128 . 1 1 24 24 GLN HG2 H 1 2.48 0.01 . 1 . . . . . . . . 4572 1 129 . 1 1 24 24 GLN HG3 H 1 2.48 0.01 . 1 . . . . . . . . 4572 1 130 . 1 1 24 24 GLN NE2 N 15 112.1 0.25 . 1 . . . . . . . . 4572 1 131 . 1 1 24 24 GLN HE21 H 1 7.56 0.01 . 1 . . . . . . . . 4572 1 132 . 1 1 24 24 GLN HE22 H 1 6.92 0.01 . 1 . . . . . . . . 4572 1 133 . 1 1 24 24 GLN C C 13 178.0 0.20 . 1 . . . . . . . . 4572 1 134 . 1 1 25 25 ALA N N 15 122.0 0.25 . 1 . . . . . . . . 4572 1 135 . 1 1 25 25 ALA H H 1 8.20 0.01 . 1 . . . . . . . . 4572 1 136 . 1 1 25 25 ALA CA C 13 53.3 0.20 . 1 . . . . . . . . 4572 1 137 . 1 1 25 25 ALA HA H 1 4.18 0.01 . 1 . . . . . . . . 4572 1 138 . 1 1 25 25 ALA HB1 H 1 1.51 0.01 . 1 . . . . . . . . 4572 1 139 . 1 1 25 25 ALA HB2 H 1 1.51 0.01 . 1 . . . . . . . . 4572 1 140 . 1 1 25 25 ALA HB3 H 1 1.51 0.01 . 1 . . . . . . . . 4572 1 141 . 1 1 25 25 ALA CB C 13 16.8 0.20 . 1 . . . . . . . . 4572 1 142 . 1 1 25 25 ALA C C 13 178.7 0.20 . 1 . . . . . . . . 4572 1 143 . 1 1 26 26 THR N N 15 111.2 0.25 . 1 . . . . . . . . 4572 1 144 . 1 1 26 26 THR H H 1 8.00 0.01 . 1 . . . . . . . . 4572 1 145 . 1 1 26 26 THR CA C 13 65.2 0.20 . 1 . . . . . . . . 4572 1 146 . 1 1 26 26 THR HA H 1 3.47 0.01 . 1 . . . . . . . . 4572 1 147 . 1 1 26 26 THR CB C 13 66.8 0.20 . 1 . . . . . . . . 4572 1 148 . 1 1 26 26 THR HB H 1 4.32 0.01 . 1 . . . . . . . . 4572 1 149 . 1 1 26 26 THR HG21 H 1 1.36 0.01 . 1 . . . . . . . . 4572 1 150 . 1 1 26 26 THR HG22 H 1 1.36 0.01 . 1 . . . . . . . . 4572 1 151 . 1 1 26 26 THR HG23 H 1 1.36 0.01 . 1 . . . . . . . . 4572 1 152 . 1 1 26 26 THR CG2 C 13 20.7 0.20 . 1 . . . . . . . . 4572 1 153 . 1 1 26 26 THR C C 13 175.9 0.20 . 1 . . . . . . . . 4572 1 154 . 1 1 27 27 GLU N N 15 120.9 0.25 . 1 . . . . . . . . 4572 1 155 . 1 1 27 27 GLU H H 1 7.86 0.01 . 1 . . . . . . . . 4572 1 156 . 1 1 27 27 GLU CA C 13 57.7 0.20 . 1 . . . . . . . . 4572 1 157 . 1 1 27 27 GLU HA H 1 4.23 0.01 . 1 . . . . . . . . 4572 1 158 . 1 1 27 27 GLU CB C 13 26.8 0.20 . 1 . . . . . . . . 4572 1 159 . 1 1 27 27 GLU HB2 H 1 2.29 0.01 . 2 . . . . . . . . 4572 1 160 . 1 1 27 27 GLU HB3 H 1 2.19 0.01 . 2 . . . . . . . . 4572 1 161 . 1 1 27 27 GLU CG C 13 33.1 0.20 . 1 . . . . . . . . 4572 1 162 . 1 1 27 27 GLU HG2 H 1 2.48 0.01 . 1 . . . . . . . . 4572 1 163 . 1 1 27 27 GLU HG3 H 1 2.48 0.01 . 1 . . . . . . . . 4572 1 164 . 1 1 27 27 GLU C C 13 178.9 0.20 . 1 . . . . . . . . 4572 1 165 . 1 1 28 28 ILE N N 15 121.7 0.25 . 1 . . . . . . . . 4572 1 166 . 1 1 28 28 ILE H H 1 7.79 0.01 . 1 . . . . . . . . 4572 1 167 . 1 1 28 28 ILE CA C 13 63.3 0.20 . 1 . . . . . . . . 4572 1 168 . 1 1 28 28 ILE HA H 1 3.70 0.01 . 1 . . . . . . . . 4572 1 169 . 1 1 28 28 ILE CB C 13 36.1 0.20 . 1 . . . . . . . . 4572 1 170 . 1 1 28 28 ILE HB H 1 2.01 0.01 . 1 . . . . . . . . 4572 1 171 . 1 1 28 28 ILE HG21 H 1 0.78 0.01 . 1 . . . . . . . . 4572 1 172 . 1 1 28 28 ILE HG22 H 1 0.78 0.01 . 1 . . . . . . . . 4572 1 173 . 1 1 28 28 ILE HG23 H 1 0.78 0.01 . 1 . . . . . . . . 4572 1 174 . 1 1 28 28 ILE CG2 C 13 16.0 0.20 . 1 . . . . . . . . 4572 1 175 . 1 1 28 28 ILE CG1 C 13 27.7 0.20 . 1 . . . . . . . . 4572 1 176 . 1 1 28 28 ILE HG12 H 1 1.84 0.01 . 2 . . . . . . . . 4572 1 177 . 1 1 28 28 ILE HG13 H 1 1.14 0.01 . 2 . . . . . . . . 4572 1 178 . 1 1 28 28 ILE HD11 H 1 0.84 0.01 . 1 . . . . . . . . 4572 1 179 . 1 1 28 28 ILE HD12 H 1 0.84 0.01 . 1 . . . . . . . . 4572 1 180 . 1 1 28 28 ILE HD13 H 1 0.84 0.01 . 1 . . . . . . . . 4572 1 181 . 1 1 28 28 ILE CD1 C 13 12.0 0.20 . 1 . . . . . . . . 4572 1 182 . 1 1 28 28 ILE C C 13 179.3 0.20 . 1 . . . . . . . . 4572 1 183 . 1 1 29 29 LEU N N 15 121.7 0.25 . 1 . . . . . . . . 4572 1 184 . 1 1 29 29 LEU H H 1 8.03 0.01 . 1 . . . . . . . . 4572 1 185 . 1 1 29 29 LEU CA C 13 56.6 0.20 . 1 . . . . . . . . 4572 1 186 . 1 1 29 29 LEU HA H 1 3.61 0.01 . 1 . . . . . . . . 4572 1 187 . 1 1 29 29 LEU CB C 13 35.6 0.20 . 1 . . . . . . . . 4572 1 188 . 1 1 29 29 LEU HB2 H 1 0.43 0.01 . 2 . . . . . . . . 4572 1 189 . 1 1 29 29 LEU HB3 H 1 -0.86 0.01 . 2 . . . . . . . . 4572 1 190 . 1 1 29 29 LEU CG C 13 23.9 0.20 . 1 . . . . . . . . 4572 1 191 . 1 1 29 29 LEU HG H 1 1.45 0.01 . 1 . . . . . . . . 4572 1 192 . 1 1 29 29 LEU HD11 H 1 -0.25 0.01 . 1 . . . . . . . . 4572 1 193 . 1 1 29 29 LEU HD12 H 1 -0.25 0.01 . 1 . . . . . . . . 4572 1 194 . 1 1 29 29 LEU HD13 H 1 -0.25 0.01 . 1 . . . . . . . . 4572 1 195 . 1 1 29 29 LEU HD21 H 1 0.48 0.01 . 1 . . . . . . . . 4572 1 196 . 1 1 29 29 LEU HD22 H 1 0.48 0.01 . 1 . . . . . . . . 4572 1 197 . 1 1 29 29 LEU HD23 H 1 0.48 0.01 . 1 . . . . . . . . 4572 1 198 . 1 1 29 29 LEU CD1 C 13 22.4 0.20 . 2 . . . . . . . . 4572 1 199 . 1 1 29 29 LEU CD2 C 13 22.0 0.20 . 2 . . . . . . . . 4572 1 200 . 1 1 29 29 LEU C C 13 178.5 0.20 . 1 . . . . . . . . 4572 1 201 . 1 1 30 30 ASN N N 15 118.1 0.25 . 1 . . . . . . . . 4572 1 202 . 1 1 30 30 ASN H H 1 8.39 0.01 . 1 . . . . . . . . 4572 1 203 . 1 1 30 30 ASN CA C 13 55.1 0.20 . 1 . . . . . . . . 4572 1 204 . 1 1 30 30 ASN HA H 1 4.76 0.01 . 1 . . . . . . . . 4572 1 205 . 1 1 30 30 ASN CB C 13 36.8 0.20 . 1 . . . . . . . . 4572 1 206 . 1 1 30 30 ASN HB2 H 1 2.98 0.01 . 2 . . . . . . . . 4572 1 207 . 1 1 30 30 ASN HB3 H 1 2.89 0.01 . 