data_18301 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18301 _Entry.Title ; Metal binding repeat 2 of the Wilson disease protein (ATP7B) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2012-02-28 _Entry.Accession_date 2012-02-28 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'NMR, 20 STRUCTURES' _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 Sergiy Nokhrin . . . 18301 2 Nataliya Dolgova . V. . 18301 3 Corey Yu . . . 18301 4 Oleg Dmitriev . Y. . 18301 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 18301 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID ATP7B . 18301 'copper binding' . 18301 'Wilson disease' . 18301 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18301 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 281 18301 '15N chemical shifts' 69 18301 '1H chemical shifts' 413 18301 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2013-08-08 2012-02-28 update BMRB 'update entry citation' 18301 1 . . 2013-07-01 2012-02-28 original author 'original release' 18301 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2LQB 'BMRB Entry Tracking System' 18301 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 18301 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 23751120 _Citation.Full_citation . _Citation.Title 'Copper chaperone Atox1 interacts with the metal-binding domain of Wilson's disease protein in cisplatin detoxification.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biochem. J.' _Citation.Journal_name_full 'The Biochemical journal' _Citation.Journal_volume 454 _Citation.Journal_issue 1 _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 147 _Citation.Page_last 156 _Citation.Year 2013 _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 Nataliya Dolgova . V. . 18301 1 2 Sergiy Nokhrin . . . 18301 1 3 Corey Yu . H. . 18301 1 4 Graham George . N. . 18301 1 5 Oleg Dmitriev . Y. . 18301 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18301 _Assembly.ID 1 _Assembly.Name MBD2 _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 MBD2 1 $MBD2 A . yes native no no . . . 18301 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_MBD2 _Entity.Sf_category entity _Entity.Sf_framecode MBD2 _Entity.Entry_ID 18301 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name MBD2 _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 ; AGHMQEAVVKLRVEGMTCQS CVSSIEGKVRKLQGVVRVKV SLSNQEAVITYQPYLIQPED LRDHVNDMGFEAAIKS ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 76 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment 'Metal binding domain 2 of Wilson disease protein' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 8427.775 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2014-05-12 loop_ _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 no PDB 2LQB . "Metal Binding Repeat 2 Of The Wilson Disease Protein (atp7b)" . . . . . 100.00 76 100.00 100.00 1.29e-47 . . . . 18301 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 . ALA . 18301 1 2 . GLY . 18301 1 3 . HIS . 18301 1 4 . MET . 18301 1 5 . GLN . 18301 1 6 . GLU . 18301 1 7 . ALA . 18301 1 8 . VAL . 18301 1 9 . VAL . 18301 1 10 . LYS . 18301 1 11 . LEU . 18301 1 12 . ARG . 18301 1 13 . VAL . 18301 1 14 . GLU . 18301 1 15 . GLY . 18301 1 16 . MET . 18301 1 17 . THR . 18301 1 18 . CYS . 18301 1 19 . GLN . 18301 1 20 . SER . 18301 1 21 . CYS . 18301 1 22 . VAL . 18301 1 23 . SER . 18301 1 24 . SER . 18301 1 25 . ILE . 18301 1 26 . GLU . 18301 1 27 . GLY . 18301 1 28 . LYS . 18301 1 29 . VAL . 18301 1 30 . ARG . 18301 1 31 . LYS . 18301 1 32 . LEU . 18301 1 33 . GLN . 18301 1 34 . GLY . 18301 1 35 . VAL . 18301 1 36 . VAL . 18301 1 37 . ARG . 18301 1 38 . VAL . 18301 1 39 . LYS . 18301 1 40 . VAL . 18301 1 41 . SER . 18301 1 42 . LEU . 18301 1 43 . SER . 18301 1 44 . ASN . 18301 1 45 . GLN . 18301 1 46 . GLU . 18301 1 47 . ALA . 18301 1 48 . VAL . 18301 1 49 . ILE . 18301 1 50 . THR . 18301 1 51 . TYR . 18301 1 52 . GLN . 18301 1 53 . PRO . 18301 1 54 . TYR . 18301 1 55 . LEU . 18301 1 56 . ILE . 18301 1 57 . GLN . 18301 1 58 . PRO . 18301 1 59 . GLU . 18301 1 60 . ASP . 18301 1 61 . LEU . 18301 1 62 . ARG . 18301 1 63 . ASP . 18301 1 64 . HIS . 18301 1 65 . VAL . 18301 1 66 . ASN . 18301 1 67 . ASP . 18301 1 68 . MET . 18301 1 69 . GLY . 18301 1 70 . PHE . 18301 1 71 . GLU . 18301 1 72 . ALA . 18301 1 73 . ALA . 18301 1 74 . ILE . 18301 1 75 . LYS . 18301 1 76 . SER . 18301 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 . ALA 1 1 18301 1 . GLY 2 2 18301 1 . HIS 3 3 18301 1 . MET 4 4 18301 1 . GLN 5 5 18301 1 . GLU 6 6 18301 1 . ALA 7 7 18301 1 . VAL 8 8 18301 1 . VAL 9 9 18301 1 . LYS 10 10 18301 1 . LEU 11 11 18301 1 . ARG 12 12 18301 1 . VAL 13 13 18301 1 . GLU 14 14 18301 1 . GLY 15 15 18301 1 . MET 16 16 18301 1 . THR 17 17 18301 1 . CYS 18 18 18301 1 . GLN 19 19 18301 1 . SER 20 20 18301 1 . CYS 21 21 18301 1 . VAL 22 22 18301 1 . SER 23 23 18301 1 . SER 24 24 18301 1 . ILE 25 25 18301 1 . GLU 26 26 18301 1 . GLY 27 27 18301 1 . LYS 28 28 18301 1 . VAL 29 29 18301 1 . ARG 30 30 18301 1 . LYS 31 31 18301 1 . LEU 32 32 18301 1 . GLN 33 33 18301 1 . GLY 34 34 18301 1 . VAL 35 35 18301 1 . VAL 36 36 18301 1 . ARG 37 37 18301 1 . VAL 38 38 18301 1 . LYS 39 39 18301 1 . VAL 40 40 18301 1 . SER 41 41 18301 1 . LEU 42 42 18301 1 . SER 43 43 18301 1 . ASN 44 44 18301 1 . GLN 45 45 18301 1 . GLU 46 46 18301 1 . ALA 47 47 18301 1 . VAL 48 48 18301 1 . ILE 49 49 18301 1 . THR 50 50 18301 1 . TYR 51 51 18301 1 . GLN 52 52 18301 1 . PRO 53 53 18301 1 . TYR 54 54 18301 1 . LEU 55 55 18301 1 . ILE 56 56 18301 1 . GLN 57 57 18301 1 . PRO 58 58 18301 1 . GLU 59 59 18301 1 . ASP 60 60 18301 1 . LEU 61 61 18301 1 . ARG 62 62 18301 1 . ASP 63 63 18301 1 . HIS 64 64 18301 1 . VAL 65 65 18301 1 . ASN 66 66 18301 1 . ASP 67 67 18301 1 . MET 68 68 18301 1 . GLY 69 69 18301 1 . PHE 70 70 18301 1 . GLU 71 71 18301 1 . ALA 72 72 18301 1 . ALA 73 73 18301 1 . ILE 74 74 18301 1 . LYS 75 75 18301 1 . SER 76 76 18301 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 18301 _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 $MBD2 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 18301 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 18301 _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 $MBD2 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) . . . . . . . . . . . . . . . pTYB12 . . . 'Expressed as fusion with chitin binding domain and intein for affinity chromatography purification' . . 18301 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 18301 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 Tris-Cl [U-2H] . . . . . . 50 . . mM . . . . 18301 1 2 DSS 'natural abundance' . . . . . . 0.5 . . mM . . . . 18301 1 3 'sodium azide' 'natural abundance' . . . . . . 0.05 . . mM . . . . 18301 1 4 D2O [U-2H] . . . . . . 5 . . % . . . . 18301 1 5 'TCEP (tris(2-carboxyethyl)phosphine)' 'natural abundance' . . . . . . 5 . . mM . . . . 18301 1 6 H2O [U-2H] . . . . . . 95 . . % . . . . 18301 1 7 MBD2 [U-2H] . . 1 $MBD2 . . 0.9 . . mM . . . . 18301 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 18301 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 50 . mM 18301 1 pH 7.4 . pH 18301 1 pressure 1 . atm 18301 1 temperature 293 . K 18301 1 stop_ save_ ############################ # Computer software used # ############################ save_CYANA_3.0 _Software.Sf_category software _Software.Sf_framecode CYANA_3.0 _Software.Entry_ID 18301 _Software.ID 1 _Software.Name CYANA_3.0 _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 18301 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 18301 1 stop_ save_ save_AutoAssign _Software.Sf_category software _Software.Sf_framecode AutoAssign _Software.Entry_ID 18301 _Software.ID 2 _Software.Name AutoAssign _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Zimmerman, Moseley, Kulikowski and Montelione' . . 18301 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 18301 2 stop_ save_ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 18301 _Software.ID 3 _Software.Name CARA _Software.Version 1.9.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'F. Damberger, R. Keller' . . 18301 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 18301 3 stop_ save_ save_Felix _Software.Sf_category software _Software.Sf_framecode Felix _Software.Entry_ID 18301 _Software.ID 4 _Software.Name FELIX _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Accelrys Software Inc.' . . 18301 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'peak picking' 18301 4 processing 18301 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 18301 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 18301 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 600 . . . 18301 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 18301 _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 $spectrometer_1 . . . . . . . . . . . . . . . . 18301 1 2 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . . . . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18301 1 3 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . . . . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18301 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . . . . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18301 1 5 '3D HN(CO)CACB' no . . . . . . . . . . 1 $sample_1 isotropic . . . . . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18301 1 6 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . . . . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18301 1 7 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . . . . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18301 1 8 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . . . . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18301 1 9 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . . . . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18301 1 10 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . . . . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18301 1 11 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . . . . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18301 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 18301 _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 C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 18301 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 18301 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 18301 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 18301 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.03 _Assigned_chem_shift_list.Chem_shift_13C_err 0.3 _Assigned_chem_shift_list.Chem_shift_15N_err 0.3 _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' . . . 18301 1 2 '3D HNCO' . . . 18301 1 3 '3D HNCA' . . . 18301 1 4 '3D HNCACB' . . . 18301 1 5 '3D HN(CO)CACB' . . . 18301 1 6 '3D C(CO)NH' . . . 18301 1 7 '3D H(CCO)NH' . . . 18301 1 8 '3D 1H-15N TOCSY' . . . 18301 1 11 '3D HN(CA)CO' . . . 18301 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 4 4 MET H H 1 8.363 0.030 . 1 . . . A 4 MET H . 18301 1 2 . 1 1 4 4 MET HA H 1 4.302 0.030 . 1 . . . A 4 MET HA . 18301 1 3 . 1 1 4 4 MET HB2 H 1 2.071 0.030 . 2 . . . A 4 MET HB2 . 18301 1 4 . 1 1 4 4 MET HB3 H 1 1.823 0.030 . 2 . . . A 4 MET HB3 . 18301 1 5 . 1 1 4 4 MET HG2 H 1 2.537 0.030 . 2 . . . A 4 MET HG2 . 18301 1 6 . 1 1 4 4 MET HG3 H 1 2.448 0.030 . 2 . . . A 4 MET HG3 . 18301 1 7 . 1 1 4 4 MET C C 13 175.828 0.300 . 1 . . . A 4 MET C . 18301 1 8 . 1 1 4 4 MET CA C 13 56.414 0.300 . 1 . . . A 4 MET CA . 18301 1 9 . 1 1 4 4 MET CB C 13 32.361 0.300 . 1 . . . A 4 MET CB . 18301 1 10 . 1 1 4 4 MET CG C 13 31.915 0.300 . 1 . . . A 4 MET CG . 18301 1 11 . 1 1 4 4 MET N N 15 121.245 0.300 . 1 . . . A 4 MET N . 18301 1 12 . 1 1 5 5 GLN H H 1 8.266 0.030 . 1 . . . A 5 GLN H . 18301 1 13 . 1 1 5 5 GLN HA H 1 4.250 0.030 . 1 . . . A 5 GLN HA . 18301 1 14 . 1 1 5 5 GLN C C 13 175.245 0.300 . 1 . . . A 5 GLN C . 18301 1 15 . 1 1 5 5 GLN CA C 13 56.500 0.300 . 1 . . . A 5 GLN CA . 18301 1 16 . 1 1 5 5 GLN CB C 13 29.319 0.300 . 1 . . . A 5 GLN CB . 18301 1 17 . 1 1 5 5 GLN CG C 13 33.729 0.300 . 1 . . . A 5 GLN CG . 18301 1 18 . 1 1 5 5 GLN N N 15 121.670 0.300 . 1 . . . A 5 GLN N . 18301 1 19 . 1 1 6 6 GLU H H 1 8.238 0.030 . 1 . . . A 6 GLU H . 18301 1 20 . 1 1 6 6 GLU HA H 1 4.777 0.030 . 1 . . . A 6 GLU HA . 18301 1 21 . 1 1 6 6 GLU HB2 H 1 1.742 0.030 . 2 . . . A 6 GLU HB2 . 18301 1 22 . 1 1 6 6 GLU HB3 H 1 1.742 0.030 . 2 . . . A 6 GLU HB3 . 18301 1 23 . 1 1 6 6 GLU HG2 H 1 2.200 0.030 . 2 . . . A 6 GLU HG2 . 18301 1 24 . 1 1 6 6 GLU HG3 H 1 1.995 0.030 . 2 . . . A 6 GLU HG3 . 18301 1 25 . 1 1 6 6 GLU C C 13 174.619 0.300 . 1 . . . A 6 GLU C . 18301 1 26 . 1 1 6 6 GLU CA C 13 55.039 0.300 . 1 . . . A 6 GLU CA . 18301 1 27 . 1 1 6 6 GLU CB C 13 32.664 0.300 . 1 . . . A 6 GLU CB . 18301 1 28 . 1 1 6 6 GLU CG C 13 36.450 0.300 . 1 . . . A 6 GLU CG . 18301 1 29 . 1 1 6 6 GLU N N 15 120.500 0.300 . 1 . . . A 6 GLU N . 18301 1 30 . 1 1 7 7 ALA H H 1 8.838 0.030 . 1 . . . A 7 ALA H . 18301 1 31 . 1 1 7 7 ALA HA H 1 4.562 0.030 . 1 . . . A 7 ALA HA . 18301 1 32 . 1 1 7 7 ALA HB1 H 1 0.868 0.030 . 1 . . . A 7 ALA HB1 . 18301 1 33 . 1 1 7 7 ALA HB2 H 1 0.868 0.030 . 1 . . . A 7 ALA HB2 . 18301 1 34 . 1 1 7 7 ALA HB3 H 1 0.868 0.030 . 1 . . . A 7 ALA HB3 . 18301 1 35 . 1 1 7 7 ALA C C 13 173.633 0.300 . 1 . . . A 7 ALA C . 18301 1 36 . 1 1 7 7 ALA CA C 13 50.270 0.300 . 1 . . . A 7 ALA CA . 18301 1 37 . 1 1 7 7 ALA CB C 13 22.412 0.300 . 1 . . . A 7 ALA CB . 18301 1 38 . 1 1 7 7 ALA N N 15 125.790 0.300 . 1 . . . A 7 ALA N . 18301 1 39 . 1 1 8 8 VAL H H 1 8.340 0.030 . 1 . . . A 8 VAL H . 18301 1 40 . 1 1 8 8 VAL HA H 1 5.366 0.030 . 1 . . . A 8 VAL HA . 18301 1 41 . 1 1 8 8 VAL HB H 1 1.800 0.030 . 1 . . . A 8 VAL HB . 18301 1 42 . 1 1 8 8 VAL HG11 H 1 0.912 0.020 . 2 . . . A 8 VAL HG11 . 18301 1 43 . 1 1 8 8 VAL HG12 H 1 0.912 0.020 . 2 . . . A 8 VAL HG12 . 18301 1 44 . 1 1 8 8 VAL HG13 H 1 0.912 0.020 . 2 . . . A 8 VAL HG13 . 18301 1 45 . 1 1 8 8 VAL HG21 H 1 0.780 0.020 . 2 . . . A 8 VAL HG21 . 18301 1 46 . 1 1 8 8 VAL HG22 H 1 0.780 0.020 . 2 . . . A 8 VAL HG22 . 18301 1 47 . 1 1 8 8 VAL HG23 H 1 0.780 0.020 . 2 . . . A 8 VAL HG23 . 18301 1 48 . 1 1 8 8 VAL C C 13 176.717 0.300 . 1 . . . A 8 VAL C . 18301 1 49 . 1 1 8 8 VAL CA C 13 60.582 0.400 . 1 . . . A 8 VAL CA . 18301 1 50 . 1 1 8 8 VAL CB C 13 34.923 0.300 . 1 . . . A 8 VAL CB . 18301 1 51 . 1 1 8 8 VAL CG1 C 13 21.657 0.300 . 2 . . . A 8 VAL CG1 . 18301 1 52 . 1 1 8 8 VAL CG2 C 13 21.308 0.300 . 2 . . . A 8 VAL CG2 . 18301 1 53 . 1 1 8 8 VAL N N 15 117.770 0.300 . 1 . . . A 8 VAL N . 18301 1 54 . 1 1 9 9 VAL H H 1 9.560 0.030 . 1 . . . A 9 VAL H . 18301 1 55 . 