2 . . . . . . . . 4572 1 208 . 1 1 30 30 ASN ND2 N 15 111.8 0.25 . 1 . . . . . . . . 4572 1 209 . 1 1 30 30 ASN HD21 H 1 7.53 0.01 . 2 . . . . . . . . 4572 1 210 . 1 1 30 30 ASN HD22 H 1 7.17 0.01 . 2 . . . . . . . . 4572 1 211 . 1 1 30 30 ASN C C 13 177.7 0.20 . 1 . . . . . . . . 4572 1 212 . 1 1 31 31 GLU N N 15 119.2 0.25 . 1 . . . . . . . . 4572 1 213 . 1 1 31 31 GLU H H 1 8.39 0.01 . 1 . . . . . . . . 4572 1 214 . 1 1 31 31 GLU CA C 13 57.8 0.20 . 1 . . . . . . . . 4572 1 215 . 1 1 31 31 GLU HA H 1 4.21 0.01 . 1 . . . . . . . . 4572 1 216 . 1 1 31 31 GLU CB C 13 26.5 0.20 . 1 . . . . . . . . 4572 1 217 . 1 1 31 31 GLU HB2 H 1 2.29 0.01 . 1 . . . . . . . . 4572 1 218 . 1 1 31 31 GLU HB3 H 1 2.29 0.01 . 1 . . . . . . . . 4572 1 219 . 1 1 31 31 GLU CG C 13 33.5 0.20 . 1 . . . . . . . . 4572 1 220 . 1 1 31 31 GLU HG2 H 1 2.68 0.01 . 2 . . . . . . . . 4572 1 221 . 1 1 31 31 GLU HG3 H 1 2.49 0.01 . 2 . . . . . . . . 4572 1 222 . 1 1 31 31 GLU C C 13 180.2 0.20 . 1 . . . . . . . . 4572 1 223 . 1 1 32 32 TYR N N 15 120.9 0.25 . 1 . . . . . . . . 4572 1 224 . 1 1 32 32 TYR H H 1 8.18 0.01 . 1 . . . . . . . . 4572 1 225 . 1 1 32 32 TYR CA C 13 60.8 0.20 . 1 . . . . . . . . 4572 1 226 . 1 1 32 32 TYR HA H 1 4.17 0.01 . 1 . . . . . . . . 4572 1 227 . 1 1 32 32 TYR CB C 13 36.4 0.20 . 1 . . . . . . . . 4572 1 228 . 1 1 32 32 TYR HB2 H 1 3.42 0.01 . 2 . . . . . . . . 4572 1 229 . 1 1 32 32 TYR HB3 H 1 3.20 0.01 . 2 . . . . . . . . 4572 1 230 . 1 1 32 32 TYR HE1 H 1 6.43 0.01 . 1 . . . . . . . . 4572 1 231 . 1 1 32 32 TYR HE2 H 1 6.43 0.01 . 1 . . . . . . . . 4572 1 232 . 1 1 32 32 TYR HD1 H 1 7.07 0.01 . 1 . . . . . . . . 4572 1 233 . 1 1 32 32 TYR HD2 H 1 7.07 0.01 . 1 . . . . . . . . 4572 1 234 . 1 1 32 32 TYR C C 13 179.1 0.20 . 1 . . . . . . . . 4572 1 235 . 1 1 33 33 PHE N N 15 123.1 0.25 . 1 . . . . . . . . 4572 1 236 . 1 1 33 33 PHE H H 1 9.45 0.01 . 1 . . . . . . . . 4572 1 237 . 1 1 33 33 PHE CA C 13 61.5 0.20 . 1 . . . . . . . . 4572 1 238 . 1 1 33 33 PHE HA H 1 4.20 0.01 . 1 . . . . . . . . 4572 1 239 . 1 1 33 33 PHE CB C 13 37.9 0.20 . 1 . . . . . . . . 4572 1 240 . 1 1 33 33 PHE HB2 H 1 3.40 0.01 . 2 . . . . . . . . 4572 1 241 . 1 1 33 33 PHE HB3 H 1 3.35 0.01 . 2 . . . . . . . . 4572 1 242 . 1 1 33 33 PHE HD1 H 1 6.58 0.01 . 1 . . . . . . . . 4572 1 243 . 1 1 33 33 PHE HD2 H 1 6.58 0.01 . 1 . . . . . . . . 4572 1 244 . 1 1 33 33 PHE HE1 H 1 6.87 0.01 . 1 . . . . . . . . 4572 1 245 . 1 1 33 33 PHE HE2 H 1 6.87 0.01 . 1 . . . . . . . . 4572 1 246 . 1 1 33 33 PHE C C 13 177.4 0.20 . 1 . . . . . . . . 4572 1 247 . 1 1 34 34 TYR N N 15 113.2 0.25 . 1 . . . . . . . . 4572 1 248 . 1 1 34 34 TYR H H 1 8.85 0.01 . 1 . . . . . . . . 4572 1 249 . 1 1 34 34 TYR CA C 13 60.2 0.20 . 1 . . . . . . . . 4572 1 250 . 1 1 34 34 TYR HA H 1 4.20 0.01 . 1 . . . . . . . . 4572 1 251 . 1 1 34 34 TYR CB C 13 35.5 0.20 . 1 . . . . . . . . 4572 1 252 . 1 1 34 34 TYR HB2 H 1 3.34 0.01 . 2 . . . . . . . . 4572 1 253 . 1 1 34 34 TYR HB3 H 1 3.04 0.01 . 2 . . . . . . . . 4572 1 254 . 1 1 34 34 TYR HE1 H 1 7.05 0.01 . 1 . . . . . . . . 4572 1 255 . 1 1 34 34 TYR HE2 H 1 7.05 0.01 . 1 . . . . . . . . 4572 1 256 . 1 1 34 34 TYR HD1 H 1 7.50 0.01 . 1 . . . . . . . . 4572 1 257 . 1 1 34 34 TYR HD2 H 1 7.50 0.01 . 1 . . . . . . . . 4572 1 258 . 1 1 34 34 TYR C C 13 177.4 0.20 . 1 . . . . . . . . 4572 1 259 . 1 1 35 35 SER N N 15 112.6 0.25 . 1 . . . . . . . . 4572 1 260 . 1 1 35 35 SER H H 1 7.78 0.01 . 1 . . . . . . . . 4572 1 261 . 1 1 35 35 SER CA C 13 57.1 0.20 . 1 . . . . . . . . 4572 1 262 . 1 1 35 35 SER HA H 1 4.59 0.01 . 1 . . . . . . . . 4572 1 263 . 1 1 35 35 SER CB C 13 62.3 0.20 . 1 . . . . . . . . 4572 1 264 . 1 1 35 35 SER HB2 H 1 3.98 0.01 . 2 . . . . . . . . 4572 1 265 . 1 1 35 35 SER HB3 H 1 3.89 0.01 . 2 . . . . . . . . 4572 1 266 . 1 1 35 35 SER C C 13 174.3 0.20 . 1 . . . . . . . . 4572 1 267 . 1 1 36 36 HIS N N 15 121.1 0.25 . 1 . . . . . . . . 4572 1 268 . 1 1 36 36 HIS H H 1 7.57 0.01 . 1 . . . . . . . . 4572 1 269 . 1 1 36 36 HIS CA C 13 53.9 0.20 . 1 . . . . . . . . 4572 1 270 . 1 1 36 36 HIS HA H 1 4.78 0.01 . 1 . . . . . . . . 4572 1 271 . 1 1 36 36 HIS CB C 13 25.5 0.20 . 1 . . . . . . . . 4572 1 272 . 1 1 36 36 HIS HB2 H 1 3.51 0.01 . 2 . . . . . . . . 4572 1 273 . 1 1 36 36 HIS HB3 H 1 2.39 0.01 . 2 . . . . . . . . 4572 1 274 . 1 1 36 36 HIS HD2 H 1 8.07 0.01 . 1 . . . . . . . . 4572 1 275 . 1 1 36 36 HIS HE1 H 1 7.12 0.01 . 1 . . . . . . . . 4572 1 276 . 1 1 36 36 HIS C C 13 175.1 0.20 . 1 . . . . . . . . 4572 1 277 . 1 1 37 37 LEU N N 15 120.3 0.25 . 1 . . . . . . . . 4572 1 278 . 1 1 37 37 LEU H H 1 7.64 0.01 . 1 . . . . . . . . 4572 1 279 . 1 1 37 37 LEU CA C 13 55.9 0.20 . 1 . . . . . . . . 4572 1 280 . 1 1 37 37 LEU HA H 1 3.59 0.01 . 1 . . . . . . . . 4572 1 281 . 1 1 37 37 LEU CB C 13 40.1 0.20 . 1 . . . . . . . . 4572 1 282 . 1 1 37 37 LEU HB2 H 1 1.69 0.01 . 2 . . . . . . . . 4572 1 283 . 1 1 37 37 LEU HB3 H 1 1.46 0.01 . 2 . . . . . . . . 4572 1 284 . 1 1 37 37 LEU CG C 13 24.8 0.20 . 1 . . . . . . . . 4572 1 285 . 1 1 37 37 LEU HG H 1 1.63 0.01 . 1 . . . . . . . . 4572 1 286 . 1 1 37 37 LEU HD11 H 1 0.55 0.01 . 1 . . . . . . . . 4572 1 287 . 1 1 37 37 LEU HD12 H 1 0.55 0.01 . 1 . . . . . . . . 4572 1 288 . 1 1 37 37 LEU HD13 H 1 0.55 0.01 . 1 . . . . . . . . 4572 1 289 . 1 1 37 37 LEU HD21 H 1 0.91 0.01 . 1 . . . . . . . . 4572 1 290 . 1 1 37 37 LEU HD22 H 1 0.91 0.01 . 1 . . . . . . . . 4572 1 291 . 1 1 37 37 LEU HD23 H 1 0.91 0.01 . 1 . . . . . . . . 4572 1 292 . 1 1 37 37 LEU CD1 C 13 22.4 0.20 . 2 . . . . . . . . 4572 1 293 . 1 1 37 37 LEU CD2 C 13 23.6 0.20 . 2 . . . . . . . . 4572 1 294 . 1 1 37 37 LEU C C 13 178.4 0.20 . 1 . . . . . . . . 4572 1 295 . 1 1 38 38 SER N N 15 110.4 0.25 . 1 . . . . . . . . 4572 1 296 . 1 1 38 38 SER H H 1 8.17 0.01 . 1 . . . . . . . . 4572 1 297 . 1 1 38 38 SER CA C 13 58.0 0.20 . 1 . . . . . . . . 4572 1 298 . 1 1 38 38 SER HA H 1 4.01 0.01 . 1 . . . . . . . . 4572 1 299 . 1 1 38 38 SER CB C 13 61.0 0.20 . 1 . . . . . . . . 4572 1 300 . 1 1 38 38 SER HB2 H 1 3.99 0.01 . 2 . . . . . . . . 4572 1 301 . 1 1 38 38 SER HB3 H 1 3.87 0.01 . 2 . . . . . . . . 4572 1 302 . 1 1 38 38 SER C C 13 174.8 0.20 . 1 . . . . . . . . 4572 1 303 . 1 1 39 39 ASN N N 15 115.9 0.25 . 1 . . . . . . . . 4572 1 304 . 1 1 39 39 ASN H H 1 7.50 0.01 . 1 . . . . . . . . 4572 1 305 . 1 1 39 39 ASN CA C 13 50.1 0.20 . 1 . . . . . . . . 4572 1 306 . 1 1 39 39 ASN HA H 1 5.12 0.01 . 1 . . . . . . . . 4572 1 307 . 1 1 39 39 ASN CB C 13 37.0 0.20 . 1 . . . . . . . . 4572 1 308 . 1 1 39 39 ASN HB2 H 1 2.94 0.01 . 2 . . . . . . . . 4572 1 309 . 1 1 39 39 ASN HB3 H 1 2.82 0.01 . 2 . . . . . . . . 4572 1 310 . 1 1 39 39 ASN ND2 N 15 110.7 0.25 . 1 . . . . . . . . 4572 1 311 . 1 1 39 39 ASN HD21 H 1 7.55 0.01 . 2 . . . . . . . . 4572 1 312 . 1 1 39 39 ASN HD22 H 1 6.85 0.01 . 2 . . . . . . . . 4572 1 313 . 1 1 40 40 PRO CD C 13 47.7 0.20 . 1 . . . . . . . . 4572 1 314 . 1 1 40 40 PRO CA C 13 61.9 0.20 . 1 . . . . . . . . 4572 1 315 . 1 1 40 40 PRO HA H 1 4.71 0.01 . 1 . . . . . . . . 4572 1 316 . 1 1 40 40 PRO CB C 13 28.3 0.20 . 1 . . . . . . . . 4572 1 317 . 1 1 40 40 PRO HB2 H 1 1.75 0.01 . 1 . . . . . . . . 4572 1 318 . 1 1 40 40 PRO HB3 H 1 1.75 0.01 . 1 . . . . . . . . 4572 1 319 . 1 1 40 40 PRO CG C 13 24.6 0.20 . 1 . . . . . . . . 4572 1 320 . 1 1 40 40 PRO HG2 H 1 1.93 0.01 . 2 . . . . . . . . 4572 1 321 . 1 1 40 40 PRO HG3 H 1 1.50 0.01 . 2 . . . . . . . . 4572 1 322 . 1 1 40 40 PRO HD2 H 1 3.73 0.01 . 2 . . . . . . . . 4572 1 323 . 1 1 40 40 PRO HD3 H 1 3.66 0.01 . 2 . . . . . . . . 4572 1 324 . 1 1 40 40 PRO C C 13 174.1 0.20 . 1 . . . . . . . . 4572 1 325 . 1 1 41 41 TYR N N 15 118.9 0.25 . 1 . . . . . . . . 4572 1 326 . 1 1 41 41 TYR H H 1 7.63 0.01 . 1 . . . . . . . . 4572 1 327 . 1 1 41 41 TYR CA C 13 53.6 0.20 . 1 . . . . . . . . 4572 1 328 . 1 1 41 41 TYR HA H 1 4.76 0.01 . 1 . . . . . . . . 4572 1 329 . 1 1 41 41 TYR CB C 13 36.3 0.20 . 1 . . . . . . . . 4572 1 330 . 1 1 41 41 TYR HB2 H 1 2.92 0.01 . 2 . . . . . . . . 4572 1 331 . 1 1 41 41 TYR HB3 H 1 2.85 0.01 . 2 . . . . . . . . 4572 1 332 . 1 1 41 41 TYR HE1 H 1 6.89 0.01 . 1 . . . . . . . . 4572 1 333 . 1 1 41 41 TYR HE2 H 1 6.89 0.01 . 1 . . . . . . . . 4572 1 334 . 1 1 41 41 TYR HD1 H 1 7.15 0.01 . 1 . . . . . . . . 4572 1 335 . 1 1 41 41 TYR HD2 H 1 7.15 0.01 . 1 . . . . . . . . 4572 1 336 . 1 1 42 42 PRO CD C 13 48.5 0.20 . 1 . . . . . . . . 4572 1 337 . 1 1 42 42 PRO CA C 13 60.4 0.20 . 1 . . . . . . . . 4572 1 338 . 1 1 42 42 PRO HA H 1 4.38 0.01 . 1 . . . . . . . . 4572 1 339 . 1 1 42 42 PRO CB C 13 29.4 0.20 . 1 . . . . . . . . 4572 1 340 . 1 1 42 42 PRO HB2 H 1 1.62 0.01 . 2 . . . . . . . . 4572 1 341 . 1 1 42 42 PRO HB3 H 1 1.50 0.01 . 2 . . . . . . . . 4572 1 342 . 1 1 42 42 PRO CG C 13 24.5 0.20 . 1 . . . . . . . . 4572 1 343 . 1 1 42 42 PRO HG2 H 1 0.88 0.01 . 2 . . . . . . . . 4572 1 344 . 1 1 42 42 PRO HG3 H 1 0.36 0.01 . 2 . . . . . . . . 4572 1 345 . 1 1 42 42 PRO HD2 H 1 3.18 0.01 . 2 . . . . . . . . 4572 1 346 . 1 1 42 42 PRO HD3 H 1 2.82 0.01 . 2 . . . . . . . . 4572 1 347 . 1 1 42 42 PRO C C 13 176.5 0.20 . 1 . . . . . . . . 4572 1 348 . 1 1 43 43 SER N N 15 117.6 0.25 . 1 . . . . . . . . 4572 1 349 . 1 1 43 43 SER H H 1 8.36 0.01 . 1 . . . . . . . . 4572 1 350 . 1 1 43 43 SER CA C 13 55.5 0.20 . 1 . . . . . . . . 4572 1 351 . 1 1 43 43 SER HA H 1 4.42 0.01 . 1 . . . . . . . . 4572 1 352 . 1 1 43 43 SER CB C 13 63.2 0.20 . 1 . . . . . . . . 4572 1 353 . 1 1 43 43 SER HB2 H 1 4.45 0.01 . 2 . . . . . . . . 4572 1 354 . 1 1 43 43 SER HB3 H 1 4.16 0.01 . 2 . . . . . . . . 4572 1 355 . 1 1 43 43 SER C C 13 174.2 0.20 . 1 . . . . . . . . 4572 1 356 . 1 1 44 44 GLU N N 15 120.6 0.25 . 1 . . . . . . . . 4572 1 357 . 1 1 44 44 GLU H H 1 9.02 0.01 . 1 . . . . . . . . 4572 1 358 . 1 1 44 44 GLU CA C 13 58.0 0.20 . 1 . . . . . . . . 4572 1 359 . 1 1 44 44 GLU HA H 1 3.90 0.01 . 1 . . . . . . . . 4572 1 360 . 1 1 44 44 GLU CB C 13 26.2 0.20 . 1 . . . . . . . . 4572 1 361 . 1 1 44 44 GLU HB2 H 1 2.05 0.01 . 1 . . . . . . . . 4572 1 362 . 1 1 44 44 GLU HB3 H 1 2.05 0.01 . 1 . . . . . . . . 4572 1 363 . 1 1 44 44 GLU CG C 13 32.5 0.20 . 1 . . . . . . . . 4572 1 364 . 1 1 44 44 GLU HG2 H 1 2.53 0.01 . 2 . . . . . . . . 4572 1 365 . 1 1 44 44 GLU HG3 H 1 2.43 0.01 . 2 . . . . . . . . 4572 1 366 . 1 1 44 44 GLU C C 13 178.5 0.20 . 1 . . . . . . . . 