1 1 9 9 VAL HA H 1 4.825 0.020 . 1 . . . A 9 VAL HA . 18301 1 56 . 1 1 9 9 VAL HG11 H 1 1.059 0.030 . 2 . . . A 9 VAL HG11 . 18301 1 57 . 1 1 9 9 VAL HG12 H 1 1.059 0.030 . 2 . . . A 9 VAL HG12 . 18301 1 58 . 1 1 9 9 VAL HG13 H 1 1.059 0.030 . 2 . . . A 9 VAL HG13 . 18301 1 59 . 1 1 9 9 VAL HG21 H 1 0.737 0.030 . 2 . . . A 9 VAL HG21 . 18301 1 60 . 1 1 9 9 VAL HG22 H 1 0.737 0.030 . 2 . . . A 9 VAL HG22 . 18301 1 61 . 1 1 9 9 VAL HG23 H 1 0.737 0.030 . 2 . . . A 9 VAL HG23 . 18301 1 62 . 1 1 9 9 VAL C C 13 170.910 0.300 . 1 . . . A 9 VAL C . 18301 1 63 . 1 1 9 9 VAL CA C 13 59.121 0.200 . 1 . . . A 9 VAL CA . 18301 1 64 . 1 1 9 9 VAL CB C 13 34.879 0.300 . 1 . . . A 9 VAL CB . 18301 1 65 . 1 1 9 9 VAL CG1 C 13 23.332 0.300 . 2 . . . A 9 VAL CG1 . 18301 1 66 . 1 1 9 9 VAL CG2 C 13 20.541 0.300 . 2 . . . A 9 VAL CG2 . 18301 1 67 . 1 1 9 9 VAL N N 15 128.140 0.300 . 1 . . . A 9 VAL N . 18301 1 68 . 1 1 10 10 LYS H H 1 8.821 0.030 . 1 . . . A 10 LYS H . 18301 1 69 . 1 1 10 10 LYS HA H 1 5.396 0.030 . 1 . . . A 10 LYS HA . 18301 1 70 . 1 1 10 10 LYS HB2 H 1 1.830 0.030 . 2 . . . A 10 LYS HB2 . 18301 1 71 . 1 1 10 10 LYS HB3 H 1 1.490 0.030 . 2 . . . A 10 LYS HB3 . 18301 1 72 . 1 1 10 10 LYS HG3 H 1 1.230 0.030 . 2 . . . A 10 LYS HG3 . 18301 1 73 . 1 1 10 10 LYS HD2 H 1 1.630 0.030 . 2 . . . A 10 LYS HD2 . 18301 1 74 . 1 1 10 10 LYS HD3 H 1 1.630 0.030 . 2 . . . A 10 LYS HD3 . 18301 1 75 . 1 1 10 10 LYS C C 13 175.078 0.300 . 1 . . . A 10 LYS C . 18301 1 76 . 1 1 10 10 LYS CA C 13 54.395 0.300 . 1 . . . A 10 LYS CA . 18301 1 77 . 1 1 10 10 LYS CB C 13 34.184 0.300 . 1 . . . A 10 LYS CB . 18301 1 78 . 1 1 10 10 LYS CG C 13 25.774 0.300 . 1 . . . A 10 LYS CG . 18301 1 79 . 1 1 10 10 LYS CD C 13 29.403 0.300 . 1 . . . A 10 LYS CD . 18301 1 80 . 1 1 10 10 LYS CE C 13 41.614 0.300 . 1 . . . A 10 LYS CE . 18301 1 81 . 1 1 10 10 LYS N N 15 126.441 0.300 . 1 . . . A 10 LYS N . 18301 1 82 . 1 1 11 11 LEU H H 1 9.277 0.030 . 1 . . . A 11 LEU H . 18301 1 83 . 1 1 11 11 LEU HA H 1 5.371 0.030 . 1 . . . A 11 LEU HA . 18301 1 84 . 1 1 11 11 LEU HB2 H 1 1.530 0.030 . 2 . . . A 11 LEU HB2 . 18301 1 85 . 1 1 11 11 LEU HB3 H 1 1.225 0.030 . 2 . . . A 11 LEU HB3 . 18301 1 86 . 1 1 11 11 LEU HG H 1 1.510 0.030 . 1 . . . A 11 LEU HG . 18301 1 87 . 1 1 11 11 LEU HD11 H 1 0.608 0.030 . 2 . . . A 11 LEU HD11 . 18301 1 88 . 1 1 11 11 LEU HD12 H 1 0.608 0.030 . 2 . . . A 11 LEU HD12 . 18301 1 89 . 1 1 11 11 LEU HD13 H 1 0.608 0.030 . 2 . . . A 11 LEU HD13 . 18301 1 90 . 1 1 11 11 LEU HD21 H 1 0.560 0.030 . 2 . . . A 11 LEU HD21 . 18301 1 91 . 1 1 11 11 LEU HD22 H 1 0.560 0.030 . 2 . . . A 11 LEU HD22 . 18301 1 92 . 1 1 11 11 LEU HD23 H 1 0.560 0.030 . 2 . . . A 11 LEU HD23 . 18301 1 93 . 1 1 11 11 LEU C C 13 177.801 0.300 . 1 . . . A 11 LEU C . 18301 1 94 . 1 1 11 11 LEU CA C 13 51.903 0.300 . 1 . . . A 11 LEU CA . 18301 1 95 . 1 1 11 11 LEU CB C 13 43.914 0.300 . 1 . . . A 11 LEU CB . 18301 1 96 . 1 1 11 11 LEU CD1 C 13 24.100 0.400 . 2 . . . A 11 LEU CD1 . 18301 1 97 . 1 1 11 11 LEU CD2 C 13 25.999 0.400 . 2 . . . A 11 LEU CD2 . 18301 1 98 . 1 1 11 11 LEU N N 15 119.930 0.300 . 1 . . . A 11 LEU N . 18301 1 99 . 1 1 12 12 ARG H H 1 9.300 0.030 . 1 . . . A 12 ARG H . 18301 1 100 . 1 1 12 12 ARG HA H 1 4.904 0.030 . 1 . . . A 12 ARG HA . 18301 1 101 . 1 1 12 12 ARG HB2 H 1 1.697 0.030 . 2 . . . A 12 ARG HB2 . 18301 1 102 . 1 1 12 12 ARG HB3 H 1 1.833 0.030 . 2 . . . A 12 ARG HB3 . 18301 1 103 . 1 1 12 12 ARG HG2 H 1 1.550 0.030 . 2 . . . A 12 ARG HG2 . 18301 1 104 . 1 1 12 12 ARG HG3 H 1 1.451 0.030 . 2 . . . A 12 ARG HG3 . 18301 1 105 . 1 1 12 12 ARG HD2 H 1 3.220 0.040 . 2 . . . A 12 ARG HD2 . 18301 1 106 . 1 1 12 12 ARG HD3 H 1 3.220 0.040 . 2 . . . A 12 ARG HD3 . 18301 1 107 . 1 1 12 12 ARG C C 13 175.773 0.300 . 1 . . . A 12 ARG C . 18301 1 108 . 1 1 12 12 ARG CA C 13 55.641 0.300 . 1 . . . A 12 ARG CA . 18301 1 109 . 1 1 12 12 ARG CB C 13 31.013 0.300 . 1 . . . A 12 ARG CB . 18301 1 110 . 1 1 12 12 ARG CG C 13 28.007 0.300 . 1 . . . A 12 ARG CG . 18301 1 111 . 1 1 12 12 ARG CD C 13 43.149 0.300 . 1 . . . A 12 ARG CD . 18301 1 112 . 1 1 12 12 ARG N N 15 125.200 0.300 . 1 . . . A 12 ARG N . 18301 1 113 . 1 1 13 13 VAL H H 1 8.110 0.030 . 1 . . . A 13 VAL H . 18301 1 114 . 1 1 13 13 VAL HA H 1 4.511 0.030 . 1 . . . A 13 VAL HA . 18301 1 115 . 1 1 13 13 VAL HB H 1 1.588 0.030 . 1 . . . A 13 VAL HB . 18301 1 116 . 1 1 13 13 VAL HG11 H 1 0.570 0.030 . 2 . . . A 13 VAL HG11 . 18301 1 117 . 1 1 13 13 VAL HG12 H 1 0.570 0.030 . 2 . . . A 13 VAL HG12 . 18301 1 118 . 1 1 13 13 VAL HG13 H 1 0.570 0.030 . 2 . . . A 13 VAL HG13 . 18301 1 119 . 1 1 13 13 VAL HG21 H 1 0.680 0.030 . 2 . . . A 13 VAL HG21 . 18301 1 120 . 1 1 13 13 VAL HG22 H 1 0.680 0.030 . 2 . . . A 13 VAL HG22 . 18301 1 121 . 1 1 13 13 VAL HG23 H 1 0.680 0.030 . 2 . . . A 13 VAL HG23 . 18301 1 122 . 1 1 13 13 VAL C C 13 174.564 0.300 . 1 . . . A 13 VAL C . 18301 1 123 . 