4572 1 367 . 1 1 45 45 GLU N N 15 118.4 0.25 . 1 . . . . . . . . 4572 1 368 . 1 1 45 45 GLU H H 1 8.73 0.01 . 1 . . . . . . . . 4572 1 369 . 1 1 45 45 GLU CA C 13 58.1 0.20 . 1 . . . . . . . . 4572 1 370 . 1 1 45 45 GLU HA H 1 4.00 0.01 . 1 . . . . . . . . 4572 1 371 . 1 1 45 45 GLU CB C 13 26.7 0.20 . 1 . . . . . . . . 4572 1 372 . 1 1 45 45 GLU HB2 H 1 2.12 0.01 . 2 . . . . . . . . 4572 1 373 . 1 1 45 45 GLU HB3 H 1 1.98 0.01 . 2 . . . . . . . . 4572 1 374 . 1 1 45 45 GLU CG C 13 33.8 0.20 . 1 . . . . . . . . 4572 1 375 . 1 1 45 45 GLU HG2 H 1 2.44 0.01 . 1 . . . . . . . . 4572 1 376 . 1 1 45 45 GLU HG3 H 1 2.44 0.01 . 1 . . . . . . . . 4572 1 377 . 1 1 45 45 GLU C C 13 178.8 0.20 . 1 . . . . . . . . 4572 1 378 . 1 1 46 46 ALA N N 15 123.6 0.25 . 1 . . . . . . . . 4572 1 379 . 1 1 46 46 ALA H H 1 7.92 0.01 . 1 . . . . . . . . 4572 1 380 . 1 1 46 46 ALA CA C 13 53.2 0.20 . 1 . . . . . . . . 4572 1 381 . 1 1 46 46 ALA HA H 1 4.11 0.01 . 1 . . . . . . . . 4572 1 382 . 1 1 46 46 ALA HB1 H 1 1.34 0.01 . 1 . . . . . . . . 4572 1 383 . 1 1 46 46 ALA HB2 H 1 1.34 0.01 . 1 . . . . . . . . 4572 1 384 . 1 1 46 46 ALA HB3 H 1 1.34 0.01 . 1 . . . . . . . . 4572 1 385 . 1 1 46 46 ALA CB C 13 16.3 0.20 . 1 . . . . . . . . 4572 1 386 . 1 1 46 46 ALA C C 13 180.7 0.20 . 1 . . . . . . . . 4572 1 387 . 1 1 47 47 LYS N N 15 117.0 0.25 . 1 . . . . . . . . 4572 1 388 . 1 1 47 47 LYS H H 1 8.52 0.01 . 1 . . . . . . . . 4572 1 389 . 1 1 47 47 LYS CA C 13 59.2 0.20 . 1 . . . . . . . . 4572 1 390 . 1 1 47 47 LYS HA H 1 3.68 0.01 . 1 . . . . . . . . 4572 1 391 . 1 1 47 47 LYS CB C 13 31.2 0.20 . 1 . . . . . . . . 4572 1 392 . 1 1 47 47 LYS HB2 H 1 2.05 0.01 . 1 . . . . . . . . 4572 1 393 . 1 1 47 47 LYS HB3 H 1 2.05 0.01 . 1 . . . . . . . . 4572 1 394 . 1 1 47 47 LYS CG C 13 25.0 0.20 . 1 . . . . . . . . 4572 1 395 . 1 1 47 47 LYS HG2 H 1 0.88 0.01 . 1 . . . . . . . . 4572 1 396 . 1 1 47 47 LYS HG3 H 1 0.88 0.01 . 1 . . . . . . . . 4572 1 397 . 1 1 47 47 LYS CD C 13 28.1 0.20 . 1 . . . . . . . . 4572 1 398 . 1 1 47 47 LYS HD2 H 1 1.60 0.01 . 1 . . . . . . . . 4572 1 399 . 1 1 47 47 LYS HD3 H 1 1.60 0.01 . 1 . . . . . . . . 4572 1 400 . 1 1 47 47 LYS CE C 13 40.0 0.20 . 1 . . . . . . . . 4572 1 401 . 1 1 47 47 LYS HE2 H 1 2.87 0.01 . 2 . . . . . . . . 4572 1 402 . 1 1 47 47 LYS HE3 H 1 2.67 0.01 . 2 . . . . . . . . 4572 1 403 . 1 1 47 47 LYS C C 13 178.4 0.20 . 1 . . . . . . . . 4572 1 404 . 1 1 48 48 GLU N N 15 118.7 0.25 . 1 . . . . . . . . 4572 1 405 . 1 1 48 48 GLU H H 1 8.15 0.01 . 1 . . . . . . . . 4572 1 406 . 1 1 48 48 GLU CA C 13 57.5 0.20 . 1 . . . . . . . . 4572 1 407 . 1 1 48 48 GLU HA H 1 3.92 0.01 . 1 . . . . . . . . 4572 1 408 . 1 1 48 48 GLU CB C 13 26.6 0.20 . 1 . . . . . . . . 4572 1 409 . 1 1 48 48 GLU HB2 H 1 2.22 0.01 . 2 . . . . . . . . 4572 1 410 . 1 1 48 48 GLU HB3 H 1 2.13 0.01 . 2 . . . . . . . . 4572 1 411 . 1 1 48 48 GLU CG C 13 33.3 0.20 . 1 . . . . . . . . 4572 1 412 . 1 1 48 48 GLU HG2 H 1 2.67 0.01 . 2 . . . . . . . . 4572 1 413 . 1 1 48 48 GLU HG3 H 1 2.39 0.01 . 2 . . . . . . . . 4572 1 414 . 1 1 48 48 GLU C C 13 179.1 0.20 . 1 . . . . . . . . 4572 1 415 . 1 1 49 49 GLU N N 15 120.6 0.25 . 1 . . . . . . . . 4572 1 416 . 1 1 49 49 GLU H H 1 7.84 0.01 . 1 . . . . . . . . 4572 1 417 . 1 1 49 49 GLU CA C 13 57.4 0.20 . 1 . . . . . . . . 4572 1 418 . 1 1 49 49 GLU HA H 1 4.11 0.01 . 1 . . . . . . . . 4572 1 419 . 1 1 49 49 GLU CB C 13 27.0 0.20 . 1 . . . . . . . . 4572 1 420 . 1 1 49 49 GLU HB2 H 1 2.22 0.01 . 2 . . . . . . . . 4572 1 421 . 1 1 49 49 GLU HB3 H 1 2.13 0.01 . 2 . . . . . . . . 4572 1 422 . 1 1 49 49 GLU CG C 13 33.2 0.20 . 1 . . . . . . . . 4572 1 423 . 1 1 49 49 GLU HG2 H 1 2.53 0.01 . 2 . . . . . . . . 4572 1 424 . 1 1 49 49 GLU HG3 H 1 2.36 0.01 . 2 . . . . . . . . 4572 1 425 . 1 1 49 49 GLU C C 13 179.5 0.20 . 1 . . . . . . . . 4572 1 426 . 1 1 50 50 LEU N N 15 120.0 0.25 . 1 . . . . . . . . 4572 1 427 . 1 1 50 50 LEU H H 1 8.33 0.01 . 1 . . . . . . . . 4572 1 428 . 1 1 50 50 LEU CA C 13 56.1 0.20 . 1 . . . . . . . . 4572 1 429 . 1 1 50 50 LEU HA H 1 3.90 0.01 . 1 . . . . . . . . 4572 1 430 . 1 1 50 50 LEU CB C 13 40.6 0.20 . 1 . . . . . . . . 4572 1 431 . 1 1 50 50 LEU HB2 H 1 1.89 0.01 . 2 . . . . . . . . 4572 1 432 . 1 1 50 50 LEU HB3 H 1 1.10 0.01 . 2 . . . . . . . . 4572 1 433 . 1 1 50 50 LEU CG C 13 25.0 0.20 . 1 . . . . . . . . 4572 1 434 . 1 1 50 50 LEU HG H 1 1.56 0.01 . 1 . . . . . . . . 4572 1 435 . 1 1 50 50 LEU HD11 H 1 0.14 0.01 . 1 . . . . . . . . 4572 1 436 . 1 1 50 50 LEU HD12 H 1 0.14 0.01 . 1 . . . . . . . . 4572 1 437 . 1 1 50 50 LEU HD13 H 1 0.14 0.01 . 1 . . . . . . . . 4572 1 438 . 1 1 50 50 LEU HD21 H 1 0.67 0.01 . 1 . . . . . . . . 4572 1 439 . 1 1 50 50 LEU HD22 H 1 0.67 0.01 . 1 . . . . . . . . 4572 1 440 . 1 1 50 50 LEU HD23 H 1 0.67 0.01 . 1 . . . . . . . . 4572 1 441 . 1 1 50 50 LEU CD1 C 13 22.5 0.20 . 2 . . . . . . . . 4572 1 442 . 1 1 50 50 LEU CD2 C 13 20.8 0.20 . 2 . . . . . . . . 4572 1 443 . 1 1 50 50 LEU C C 13 178.5 0.20 . 1 . . . . . . . . 4572 1 444 . 1 1 51 51 ALA N N 15 122.8 0.25 . 1 . . . . . . . . 4572 1 445 . 1 1 51 51 ALA H H 1 8.66 0.01 . 1 . . . . . . . . 4572 1 446 . 1 1 51 51 ALA CA C 13 54.2 0.20 . 