1 1 13 13 VAL CA C 13 61.785 0.300 . 1 . . . A 13 VAL CA . 18301 1 124 . 1 1 13 13 VAL CB C 13 33.706 0.300 . 1 . . . A 13 VAL CB . 18301 1 125 . 1 1 13 13 VAL CG1 C 13 22.006 0.300 . 2 . . . A 13 VAL CG1 . 18301 1 126 . 1 1 13 13 VAL CG2 C 13 21.448 0.400 . 2 . . . A 13 VAL CG2 . 18301 1 127 . 1 1 13 13 VAL N N 15 126.780 0.300 . 1 . . . A 13 VAL N . 18301 1 128 . 1 1 14 14 GLU H H 1 9.100 0.030 . 1 . . . A 14 GLU H . 18301 1 129 . 1 1 14 14 GLU HA H 1 4.665 0.030 . 1 . . . A 14 GLU HA . 18301 1 130 . 1 1 14 14 GLU HB2 H 1 2.202 0.030 . 2 . . . A 14 GLU HB2 . 18301 1 131 . 1 1 14 14 GLU HB3 H 1 2.027 0.030 . 2 . . . A 14 GLU HB3 . 18301 1 132 . 1 1 14 14 GLU HG2 H 1 2.264 0.030 . 2 . . . A 14 GLU HG2 . 18301 1 133 . 1 1 14 14 GLU HG3 H 1 2.264 0.030 . 2 . . . A 14 GLU HG3 . 18301 1 134 . 1 1 14 14 GLU C C 13 176.426 0.300 . 1 . . . A 14 GLU C . 18301 1 135 . 1 1 14 14 GLU CA C 13 55.383 0.300 . 1 . . . A 14 GLU CA . 18301 1 136 . 1 1 14 14 GLU CB C 13 31.621 0.300 . 1 . . . A 14 GLU CB . 18301 1 137 . 1 1 14 14 GLU CG C 13 36.450 0.300 . 1 . . . A 14 GLU CG . 18301 1 138 . 1 1 14 14 GLU N N 15 126.510 0.300 . 1 . . . A 14 GLU N . 18301 1 139 . 1 1 15 15 GLY H H 1 8.680 0.030 . 1 . . . A 15 GLY H . 18301 1 140 . 1 1 15 15 GLY HA2 H 1 4.760 0.030 . 2 . . . A 15 GLY HA2 . 18301 1 141 . 1 1 15 15 GLY HA3 H 1 3.756 0.030 . 2 . . . A 15 GLY HA3 . 18301 1 142 . 1 1 15 15 GLY C C 13 175.884 0.300 . 1 . . . A 15 GLY C . 18301 1 143 . 1 1 15 15 GLY CA C 13 44.900 0.300 . 1 . . . A 15 GLY CA . 18301 1 144 . 1 1 15 15 GLY N N 15 108.020 0.300 . 1 . . . A 15 GLY N . 18301 1 145 . 1 1 16 16 MET H H 1 9.033 0.030 . 1 . . . A 16 MET H . 18301 1 146 . 1 1 16 16 MET HA H 1 4.880 0.040 . 1 . . . A 16 MET HA . 18301 1 147 . 1 1 16 16 MET C C 13 177.342 0.300 . 1 . . . A 16 MET C . 18301 1 148 . 1 1 16 16 MET CA C 13 56.672 0.400 . 1 . . . A 16 MET CA . 18301 1 149 . 1 1 16 16 MET N N 15 120.590 0.300 . 1 . . . A 16 MET N . 18301 1 150 . 1 1 17 17 THR H H 1 8.591 0.030 . 1 . . . A 17 THR H . 18301 1 151 . 1 1 17 17 THR C C 13 176.231 0.300 . 1 . . . A 17 THR C . 18301 1 152 . 1 1 17 17 THR CA C 13 57.114 0.300 . 1 . . . A 17 THR CA . 18301 1 153 . 1 1 17 17 THR N N 15 123.321 0.300 . 1 . . . A 17 THR N . 18301 1 154 . 1 1 18 18 CYS H H 1 8.809 0.030 . 1 . . . A 18 CYS H . 18301 1 155 . 1 1 18 18 CYS HA H 1 5.060 0.030 . 1 . . . A 18 CYS HA . 18301 1 156 . 1 1 18 18 CYS C C 13 174.467 0.300 . 1 . . . A 18 CYS C . 18301 1 157 . 1 1 18 18 CYS CA C 13 57.500 0.300 . 1 . . . A 18 CYS CA . 18301 1 158 . 1 1 18 18 CYS CB C 13 30.996 0.300 . 1 . . . A 18 CYS CB . 18301 1 159 . 1 1 18 18 CYS N N 15 120.560 0.300 . 1 . . . A 18 CYS N . 18301 1 160 . 1 1 20 20 SER H H 1 8.297 0.030 . 1 . . . A 20 SER H . 18301 1 161 . 1 1 20 20 SER HA H 1 4.461 0.030 . 1 . . . A 20 SER HA . 18301 1 162 . 1 1 20 20 SER C C 13 177.009 0.300 . 1 . . . A 20 SER C . 18301 1 163 . 1 1 20 20 SER CA C 13 62.214 0.300 . 1 . . . A 20 SER CA . 18301 1 164 . 1 1 20 20 SER N N 15 123.434 0.300 . 1 . . . A 20 SER N . 18301 1 165 . 1 1 21 21 CYS H H 1 7.861 0.030 . 1 . . . A 21 CYS H . 18301 1 166 . 1 1 21 21 CYS HA H 1 4.060 0.030 . 1 . . . A 21 CYS HA . 18301 1 167 . 1 1 21 21 CYS HB2 H 1 3.290 0.030 . 2 . . . A 21 CYS HB2 . 18301 1 168 . 1 1 21 21 CYS HB3 H 1 2.940 0.030 . 2 . . . A 21 CYS HB3 . 18301 1 169 . 1 1 21 21 CYS C C 13 177.495 0.300 . 1 . . . A 21 CYS C . 18301 1 170 . 1 1 21 21 CYS CA C 13 63.546 0.300 . 1 . . . A 21 CYS CA . 18301 1 171 . 1 1 21 21 CYS CB C 13 28.800 0.300 . 1 . . . A 21 CYS CB . 18301 1 172 . 1 1 21 21 CYS N N 15 125.740 0.300 . 1 . . . A 21 CYS N . 18301 1 173 . 1 1 22 22 VAL H H 1 6.860 0.030 . 1 . . . A 22 VAL H . 18301 1 174 . 1 1 22 22 VAL HA H 1 3.210 0.030 . 1 . . . A 22 VAL HA . 18301 1 175 . 1 1 22 22 VAL HB H 1 2.425 0.030 . 1 . . . A 22 VAL HB . 18301 1 176 . 1 1 22 22 VAL HG11 H 1 0.879 0.030 . 2 . . . A 22 VAL HG11 . 18301 1 177 . 1 1 22 22 VAL HG12 H 1 0.879 0.030 . 2 . . . A 22 VAL HG12 . 18301 1 178 . 1 1 22 22 VAL HG13 H 1 0.879 0.030 . 2 . . . A 22 VAL HG13 . 18301 1 179 . 1 1 22 22 VAL HG21 H 1 0.998 0.030 . 2 . . . A 22 VAL HG21 . 18301 1 180 . 1 1 22 22 VAL HG22 H 1 0.998 0.030 . 2 . . . A 22 VAL HG22 . 18301 1 181 . 1 1 22 22 VAL HG23 H 1 0.998 0.030 . 2 . . . A 22 VAL HG23 . 18301 1 182 . 1 1 22 22 VAL C C 13 177.843 0.300 . 1 . . . A 22 VAL C . 18301 1 183 . 1 1 22 22 VAL CA C 13 66.425 0.300 . 1 . . . A 22 VAL CA . 18301 1 184 . 1 1 22 22 VAL CB C 13 31.534 0.300 . 1 . . . A 22 VAL CB . 18301 1 185 . 1 1 22 22 VAL CG1 C 13 21.239 0.300 . 2 . . . A 22 VAL CG1 . 18301 1 186 . 1 1 22 22 VAL CG2 C 13 23.402 0.300 . 2 . . . A 22 VAL CG2 . 18301 1 187 . 1 1 22 22 VAL N N 15 118.130 0.300 . 1 . . . A 22 VAL N . 18301 1 188 . 1 1 23 23 SER H H 1 8.341 0.030 . 1 . . . A 23 SER H . 18301 1 189 . 1 1 23 23 SER HA H 1 4.220 0.030 . 1 . . . A 23 SER HA . 18301 1 190 . 1 1 23 23 SER HB2 H 1 4.080 0.040 . 2 . . . A 23 SER HB2 . 