1 . . . . . . . . 4572 1 447 . 1 1 51 51 ALA HA H 1 3.54 0.01 . 1 . . . . . . . . 4572 1 448 . 1 1 51 51 ALA HB1 H 1 1.48 0.01 . 1 . . . . . . . . 4572 1 449 . 1 1 51 51 ALA HB2 H 1 1.48 0.01 . 1 . . . . . . . . 4572 1 450 . 1 1 51 51 ALA HB3 H 1 1.48 0.01 . 1 . . . . . . . . 4572 1 451 . 1 1 51 51 ALA CB C 13 15.9 0.20 . 1 . . . . . . . . 4572 1 452 . 1 1 51 51 ALA C C 13 179.7 0.20 . 1 . . . . . . . . 4572 1 453 . 1 1 52 52 LYS N N 15 116.7 0.25 . 1 . . . . . . . . 4572 1 454 . 1 1 52 52 LYS H H 1 7.64 0.01 . 1 . . . . . . . . 4572 1 455 . 1 1 52 52 LYS CA C 13 57.4 0.20 . 1 . . . . . . . . 4572 1 456 . 1 1 52 52 LYS HA H 1 4.10 0.01 . 1 . . . . . . . . 4572 1 457 . 1 1 52 52 LYS CB C 13 30.6 0.20 . 1 . . . . . . . . 4572 1 458 . 1 1 52 52 LYS HB2 H 1 1.98 0.01 . 1 . . . . . . . . 4572 1 459 . 1 1 52 52 LYS HB3 H 1 1.98 0.01 . 1 . . . . . . . . 4572 1 460 . 1 1 52 52 LYS CG C 13 23.3 0.20 . 1 . . . . . . . . 4572 1 461 . 1 1 52 52 LYS HG2 H 1 1.63 0.01 . 2 . . . . . . . . 4572 1 462 . 1 1 52 52 LYS HG3 H 1 1.50 0.01 . 2 . . . . . . . . 4572 1 463 . 1 1 52 52 LYS CD C 13 27.5 0.20 . 1 . . . . . . . . 4572 1 464 . 1 1 52 52 LYS HD2 H 1 1.75 0.01 . 1 . . . . . . . . 4572 1 465 . 1 1 52 52 LYS HD3 H 1 1.75 0.01 . 1 . . . . . . . . 4572 1 466 . 1 1 52 52 LYS CE C 13 40.3 0.20 . 1 . . . . . . . . 4572 1 467 . 1 1 52 52 LYS HE2 H 1 3.03 0.01 . 1 . . . . . . . . 4572 1 468 . 1 1 52 52 LYS HE3 H 1 3.03 0.01 . 1 . . . . . . . . 4572 1 469 . 1 1 52 52 LYS C C 13 179.9 0.20 . 1 . . . . . . . . 4572 1 470 . 1 1 53 53 LYS N N 15 118.9 0.25 . 1 . . . . . . . . 4572 1 471 . 1 1 53 53 LYS H H 1 8.06 0.01 . 1 . . . . . . . . 4572 1 472 . 1 1 53 53 LYS CA C 13 57.5 0.20 . 1 . . . . . . . . 4572 1 473 . 1 1 53 53 LYS HA H 1 4.10 0.01 . 1 . . . . . . . . 4572 1 474 . 1 1 53 53 LYS CB C 13 31.7 0.20 . 1 . . . . . . . . 4572 1 475 . 1 1 53 53 LYS HB2 H 1 2.02 0.01 . 2 . . . . . . . . 4572 1 476 . 1 1 53 53 LYS HB3 H 1 1.98 0.01 . 2 . . . . . . . . 4572 1 477 . 1 1 53 53 LYS CG C 13 23.9 0.20 . 1 . . . . . . . . 4572 1 478 . 1 1 53 53 LYS HG2 H 1 1.72 0.01 . 2 . . . . . . . . 4572 1 479 . 1 1 53 53 LYS HG3 H 1 1.58 0.01 . 2 . . . . . . . . 4572 1 480 . 1 1 53 53 LYS CD C 13 27.8 0.20 . 1 . . . . . . . . 4572 1 481 . 1 1 53 53 LYS HD2 H 1 1.72 0.01 . 1 . . . . . . . . 4572 1 482 . 1 1 53 53 LYS HD3 H 1 1.72 0.01 . 1 . . . . . . . . 4572 1 483 . 1 1 53 53 LYS CE C 13 40.3 0.20 . 1 . . . . . . . . 4572 1 484 . 1 1 53 53 LYS HE2 H 1 3.04 0.01 . 1 . . . . . . . . 4572 1 485 . 1 1 53 53 LYS HE3 H 1 3.04 0.01 . 1 . . . . . . . . 4572 1 486 . 1 1 53 53 LYS C C 13 178.6 0.20 . 1 . . . . . . . . 4572 1 487 . 1 1 54 54 CYS N N 15 112.9 0.25 . 1 . . . . . . . . 4572 1 488 . 1 1 54 54 CYS H H 1 8.22 0.01 . 1 . . . . . . . . 4572 1 489 . 1 1 54 54 CYS CA C 13 59.5 0.20 . 1 . . . . . . . . 4572 1 490 . 1 1 54 54 CYS HA H 1 4.16 0.01 . 1 . . . . . . . . 4572 1 491 . 1 1 54 54 CYS CB C 13 28.2 0.20 . 1 . . . . . . . . 4572 1 492 . 1 1 54 54 CYS HB2 H 1 2.91 0.01 . 2 . . . . . . . . 4572 1 493 . 1 1 54 54 CYS HB3 H 1 2.68 0.01 . 2 . . . . . . . . 4572 1 494 . 1 1 54 54 CYS C C 13 174.6 0.20 . 1 . . . . . . . . 4572 1 495 . 1 1 55 55 GLY N N 15 109.9 0.25 . 1 . . . . . . . . 4572 1 496 . 1 1 55 55 GLY H H 1 8.02 0.01 . 1 . . . . . . . . 4572 1 497 . 1 1 55 55 GLY CA C 13 45.0 0.20 . 1 . . . . . . . . 4572 1 498 . 1 1 55 55 GLY HA2 H 1 4.01 0.01 . 1 . . . . . . . . 4572 1 499 . 1 1 55 55 GLY HA3 H 1 4.01 0.01 . 1 . . . . . . . . 4572 1 500 . 1 1 55 55 GLY C C 13 174.8 0.20 . 1 . . . . . . . . 4572 1 501 . 1 1 56 56 ILE N N 15 112.1 0.25 . 1 . . . . . . . . 4572 1 502 . 1 1 56 56 ILE H H 1 7.78 0.01 . 1 . . . . . . . . 4572 1 503 . 1 1 56 56 ILE CA C 13 57.3 0.20 . 1 . . . . . . . . 4572 1 504 . 1 1 56 56 ILE HA H 1 4.97 0.01 . 1 . . . . . . . . 4572 1 505 . 1 1 56 56 ILE CB C 13 38.2 0.20 . 1 . . . . . . . . 4572 1 506 . 1 1 56 56 ILE HB H 1 2.25 0.01 . 1 . . . . . . . . 4572 1 507 . 1 1 56 56 ILE HG21 H 1 0.81 0.01 . 1 . . . . . . . . 4572 1 508 . 1 1 56 56 ILE HG22 H 1 0.81 0.01 . 1 . . . . . . . . 4572 1 509 . 1 1 56 56 ILE HG23 H 1 0.81 0.01 . 1 . . . . . . . . 4572 1 510 . 1 1 56 56 ILE CG2 C 13 15.4 0.20 . 1 . . . . . . . . 4572 1 511 . 1 1 56 56 ILE CG1 C 13 22.3 0.20 . 1 . . . . . . . . 4572 1 512 . 1 1 56 56 ILE HG12 H 1 1.48 0.01 . 2 . . . . . . . . 4572 1 513 . 1 1 56 56 ILE HG13 H 1 0.83 0.01 . 2 . . . . . . . . 4572 1 514 . 1 1 56 56 ILE HD11 H 1 0.67 0.01 . 1 . . . . . . . . 4572 1 515 . 1 1 56 56 ILE HD12 H 1 0.67 0.01 . 1 . . . . . . . . 4572 1 516 . 1 1 56 56 ILE HD13 H 1 0.67 0.01 . 1 . . . . . . . . 4572 1 517 . 1 1 56 56 ILE CD1 C 13 11.9 0.20 . 1 . . . . . . . . 4572 1 518 . 1 1 56 56 ILE C C 13 174.2 0.20 . 1 . . . . . . . . 4572 1 519 . 1 1 57 57 THR N N 15 108.2 0.25 . 1 . . . . . . . . 4572 1 520 . 1 1 57 57 THR H H 1 8.20 0.01 . 1 . . . . . . . . 4572 1 521 . 1 1 57 57 THR CA C 13 58.7 0.20 . 1 . . . . . . . . 4572 1 522 . 1 1 57 57 THR HA H 1 4.68 0.01 . 1 . . . . . . . . 4572 1 523 . 1 1 57 57 THR CB C 13 69.6 0.20 . 1 . . . . . . . . 4572 1 524 . 1 1 57 57 THR HB H 1 4.78 0.01 . 1 . . . . . . . . 4572 1 525 . 1 1 57 57 THR HG21 H 1 1.34 0.01 . 1 . . . . . . . . 4572 1 526 . 1 1 57 57 THR HG22 H 1 1.34 0.01 . 1 . . . . . . . . 4572 1 527 . 1 1 57 57 THR HG23 H 1 1.34 0.01 . 1 . . . . . . . . 4572 1 528 . 1 1 57 57 THR CG2 C 13 20.0 0.20 . 1 . . . . . . . . 4572 1 529 . 1 1 57 57 THR C C 13 176.7 0.20 . 1 . . . . . . . . 4572 1 530 . 1 1 58 58 VAL N N 15 120.6 0.25 . 1 . . . . . . . . 4572 1 531 . 1 1 58 58 VAL H H 1 8.99 0.01 . 1 . . . . . . . . 4572 1 532 . 1 1 58 58 VAL CA C 13 65.5 0.20 . 1 . . . . . . . . 4572 1 533 . 1 1 58 58 VAL HA H 1 3.54 0.01 . 1 . . . . . . . . 4572 1 534 . 1 1 58 58 VAL CB C 13 29.6 0.20 . 1 . . . . . . . . 4572 1 535 . 1 1 58 58 VAL HB H 1 2.12 0.01 . 1 . . . . . . . . 4572 1 536 . 1 1 58 58 VAL HG11 H 1 1.01 0.01 . 1 . . . . . . . . 4572 1 537 . 1 1 58 58 VAL HG12 H 1 1.01 0.01 . 1 . . . . . . . . 4572 1 538 . 1 1 58 58 VAL HG13 H 1 1.01 0.01 . 1 . . . . . . . . 4572 1 539 . 1 1 58 58 VAL HG21 H 1 1.05 0.01 . 1 . . . . . . . . 4572 1 540 . 1 1 58 58 VAL HG22 H 1 1.05 0.01 . 1 . . . . . . . . 4572 1 541 . 1 1 58 58 VAL HG23 H 1 1.05 0.01 . 1 . . . . . . . . 4572 1 542 . 1 1 58 58 VAL CG1 C 13 19.7 0.20 . 1 . . . . . . . . 4572 1 543 . 1 1 58 58 VAL CG2 C 13 21.8 0.20 . 1 . . . . . . . . 4572 1 544 . 1 1 58 58 VAL C C 13 178.4 0.20 . 1 . . . . . . . . 4572 1 545 . 1 1 59 59 SER N N 15 115.6 0.25 . 1 . . . . . . . . 4572 1 546 . 1 1 59 59 SER H H 1 8.42 0.01 . 1 . . . . . . . . 4572 1 547 . 1 1 59 59 SER CA C 13 60.4 0.20 . 1 . . . . . . . . 4572 1 548 . 1 1 59 59 SER HA H 1 4.37 0.01 . 1 . . . . . . . . 4572 1 549 . 1 1 59 59 SER CB C 13 60.7 0.20 . 1 . . . . . . . . 4572 1 550 . 1 1 59 59 SER HB2 H 1 3.96 0.01 . 1 . . . . . . . . 4572 1 551 . 1 1 59 59 SER HB3 H 1 3.96 0.01 . 1 . . . . . . . . 4572 1 552 . 1 1 59 59 SER C C 13 177.2 0.20 . 1 . . . . . . . . 4572 1 553 . 1 1 60 60 GLN N N 15 121.4 0.25 . 1 . . . . . . . . 4572 1 554 . 1 1 60 60 GLN H H 1 7.86 0.01 . 1 . . . . . . . . 4572 1 555 . 1 1 60 60 GLN CA C 13 57.7 0.20 . 1 . . . . . . . . 4572 1 556 . 1 1 60 60 GLN HA H 1 4.14 0.01 . 1 . . . . . . . . 4572 1 557 . 1 1 60 60 GLN CB C 13 27.5 0.20 . 1 . . . . . . . . 4572 1 558 . 1 1 60 60 GLN HB2 H 1 2.51 0.01 . 2 . . . . . . . . 4572 1 559 . 1 1 60 60 GLN HB3 H 1 2.01 0.01 . 2 . . . . . . . . 4572 1 560 . 1 1 60 60 GLN CG C 13 33.8 0.20 . 1 . . . . . . . . 4572 1 561 . 1 1 60 60 GLN HG2 H 1 2.51 0.01 . 1 . . . . . . . . 4572 1 562 . 1 1 60 60 GLN HG3 H 1 2.51 0.01 . 1 . . . . . . . . 4572 1 563 . 1 1 60 60 GLN NE2 N 15 112.1 0.25 . 1 . . . . . . . . 4572 1 564 . 1 1 60 60 GLN HE21 H 1 7.68 0.01 . 1 . . . . . . . . 4572 1 565 . 1 1 60 60 GLN HE22 H 1 7.00 0.01 . 1 . . . . . . . . 4572 1 566 . 1 1 60 60 GLN C C 13 179.8 0.20 . 1 . . . . . . . . 4572 1 567 . 1 1 61 61 VAL N N 15 122.0 0.25 . 1 . . . . . . . . 4572 1 568 . 1 1 61 61 VAL H H 1 8.19 0.01 . 1 . . . . . . . . 4572 1 569 . 1 1 61 61 VAL CA C 13 65.8 0.20 . 1 . . . . . . . . 4572 1 570 . 1 1 61 61 VAL HA H 1 3.63 0.01 . 1 . . . . . . . . 4572 1 571 . 1 1 61 61 VAL CB C 13 30.2 0.20 . 1 . . . . . . . . 4572 1 572 . 1 1 61 61 VAL HB H 1 2.54 0.01 . 1 . . . . . . . . 4572 1 573 . 1 1 61 61 VAL HG11 H 1 1.14 0.01 . 1 . . . . . . . . 4572 1 574 . 1 1 61 61 VAL HG12 H 1 1.14 0.01 . 1 . . . . . . . . 4572 1 575 . 1 1 61 61 VAL HG13 H 1 1.14 0.01 . 1 . . . . . . . . 4572 1 576 . 1 1 61 61 VAL HG21 H 1 1.07 0.01 . 1 . . . . . . . . 4572 1 577 . 1 1 61 61 VAL HG22 H 1 1.07 0.01 . 1 . . . . . . . . 4572 1 578 . 1 1 61 61 VAL HG23 H 1 1.07 0.01 . 1 . . . . . . . . 4572 1 579 . 1 1 61 61 VAL CG1 C 13 21.0 0.20 . 1 . . . . . . . . 4572 1 580 . 1 1 61 61 VAL CG2 C 13 20.9 0.20 . 1 . . . . . . . . 4572 1 581 . 1 1 61 61 VAL C C 13 178.1 0.20 . 1 . . . . . . . . 4572 1 582 . 1 1 62 62 SER N N 15 115.9 0.25 . 1 . . . . . . . . 4572 1 583 . 1 1 62 62 SER H H 1 9.08 0.01 . 1 . . . . . . . . 4572 1 584 . 1 1 62 62 SER CA C 13 61.0 0.20 . 1 . . . . . . . . 4572 1 585 . 1 1 62 62 SER HA H 1 4.14 0.01 . 1 . . . . . . . . 4572 1 586 . 1 1 62 62 SER CB C 13 60.9 0.20 . 1 . . . . . . . . 4572 1 587 . 1 1 62 62 SER HB2 H 1 4.21 0.01 . 1 . . . . . . . . 4572 1 588 . 1 1 62 62 SER HB3 H 1 4.21 0.01 . 1 . . . . . . . . 4572 1 589 . 1 1 62 62 SER C C 13 177.8 0.20 . 1 . . . . . . . . 4572 1 590 . 1 1 63 63 ASN N N 15 120.6 0.25 . 1 . . . . . . . . 4572 1 591 . 1 1 63 63 ASN H H 1 8.66 0.01 . 1 . . . . . . . . 4572 1 592 . 1 1 63 63 ASN CA C 13 54.3 0.20 . 1 . . . . . . . . 4572 1 593 . 1 1 63 63 ASN HA H 1 4.57 0.01 . 1 . . . . . . . . 4572 1 594 . 1 1 63 63 ASN CB C 13 36.7 0.20 . 1 . . . . . . . . 4572 1 595 . 1 1 63 63 ASN HB2 H 1 2.93 0.01 . 2 . . . . . . . . 4572 1 596 . 1 1 63 63 ASN HB3 H 1 2.86 0.01 . 2 . . . . . . . . 4572 1 597 . 1 1 63 63 ASN ND2 N 15 112.3 0.25 . 1 . . . . . . . . 4572 1 598 . 1 1 63 63 ASN HD21 H 1 7.68 0.01 . 2 . . . . . . . . 4572 1 599 . 1 1 63 63 ASN HD22 H 1 7.00 0.01 . 2 . . . . . . . . 4572 1 600 . 1 1 63 63 ASN C C 13 177.0 0.20 . 1 . . . . . . . . 4572 1 601 . 1 1 64 64 TRP N N 15 122.8 0.25 . 1 . . . . . . . . 4572 1 602 . 1 1 64 64 TRP H H 1 8.30 0.01 . 1 . . . . . . . . 4572 1 603 . 1 1 64 64 TRP CA C 13 61.0 0.20 . 1 . . . . . . . . 4572 1 604 . 1 1 64 64 TRP HA H 1 4.07 0.01 . 1 . . . . . . . . 4572 1 605 . 1 1 64 64 TRP HB2 H 1 3.52 0.01 . 2 . . . . . . . . 