18301 1 191 . 1 1 23 23 SER HB3 H 1 3.985 0.040 . 2 . . . A 23 SER HB3 . 18301 1 192 . 1 1 23 23 SER C C 13 178.162 0.300 . 1 . . . A 23 SER C . 18301 1 193 . 1 1 23 23 SER CA C 13 61.398 0.300 . 1 . . . A 23 SER CA . 18301 1 194 . 1 1 23 23 SER CB C 13 62.550 0.300 . 1 . . . A 23 SER CB . 18301 1 195 . 1 1 23 23 SER N N 15 112.820 0.300 . 1 . . . A 23 SER N . 18301 1 196 . 1 1 24 24 SER H H 1 8.286 0.030 . 1 . . . A 24 SER H . 18301 1 197 . 1 1 24 24 SER HA H 1 4.859 0.030 . 1 . . . A 24 SER HA . 18301 1 198 . 1 1 24 24 SER HB2 H 1 4.307 0.040 . 2 . . . A 24 SER HB2 . 18301 1 199 . 1 1 24 24 SER C C 13 176.856 0.300 . 1 . . . A 24 SER C . 18301 1 200 . 1 1 24 24 SER CA C 13 61.570 0.400 . 1 . . . A 24 SER CA . 18301 1 201 . 1 1 24 24 SER CB C 13 62.506 0.400 . 1 . . . A 24 SER CB . 18301 1 202 . 1 1 24 24 SER N N 15 119.341 0.300 . 1 . . . A 24 SER N . 18301 1 203 . 1 1 25 25 ILE H H 1 8.057 0.030 . 1 . . . A 25 ILE H . 18301 1 204 . 1 1 25 25 ILE HA H 1 3.592 0.040 . 1 . . . A 25 ILE HA . 18301 1 205 . 1 1 25 25 ILE HB H 1 1.576 0.040 . 1 . . . A 25 ILE HB . 18301 1 206 . 1 1 25 25 ILE HG21 H 1 0.608 0.040 . 1 . . . A 25 ILE HG21 . 18301 1 207 . 1 1 25 25 ILE HG22 H 1 0.608 0.040 . 1 . . . A 25 ILE HG22 . 18301 1 208 . 1 1 25 25 ILE HG23 H 1 0.608 0.040 . 1 . . . A 25 ILE HG23 . 18301 1 209 . 1 1 25 25 ILE HD11 H 1 -0.126 0.040 . 1 . . . A 25 ILE HD11 . 18301 1 210 . 1 1 25 25 ILE HD12 H 1 -0.126 0.040 . 1 . . . A 25 ILE HD12 . 18301 1 211 . 1 1 25 25 ILE HD13 H 1 -0.126 0.040 . 1 . . . A 25 ILE HD13 . 18301 1 212 . 1 1 25 25 ILE C C 13 177.912 0.300 . 1 . . . A 25 ILE C . 18301 1 213 . 1 1 25 25 ILE CA C 13 66.038 0.300 . 1 . . . A 25 ILE CA . 18301 1 214 . 1 1 25 25 ILE CB C 13 38.485 0.400 . 1 . . . A 25 ILE CB . 18301 1 215 . 1 1 25 25 ILE CG1 C 13 29.472 0.400 . 1 . . . A 25 ILE CG1 . 18301 1 216 . 1 1 25 25 ILE CG2 C 13 17.331 0.400 . 1 . . . A 25 ILE CG2 . 18301 1 217 . 1 1 25 25 ILE CD1 C 13 13.982 0.400 . 1 . . . A 25 ILE CD1 . 18301 1 218 . 1 1 25 25 ILE N N 15 122.340 0.300 . 1 . . . A 25 ILE N . 18301 1 219 . 1 1 26 26 GLU H H 1 8.504 0.030 . 1 . . . A 26 GLU H . 18301 1 220 . 1 1 26 26 GLU HA H 1 3.555 0.040 . 1 . . . A 26 GLU HA . 18301 1 221 . 1 1 26 26 GLU HB2 H 1 2.079 0.040 . 2 . . . A 26 GLU HB2 . 18301 1 222 . 1 1 26 26 GLU HB3 H 1 1.891 0.040 . 2 . . . A 26 GLU HB3 . 18301 1 223 . 1 1 26 26 GLU HG2 H 1 2.590 0.040 . 2 . . . A 26 GLU HG2 . 18301 1 224 . 1 1 26 26 GLU HG3 H 1 2.590 0.040 . 2 . . . A 26 GLU HG3 . 18301 1 225 . 1 1 26 26 GLU C C 13 178.523 0.300 . 1 . . . A 26 GLU C . 18301 1 226 . 1 1 26 26 GLU CA C 13 60.625 0.400 . 1 . . . A 26 GLU CA . 18301 1 227 . 1 1 26 26 GLU CB C 13 29.821 0.400 . 1 . . . A 26 GLU CB . 18301 1 228 . 1 1 26 26 GLU CG C 13 38.055 0.400 . 1 . . . A 26 GLU CG . 18301 1 229 . 1 1 26 26 GLU N N 15 117.081 0.300 . 1 . . . A 26 GLU N . 18301 1 230 . 1 1 27 27 GLY H H 1 8.231 0.030 . 1 . . . A 27 GLY H . 18301 1 231 . 1 1 27 27 GLY HA2 H 1 3.730 0.040 . 2 . . . A 27 GLY HA2 . 18301 1 232 . 1 1 27 27 GLY HA3 H 1 3.892 0.040 . 2 . . . A 27 GLY HA3 . 18301 1 233 . 1 1 27 27 GLY C C 13 175.925 0.300 . 1 . . . A 27 GLY C . 18301 1 234 . 1 1 27 27 GLY CA C 13 46.833 0.400 . 1 . . . A 27 GLY CA . 18301 1 235 . 1 1 27 27 GLY N N 15 102.731 0.300 . 1 . . . A 27 GLY N . 18301 1 236 . 1 1 28 28 LYS H H 1 7.640 0.030 . 1 . . . A 28 LYS H . 18301 1 237 . 1 1 28 28 LYS HA H 1 4.110 0.040 . 1 . . . A 28 LYS HA . 18301 1 238 . 1 1 28 28 LYS HB2 H 1 2.008 0.040 . 2 . . . A 28 LYS HB2 . 18301 1 239 . 1 1 28 28 LYS HB3 H 1 1.961 0.040 . 2 . . . A 28 LYS HB3 . 18301 1 240 . 1 1 28 28 LYS HG2 H 1 1.585 0.040 . 2 . . . A 28 LYS HG2 . 18301 1 241 . 1 1 28 28 LYS HG3 H 1 1.455 0.040 . 2 . . . A 28 LYS HG3 . 18301 1 242 . 1 1 28 28 LYS CA C 13 59.029 0.400 . 1 . . . A 28 LYS CA . 18301 1 243 . 1 1 28 28 LYS CB C 13 32.916 0.400 . 1 . . . A 28 LYS CB . 18301 1 244 . 1 1 28 28 LYS CG C 13 25.950 0.400 . 1 . . . A 28 LYS CG . 18301 1 245 . 1 1 28 28 LYS N N 15 119.316 0.300 . 1 . . . A 28 LYS N . 18301 1 246 . 1 1 29 29 VAL H H 1 8.577 0.030 . 1 . . . A 29 VAL H . 18301 1 247 . 1 1 29 29 VAL HA H 1 3.450 0.040 . 1 . . . A 29 VAL HA . 18301 1 248 . 1 1 29 29 VAL HB H 1 1.995 0.040 . 1 . . . A 29 VAL HB . 18301 1 249 . 1 1 29 29 VAL HG11 H 1 0.834 0.040 . 2 . . . A 29 VAL HG11 . 18301 1 250 . 1 1 29 29 VAL HG12 H 1 0.834 0.040 . 2 . . . A 29 VAL HG12 . 18301 1 251 . 1 1 29 29 VAL HG13 H 1 0.834 0.040 . 2 . . . A 29 VAL HG13 . 18301 1 252 . 1 1 29 29 VAL C C 13 177.259 0.300 . 1 . . . A 29 VAL C . 18301 1 253 . 1 1 29 29 VAL CA C 13 65.737 0.400 . 1 . . . A 29 VAL CA . 18301 1 254 . 1 1 29 29 VAL CB C 13 31.317 0.400 . 1 . . . A 29 VAL CB . 18301 1 255 . 1 1 29 29 VAL CG1 C 13 24.000 0.400 . 2 . . . A 29 VAL CG1 . 18301 1 256 . 1 1 29 29 VAL CG2 C 13 23.029 0.400 . 2 . . . A 29 VAL CG2 . 18301 1 257 . 1 1 29 29 VAL N N 15 118.845 0.300 . 1 . . . A 29 VAL N . 18301 1 258 . 