4572 1 606 . 1 1 64 64 TRP HB3 H 1 3.25 0.01 . 2 . . . . . . . . 4572 1 607 . 1 1 64 64 TRP NE1 N 15 128.6 0.25 . 1 . . . . . . . . 4572 1 608 . 1 1 64 64 TRP HD1 H 1 7.15 0.01 . 1 . . . . . . . . 4572 1 609 . 1 1 64 64 TRP HE3 H 1 6.28 0.01 . 1 . . . . . . . . 4572 1 610 . 1 1 64 64 TRP HE1 H 1 10.00 0.01 . 1 . . . . . . . . 4572 1 611 . 1 1 64 64 TRP HZ3 H 1 5.80 0.01 . 1 . . . . . . . . 4572 1 612 . 1 1 64 64 TRP HZ2 H 1 7.26 0.01 . 1 . . . . . . . . 4572 1 613 . 1 1 64 64 TRP HH2 H 1 6.59 0.01 . 1 . . . . . . . . 4572 1 614 . 1 1 64 64 TRP C C 13 179.9 0.20 . 1 . . . . . . . . 4572 1 615 . 1 1 65 65 PHE N N 15 117.6 0.25 . 1 . . . . . . . . 4572 1 616 . 1 1 65 65 PHE H H 1 8.63 0.01 . 1 . . . . . . . . 4572 1 617 . 1 1 65 65 PHE CA C 13 61.7 0.20 . 1 . . . . . . . . 4572 1 618 . 1 1 65 65 PHE HA H 1 3.90 0.01 . 1 . . . . . . . . 4572 1 619 . 1 1 65 65 PHE HB2 H 1 3.36 0.01 . 2 . . . . . . . . 4572 1 620 . 1 1 65 65 PHE HB3 H 1 3.25 0.01 . 2 . . . . . . . . 4572 1 621 . 1 1 65 65 PHE HZ H 1 7.39 0.01 . 1 . . . . . . . . 4572 1 622 . 1 1 65 65 PHE HD1 H 1 7.24 0.01 . 1 . . . . . . . . 4572 1 623 . 1 1 65 65 PHE HD2 H 1 7.24 0.01 . 1 . . . . . . . . 4572 1 624 . 1 1 65 65 PHE HE1 H 1 7.76 0.01 . 1 . . . . . . . . 4572 1 625 . 1 1 65 65 PHE HE2 H 1 7.76 0.01 . 1 . . . . . . . . 4572 1 626 . 1 1 65 65 PHE C C 13 178.3 0.20 . 1 . . . . . . . . 4572 1 627 . 1 1 66 66 GLY N N 15 106.3 0.25 . 1 . . . . . . . . 4572 1 628 . 1 1 66 66 GLY H H 1 8.39 0.01 . 1 . . . . . . . . 4572 1 629 . 1 1 66 66 GLY CA C 13 45.7 0.20 . 1 . . . . . . . . 4572 1 630 . 1 1 66 66 GLY HA2 H 1 4.08 0.01 . 2 . . . . . . . . 4572 1 631 . 1 1 66 66 GLY HA3 H 1 3.92 0.01 . 2 . . . . . . . . 4572 1 632 . 1 1 66 66 GLY C C 13 176.0 0.20 . 1 . . . . . . . . 4572 1 633 . 1 1 67 67 ASN N N 15 118.4 0.25 . 1 . . . . . . . . 4572 1 634 . 1 1 67 67 ASN H H 1 7.63 0.01 . 1 . . . . . . . . 4572 1 635 . 1 1 67 67 ASN CA C 13 53.4 0.20 . 1 . . . . . . . . 4572 1 636 . 1 1 67 67 ASN HA H 1 4.50 0.01 . 1 . . . . . . . . 4572 1 637 . 1 1 67 67 ASN CB C 13 37.0 0.20 . 1 . . . . . . . . 4572 1 638 . 1 1 67 67 ASN HB2 H 1 2.63 0.01 . 2 . . . . . . . . 4572 1 639 . 1 1 67 67 ASN HB3 H 1 2.56 0.01 . 2 . . . . . . . . 4572 1 640 . 1 1 67 67 ASN ND2 N 15 113.2 0.25 . 1 . . . . . . . . 4572 1 641 . 1 1 67 67 ASN HD21 H 1 7.43 0.01 . 2 . . . . . . . . 4572 1 642 . 1 1 67 67 ASN HD22 H 1 6.84 0.01 . 2 . . . . . . . . 4572 1 643 . 1 1 67 67 ASN C C 13 176.7 0.20 . 1 . . . . . . . . 4572 1 644 . 1 1 68 68 LYS N N 15 120.9 0.25 . 1 . . . . . . . . 4572 1 645 . 1 1 68 68 LYS H H 1 7.73 0.01 . 1 . . . . . . . . 4572 1 646 . 1 1 68 68 LYS CA C 13 54.9 0.20 . 1 . . . . . . . . 4572 1 647 . 1 1 68 68 LYS HA H 1 3.54 0.01 . 1 . . . . . . . . 4572 1 648 . 1 1 68 68 LYS CB C 13 29.8 0.20 . 1 . . . . . . . . 4572 1 649 . 1 1 68 68 LYS HB2 H 1 1.05 0.01 . 2 . . . . . . . . 4572 1 650 . 1 1 68 68 LYS HB3 H 1 0.40 0.01 . 2 . . . . . . . . 4572 1 651 . 1 1 68 68 LYS HG2 H 1 -0.15 0.01 . 1 . . . . . . . . 4572 1 652 . 1 1 68 68 LYS HG3 H 1 -0.15 0.01 . 1 . . . . . . . . 4572 1 653 . 1 1 68 68 LYS CD C 13 25.9 0.20 . 1 . . . . . . . . 4572 1 654 . 1 1 68 68 LYS HD2 H 1 0.98 0.01 . 2 . . . . . . . . 4572 1 655 . 1 1 68 68 LYS HD3 H 1 0.52 0.01 . 2 . . . . . . . . 4572 1 656 . 1 1 68 68 LYS CE C 13 40.3 0.20 . 1 . . . . . . . . 4572 1 657 . 1 1 68 68 LYS HE2 H 1 2.15 0.01 . 1 . . . . . . . . 4572 1 658 . 1 1 68 68 LYS HE3 H 1 2.15 0.01 . 1 . . . . . . . . 4572 1 659 . 1 1 68 68 LYS C C 13 178.0 0.20 . 1 . . . . . . . . 4572 1 660 . 1 1 69 69 ARG N N 15 116.2 0.25 . 1 . . . . . . . . 4572 1 661 . 1 1 69 69 ARG H H 1 7.91 0.01 . 1 . . . . . . . . 4572 1 662 . 1 1 69 69 ARG CA C 13 57.4 0.20 . 1 . . . . . . . . 4572 1 663 . 1 1 69 69 ARG HA H 1 4.18 0.01 . 1 . . . . . . . . 4572 1 664 . 1 1 69 69 ARG CB C 13 29.6 0.20 . 1 . . . . . . . . 4572 1 665 . 1 1 69 69 ARG HB2 H 1 1.91 0.01 . 1 . . . . . . . . 4572 1 666 . 1 1 69 69 ARG HB3 H 1 1.91 0.01 . 1 . . . . . . . . 4572 1 667 . 1 1 69 69 ARG CG C 13 27.0 0.20 . 1 . . . . . . . . 4572 1 668 . 1 1 69 69 ARG HG2 H 1 1.82 0.01 . 1 . . . . . . . . 4572 1 669 . 1 1 69 69 ARG HG3 H 1 1.82 0.01 . 1 . . . . . . . . 4572 1 670 . 1 1 69 69 ARG CD C 13 41.6 0.20 . 1 . . . . . . . . 4572 1 671 . 1 1 69 69 ARG HD2 H 1 3.01 0.01 . 2 . . . . . . . . 4572 1 672 . 1 1 69 69 ARG HD3 H 1 2.89 0.01 . 2 . . . . . . . . 4572 1 673 . 1 1 69 69 ARG NE N 15 117.8 0.25 . 1 . . . . . . . . 4572 1 674 . 1 1 69 69 ARG HE H 1 7.35 0.01 . 1 . . . . . . . . 4572 1 675 . 1 1 69 69 ARG C C 13 178.0 0.20 . 1 . . . . . . . . 4572 1 676 . 1 1 70 70 ILE N N 15 118.1 0.25 . 1 . . . . . . . . 4572 1 677 . 1 1 70 70 ILE H H 1 7.45 0.01 . 1 . . . . . . . . 4572 1 678 . 1 1 70 70 ILE CA C 13 61.3 0.20 . 1 . . . . . . . . 4572 1 679 . 1 1 70 70 ILE HA H 1 4.04 0.01 . 1 . . . . . . . . 4572 1 680 . 1 1 70 70 ILE CB C 13 36.5 0.20 . 1 . . . . . . . . 4572 1 681 . 1 1 70 70 ILE HB H 1 1.98 0.01 . 1 . . . . . . . . 4572 1 682 . 1 1 70 70 ILE HG21 H 1 0.90 0.01 . 1 . . . . . . . . 4572 1 683 . 1 1 70 70 ILE HG22 H 1 0.90 0.01 . 1 . . . . . . . . 4572 1 684 . 1 1 70 70 ILE HG23 H 1 0.90 0.01 . 1 . . . . . . . . 4572 1 685 . 1 1 70 70 ILE CG2 C 13 15.8 0.20 . 1 . . . . . . . . 4572 1 686 . 1 1 70 70 ILE CG1 C 13 26.5 0.20 . 1 . . . . . . . . 4572 1 687 . 1 1 70 70 ILE HG12 H 1 1.67 0.01 . 2 . . . . . . . . 4572 1 688 . 1 1 70 70 ILE HG13 H 1 1.31 0.01 . 2 . . . . . . . . 4572 1 689 . 1 1 70 70 ILE HD11 H 1 0.86 0.01 . 1 . . . . . . . . 4572 1 690 . 1 1 70 70 ILE HD12 H 1 0.86 0.01 . 1 . . . . . . . . 4572 1 691 . 1 1 70 70 ILE HD13 H 1 0.86 0.01 . 1 . . . . . . . . 4572 1 692 . 1 1 70 70 ILE CD1 C 13 11.1 0.20 . 1 . . . . . . . . 4572 1 693 . 1 1 70 70 ILE C C 13 177.2 0.20 . 1 . . . . . . . . 4572 1 694 . 1 1 71 71 ARG N N 15 121.1 0.25 . 1 . . . . . . . . 4572 1 695 . 1 1 71 71 ARG H H 1 7.85 0.01 . 1 . . . . . . . . 4572 1 696 . 1 1 71 71 ARG CA C 13 55.0 0.20 . 1 . . . . . . . . 4572 1 697 . 1 1 71 71 ARG HA H 1 4.26 0.01 . 1 . . . . . . . . 4572 1 698 . 1 1 71 71 ARG CB C 13 28.8 0.20 . 1 . . . . . . . . 4572 1 699 . 1 1 71 71 ARG HB2 H 1 1.82 0.01 . 2 . . . . . . . . 4572 1 700 . 1 1 71 71 ARG HB3 H 1 1.74 0.01 . 2 . . . . . . . . 4572 1 701 . 1 1 71 71 ARG CG C 13 25.4 0.20 . 1 . . . . . . . . 4572 1 702 . 1 1 71 71 ARG HG2 H 1 1.58 0.01 . 1 . . . . . . . . 4572 1 703 . 1 1 71 71 ARG HG3 H 1 1.58 0.01 . 1 . . . . . . . . 4572 1 704 . 1 1 71 71 ARG CD C 13 41.4 0.20 . 1 . . . . . . . . 4572 1 705 . 1 1 71 71 ARG HD2 H 1 3.13 0.01 . 1 . . . . . . . . 4572 1 706 . 1 1 71 71 ARG HD3 H 1 3.13 0.01 . 1 . . . . . . . . 4572 1 707 . 1 1 71 71 ARG NE N 15 117.3 0.25 . 1 . . . . . . . . 4572 1 708 . 1 1 71 71 ARG HE H 1 7.19 0.01 . 1 . . . . . . . . 4572 1 709 . 1 1 71 71 ARG C C 13 176.7 0.20 . 1 . . . . . . . . 4572 1 710 . 1 1 72 72 TYR N N 15 120.9 0.25 . 1 . . . . . . . . 4572 1 711 . 1 1 72 72 TYR H H 1 8.08 0.01 . 1 . . . . . . . . 4572 1 712 . 1 1 72 72 TYR CA C 13 57.1 0.20 . 1 . . . . . . . . 4572 1 713 . 1 1 72 72 TYR HA H 1 4.50 0.01 . 1 . . . . . . . . 4572 1 714 . 1 1 72 72 TYR CB C 13 36.9 0.20 . 1 . . . . . . . . 4572 1 715 . 1 1 72 72 TYR HB2 H 1 3.11 0.01 . 2 . . . . . . . . 4572 1 716 . 1 1 72 72 TYR HB3 H 1 3.06 0.01 . 2 . . . . . . . . 4572 1 717 . 1 1 72 72 TYR HE1 H 1 6.93 0.01 . 1 . . . . . . . . 4572 1 718 . 1 1 72 72 TYR HE2 H 1 6.93 0.01 . 1 . . . . . . . . 4572 1 719 . 1 1 72 72 TYR HD1 H 1 7.26 0.01 . 1 . . . . . . . . 4572 1 720 . 1 1 72 72 TYR HD2 H 1 7.26 0.01 . 1 . . . . . . . . 4572 1 721 . 1 1 72 72 TYR C C 13 175.3 0.20 . 1 . . . . . . . . 4572 1 722 . 1 1 73 73 LYS N N 15 123.1 0.25 . 1 . . . . . . . . 4572 1 723 . 1 1 73 73 LYS H H 1 7.89 0.01 . 1 . . . . . . . . 4572 1 724 . 1 1 73 73 LYS CA C 13 54.3 0.20 . 1 . . . . . . . . 4572 1 725 . 1 1 73 73 LYS HA H 1 4.26 0.01 . 1 . . . . . . . . 4572 1 726 . 1 1 73 73 LYS CB C 13 31.4 0.20 . 1 . . . . . . . . 4572 1 727 . 1 1 73 73 LYS HB2 H 1 1.86 0.01 . 2 . . . . . . . . 4572 1 728 . 1 1 73 73 LYS HB3 H 1 1.79 0.01 . 2 . . . . . . . . 4572 1 729 . 1 1 73 73 LYS CG C 13 22.9 0.20 . 1 . . . . . . . . 4572 1 730 . 1 1 73 73 LYS HG2 H 1 1.41 0.01 . 1 . . . . . . . . 4572 1 731 . 1 1 73 73 LYS HG3 H 1 1.41 0.01 . 1 . . . . . . . . 4572 1 732 . 1 1 73 73 LYS CD C 13 27.4 0.20 . 1 . . . . . . . . 4572 1 733 . 1 1 73 73 LYS HD2 H 1 1.72 0.01 . 1 . . . . . . . . 4572 1 734 . 1 1 73 73 LYS HD3 H 1 1.72 0.01 . 1 . . . . . . . . 4572 1 735 . 1 1 73 73 LYS CE C 13 40.4 0.20 . 1 . . . . . . . . 4572 1 736 . 1 1 73 73 LYS HE2 H 1 3.06 0.01 . 1 . . . . . . . . 4572 1 737 . 1 1 73 73 LYS HE3 H 1 3.06 0.01 . 1 . . . . . . . . 4572 1 738 . 1 1 73 73 LYS C C 13 175.8 0.20 . 1 . . . . . . . . 4572 1 739 . 1 1 74 74 LYS N N 15 123.3 0.25 . 1 . . . . . . . . 4572 1 740 . 1 1 74 74 LYS H H 1 8.27 0.01 . 1 . . . . . . . . 4572 1 741 . 1 1 74 74 LYS CA C 13 54.7 0.20 . 1 . . . . . . . . 4572 1 742 . 1 1 74 74 LYS HA H 1 4.37 0.01 . 1 . . . . . . . . 4572 1 743 . 1 1 74 74 LYS CB C 13 31.3 0.20 . 1 . . . . . . . . 4572 1 744 . 1 1 74 74 LYS HB2 H 1 1.91 0.01 . 2 . . . . . . . . 4572 1 745 . 1 1 74 74 LYS CG C 13 22.9 0.20 . 1 . . . . . . . . 4572 1 746 . 1 1 74 74 LYS HG2 H 1 1.50 0.01 . 1 . . . . . . . . 4572 1 747 . 1 1 74 74 LYS HG3 H 1 1.50 0.01 . 1 . . . . . . . . 4572 1 748 . 1 1 74 74 LYS CD C 13 27.4 0.20 . 1 . . . . . . . . 4572 1 749 . 1 1 74 74 LYS HD2 H 1 1.75 0.01 . 1 . . . . . . . . 4572 1 750 . 1 1 74 74 LYS HD3 H 1 1.75 0.01 . 1 . . . . . . . . 4572 1 751 . 1 1 74 74 LYS CE C 13 40.4 0.20 . 1 . . . . . . . . 4572 1 752 . 1 1 74 74 LYS HE2 H 1 3.08 0.01 . 1 . . . . . . . . 4572 1 753 . 1 1 74 74 LYS HE3 H 1 3.08 0.01 . 1 . . . . . . . . 4572 1 754 . 1 1 74 74 LYS C C 13 175.5 0.20 . 1 . . . . . . . . 4572 1 755 . 1 1 75 75 ASN N N 15 125.3 0.25 . 1 . . . . . . . . 4572 1 756 . 1 1 75 75 ASN H H 1 8.06 0.01 . 1 . . . . . . . . 4572 1 757 . 1 1 75 75 ASN CA C 13 52.9 0.20 . 1 . . . . . . . . 4572 1 758 . 1 1 75 75 ASN HA H 1 4.50 0.01 . 1 . . . . . . . . 4572 1 759 . 1 1 75 75 ASN CB C 13 38.5 0.20 . 1 . . . . . . . . 4572 1 760 . 1 1 75 75 ASN HB2 H 1 2.80 0.01 . 2 . . . . . . . . 4572 1 761 . 1 1 75 75 ASN HB3 H 1 2.27 0.01 . 2 . . . . . . . . 4572 1 762 . 1 1 75 75 ASN ND2 N 15 112.3 0.25 . 1 . . . . . . . . 4572 1 763 . 1 1 75 75 ASN HD21 H 1 7.53 0.01 . 2 . . . . . . . . 4572 1 764 . 1 1 75 75 ASN HD22 H 1 6.88 0.01 . 2 . . . . . . . . 4572 1 stop_ save_