1 1 30 30 ARG H H 1 8.083 0.030 . 1 . . . A 30 ARG H . 18301 1 259 . 1 1 30 30 ARG HA H 1 3.820 0.040 . 1 . . . A 30 ARG HA . 18301 1 260 . 1 1 30 30 ARG HB2 H 1 1.960 0.040 . 2 . . . A 30 ARG HB2 . 18301 1 261 . 1 1 30 30 ARG HB3 H 1 1.733 0.040 . 2 . . . A 30 ARG HB3 . 18301 1 262 . 1 1 30 30 ARG C C 13 176.717 0.300 . 1 . . . A 30 ARG C . 18301 1 263 . 1 1 30 30 ARG CA C 13 58.648 0.400 . 1 . . . A 30 ARG CA . 18301 1 264 . 1 1 30 30 ARG CB C 13 30.101 0.400 . 1 . . . A 30 ARG CB . 18301 1 265 . 1 1 30 30 ARG CG C 13 28.216 0.400 . 1 . . . A 30 ARG CG . 18301 1 266 . 1 1 30 30 ARG CD C 13 43.428 0.400 . 1 . . . A 30 ARG CD . 18301 1 267 . 1 1 30 30 ARG N N 15 115.480 0.300 . 1 . . . A 30 ARG N . 18301 1 268 . 1 1 31 31 LYS H H 1 6.757 0.030 . 1 . . . A 31 LYS H . 18301 1 269 . 1 1 31 31 LYS HA H 1 4.191 0.040 . 1 . . . A 31 LYS HA . 18301 1 270 . 1 1 31 31 LYS HB2 H 1 1.750 0.040 . 2 . . . A 31 LYS HB2 . 18301 1 271 . 1 1 31 31 LYS HB3 H 1 2.000 0.040 . 2 . . . A 31 LYS HB3 . 18301 1 272 . 1 1 31 31 LYS HG2 H 1 1.670 0.040 . 2 . . . A 31 LYS HG2 . 18301 1 273 . 1 1 31 31 LYS HG3 H 1 1.460 0.040 . 2 . . . A 31 LYS HG3 . 18301 1 274 . 1 1 31 31 LYS HD2 H 1 1.700 0.040 . 2 . . . A 31 LYS HD2 . 18301 1 275 . 1 1 31 31 LYS HD3 H 1 1.700 0.040 . 2 . . . A 31 LYS HD3 . 18301 1 276 . 1 1 31 31 LYS HE2 H 1 2.429 0.040 . 2 . . . A 31 LYS HE2 . 18301 1 277 . 1 1 31 31 LYS HE3 H 1 2.429 0.040 . 2 . . . A 31 LYS HE3 . 18301 1 278 . 1 1 31 31 LYS C C 13 176.870 0.300 . 1 . . . A 31 LYS C . 18301 1 279 . 1 1 31 31 LYS CA C 13 56.242 0.400 . 1 . . . A 31 LYS CA . 18301 1 280 . 1 1 31 31 LYS CB C 13 32.924 0.400 . 1 . . . A 31 LYS CB . 18301 1 281 . 1 1 31 31 LYS CG C 13 25.007 0.400 . 1 . . . A 31 LYS CG . 18301 1 282 . 1 1 31 31 LYS CD C 13 29.054 0.400 . 1 . . . A 31 LYS CD . 18301 1 283 . 1 1 31 31 LYS CE C 13 41.544 0.400 . 1 . . . A 31 LYS CE . 18301 1 284 . 1 1 31 31 LYS N N 15 114.395 0.300 . 1 . . . A 31 LYS N . 18301 1 285 . 1 1 32 32 LEU H H 1 7.386 0.030 . 1 . . . A 32 LEU H . 18301 1 286 . 1 1 32 32 LEU HA H 1 4.095 0.040 . 1 . . . A 32 LEU HA . 18301 1 287 . 1 1 32 32 LEU HB2 H 1 1.785 0.040 . 2 . . . A 32 LEU HB2 . 18301 1 288 . 1 1 32 32 LEU HB3 H 1 2.035 0.040 . 2 . . . A 32 LEU HB3 . 18301 1 289 . 1 1 32 32 LEU HG H 1 1.650 0.040 . 1 . . . A 32 LEU HG . 18301 1 290 . 1 1 32 32 LEU HD11 H 1 0.958 0.040 . 2 . . . A 32 LEU HD11 . 18301 1 291 . 1 1 32 32 LEU HD12 H 1 0.958 0.040 . 2 . . . A 32 LEU HD12 . 18301 1 292 . 1 1 32 32 LEU HD13 H 1 0.958 0.040 . 2 . . . A 32 LEU HD13 . 18301 1 293 . 1 1 32 32 LEU HD21 H 1 0.270 0.040 . 2 . . . A 32 LEU HD21 . 18301 1 294 . 1 1 32 32 LEU HD22 H 1 0.270 0.040 . 2 . . . A 32 LEU HD22 . 18301 1 295 . 1 1 32 32 LEU HD23 H 1 0.270 0.040 . 2 . . . A 32 LEU HD23 . 18301 1 296 . 1 1 32 32 LEU C C 13 177.398 0.300 . 1 . . . A 32 LEU C . 18301 1 297 . 1 1 32 32 LEU CA C 13 54.653 0.400 . 1 . . . A 32 LEU CA . 18301 1 298 . 1 1 32 32 LEU CB C 13 41.308 0.400 . 1 . . . A 32 LEU CB . 18301 1 299 . 1 1 32 32 LEU CG C 13 25.774 0.400 . 1 . . . A 32 LEU CG . 18301 1 300 . 1 1 32 32 LEU CD1 C 13 21.099 0.400 . 2 . . . A 32 LEU CD1 . 18301 1 301 . 1 1 32 32 LEU CD2 C 13 21.518 0.400 . 2 . . . A 32 LEU CD2 . 18301 1 302 . 1 1 32 32 LEU N N 15 121.290 0.300 . 1 . . . A 32 LEU N . 18301 1 303 . 1 1 33 33 GLN H H 1 8.650 0.030 . 1 . . . A 33 GLN H . 18301 1 304 . 1 1 33 33 GLN HA H 1 4.090 0.040 . 1 . . . A 33 GLN HA . 18301 1 305 . 1 1 33 33 GLN HB2 H 1 2.028 0.040 . 2 . . . A 33 GLN HB2 . 18301 1 306 . 1 1 33 33 GLN HB3 H 1 2.028 0.040 . 2 . . . A 33 GLN HB3 . 18301 1 307 . 1 1 33 33 GLN HG2 H 1 2.351 0.040 . 2 . . . A 33 GLN HG2 . 18301 1 308 . 1 1 33 33 GLN HG3 H 1 2.351 0.040 . 2 . . . A 33 GLN HG3 . 18301 1 309 . 1 1 33 33 GLN C C 13 175.661 0.300 . 1 . . . A 33 GLN C . 18301 1 310 . 1 1 33 33 GLN CA C 13 56.895 0.400 . 1 . . . A 33 GLN CA . 18301 1 311 . 1 1 33 33 GLN CB C 13 28.077 0.400 . 1 . . . A 33 GLN CB . 18301 1 312 . 1 1 33 33 GLN CG C 13 34.078 0.400 . 1 . . . A 33 GLN CG . 18301 1 313 . 1 1 33 33 GLN N N 15 124.330 0.300 . 1 . . . A 33 GLN N . 18301 1 314 . 1 1 34 34 GLY H H 1 8.759 0.030 . 1 . . . A 34 GLY H . 18301 1 315 . 1 1 34 34 GLY HA2 H 1 3.816 0.040 . 2 . . . A 34 GLY HA2 . 18301 1 316 . 1 1 34 34 GLY HA3 H 1 4.289 0.040 . 2 . . . A 34 GLY HA3 . 18301 1 317 . 1 1 34 34 GLY C C 13 173.911 0.300 . 1 . . . A 34 GLY C . 18301 1 318 . 1 1 34 34 GLY CA C 13 45.544 0.400 . 1 . . . A 34 GLY CA . 18301 1 319 . 1 1 34 34 GLY N N 15 109.990 0.300 . 1 . . . A 34 GLY N . 18301 1 320 . 1 1 35 35 VAL H H 1 7.600 0.030 . 1 . . . A 35 VAL H . 18301 1 321 . 1 1 35 35 VAL HA H 1 3.850 0.040 . 1 . . . A 35 VAL HA . 18301 1 322 . 1 1 35 35 VAL HB H 1 2.173 0.040 . 1 . . . A 35 VAL HB . 18301 1 323 . 1 1 35 35 VAL HG11 H 1 0.810 0.040 . 2 . . . A 35 VAL HG11 . 18301 1 324 . 1 1 35 35 VAL HG12 H 1 0.810 0.040 . 2 . . . A 35 VAL HG12 . 18301 1 325 . 1 1 35 35 VAL HG13 H 1 0.810 0.040 . 2 . . . A 35 VAL HG13 . 18301 1 326 . 1 1 35 35 VAL HG21 H 1 0.680 0.040 . 2 . . . A 35 VAL HG21 . 18301 1 327 . 1 1 35 35 VAL HG22 H 1 0.680 0.040 . 2 . . . A 35 VAL HG22 . 18301 1 328 . 1 1 35 35 VAL HG23 H 1 0.680 0.040 . 2 . . . A 35 VAL HG23 . 18301 1 329 . 1 1 35 35 VAL C C 13 175.759 0.300 . 1 . . . A 35 VAL C . 18301 1 330 . 1 1 35 35 VAL CA C 13 63.803 0.400 . 1 . . . A 35 VAL CA . 18301 1 331 . 1 1 35 35 VAL CB C 13 31.426 0.400 . 1 . . . A 35 VAL CB . 18301 1 332 . 1 1 35 35 VAL CG1 C 13 24.448 0.400 . 2 . . . A 35 VAL CG1 . 18301 1 333 . 1 1 35 35 VAL CG2 C 13 21.587 0.400 . 2 . . . A 35 VAL CG2 . 18301 1 334 . 1 1 35 35 VAL N N 15 119.540 0.300 . 1 . . . A 35 VAL N . 18301 1 335 . 1 1 36 36 VAL H H 1 9.141 0.030 . 1 . . . A 36 VAL H . 18301 1 336 . 1 1 36 36 VAL HA H 1 3.912 0.040 . 1 . . . A 36 VAL HA . 18301 1 337 . 1 1 36 36 VAL HB H 1 1.578 0.040 . 1 . . . A 36 VAL HB . 18301 1 338 . 1 1 36 36 VAL HG11 H 1 0.981 0.040 . 2 . . . A 36 VAL HG11 . 18301 1 339 . 1 1 36 36 VAL HG12 H 1 0.981 0.040 . 2 . . . A 36 VAL HG12 . 18301 1 340 . 1 1 36 36 VAL HG13 H 1 0.981 0.040 . 2 . . . A 36 VAL HG13 . 18301 1 341 . 1 1 36 36 VAL HG21 H 1 0.845 0.040 . 2 . . . A 36 VAL HG21 . 18301 1 342 . 1 1 36 36 VAL HG22 H 1 0.845 0.040 . 2 . . . A 36 VAL HG22 . 18301 1 343 . 1 1 36 36 VAL HG23 H 1 0.845 0.040 . 2 . . . A 36 VAL HG23 . 18301 1 344 . 1 1 36 36 VAL C C 13 176.023 0.300 . 1 . . . A 36 VAL C . 18301 1 345 . 1 1 36 36 VAL CA C 13 64.200 0.400 . 1 . . . A 36 VAL CA . 18301 1 346 . 1 1 36 36 VAL CB C 13 33.680 0.400 . 1 . . . A 36 VAL CB . 18301 1 347 . 1 1 36 36 VAL CG1 C 13 22.006 0.400 . 2 . . . A 36 VAL CG1 . 18301 1 348 . 1 1 36 36 VAL CG2 C 13 20.611 0.400 . 2 . . . A 36 VAL CG2 . 18301 1 349 . 1 1 36 36 VAL N N 15 130.030 0.300 . 1 . . . A 36 VAL N . 18301 1 350 . 1 1 37 37 ARG H H 1 7.859 0.030 . 1 . . . A 37 ARG H . 18301 1 351 . 1 1 37 37 ARG HA H 1 4.641 0.040 . 1 . . . A 37 ARG HA . 18301 1 352 . 1 1 37 37 ARG HB2 H 1 1.871 0.040 . 2 . . . A 37 ARG HB2 . 18301 1 353 . 1 1 37 37 ARG HB3 H 1 1.744 0.040 . 2 . . . A 37 ARG HB3 . 18301 1 354 . 1 1 37 37 ARG HG2 H 1 1.558 0.040 . 2 . . . A 37 ARG HG2 . 18301 1 355 . 1 1 37 37 ARG HG3 H 1 1.558 0.040 . 2 . . . A 37 ARG HG3 . 18301 1 356 . 1 1 37 37 ARG C C 13 173.230 0.300 . 1 . . . A 37 ARG C . 18301 1 357 . 1 1 37 37 ARG CA C 13 55.581 0.400 . 1 . . . A 37 ARG CA . 18301 1 358 . 1 1 37 37 ARG CB C 13 33.937 0.400 . 1 . . . A 37 ARG CB . 18301 1 359 . 1 1 37 37 ARG CG C 13 27.541 0.400 . 1 . . . A 37 ARG CG . 18301 1 360 . 1 1 37 37 ARG CD C 13 43.033 0.400 . 1 . . . A 37 ARG CD . 18301 1 361 . 1 1 37 37 ARG N N 15 116.750 0.300 . 1 . . . A 37 ARG N . 18301 1 362 . 1 1 38 38 VAL H H 1 8.785 0.030 . 1 . . . A 38 VAL H . 18301 1 363 . 1 1 38 38 VAL HA H 1 4.979 0.040 . 1 . . . A 38 VAL HA . 18301 1 364 . 1 1 38 38 VAL HB H 1 1.890 0.040 . 1 . . . A 38 VAL HB . 18301 1 365 . 1 1 38 38 VAL HG21 H 1 0.920 0.040 . 2 . . . A 38 VAL HG21 . 18301 1 366 . 1 1 38 38 VAL HG22 H 1 0.920 0.040 . 2 . . . A 38 VAL HG22 . 18301 1 367 . 1 1 38 38 VAL HG23 H 1 0.920 0.040 . 2 . . . A 38 VAL HG23 . 18301 1 368 . 1 1 38 38 VAL C C 13 171.841 0.300 . 1 . . . A 38 VAL C . 18301 1 369 . 1 1 38 38 VAL CA C 13 59.637 0.400 . 1 . . . A 38 VAL CA . 18301 1 370 . 1 1 38 38 VAL CB C 13 33.359 0.400 . 1 . . . A 38 VAL CB . 18301 1 371 . 1 1 38 38 VAL CG1 C 13 22.076 0.400 . 2 . . . A 38 VAL CG1 . 18301 1 372 . 1 1 38 38 VAL CG2 C 13 19.424 0.400 . 2 . . . A 38 VAL CG2 . 18301 1 373 . 1 1 38 38 VAL N N 15 119.900 0.300 . 1 . . . A 38 VAL N . 18301 1 374 . 1 1 39 39 LYS H H 1 8.360 0.030 . 1 . . . A 39 LYS H . 18301 1 375 . 1 1 39 39 LYS HA H 1 4.810 0.040 . 1 . . . A 39 LYS HA . 18301 1 376 . 1 1 39 39 LYS HB2 H 1 1.615 0.040 . 2 . . . A 39 LYS HB2 . 18301 1 377 . 1 1 39 39 LYS HB3 H 1 1.767 0.040 . 2 . . . A 39 LYS HB3 . 18301 1 378 . 1 1 39 39 LYS HG2 H 1 1.315 0.040 . 2 . . . A 39 LYS HG2 . 18301 1 379 . 1 1 39 39 LYS HG3 H 1 1.315 0.040 . 2 . . . A 39 LYS HG3 . 18301 1 380 . 1 1 39 39 LYS C C 13 175.634 0.300 . 1 . . . A 39 LYS C . 18301 1 381 . 1 1 39 39 LYS CA C 13 54.438 0.400 . 1 . . . A 39 LYS CA . 18301 1 382 . 1 1 39 39 LYS CB C 13 35.357 0.400 . 1 . . . A 39 LYS CB . 18301 1 383 . 1 1 39 39 LYS CG C 13 24.379 0.400 . 1 . . . A 39 LYS CG . 18301 1 384 . 1 1 39 39 LYS CD C 13 28.635 0.400 . 1 . . . A 39 LYS CD . 18301 1 385 . 1 1 39 39 LYS CE C 13 41.893 0.400 . 1 . . . A 39 LYS CE . 18301 1 386 . 1 1 39 39 LYS N N 15 126.750 0.300 . 1 . . . A 39 LYS N . 18301 1 387 . 1 1 40 40 VAL H H 1 10.183 0.030 . 1 . . . A 40 VAL H . 18301 1 388 . 1 1 40 40 VAL HA H 1 4.787 0.040 . 1 . . . A 40 VAL HA . 18301 1 389 . 1 1 40 40 VAL HB H 1 2.073 0.040 . 1 . . . A 40 VAL HB . 18301 1 390 . 1 1 40 40 VAL HG11 H 1 1.310 0.040 . 2 . . . A 40 VAL HG11 . 18301 1 391 . 1 1 40 40 VAL HG12 H 1 1.310 0.040 . 2 . . . A 40 VAL HG12 . 18301 1 392 . 1 1 40 40 VAL HG13 H 1 1.310 0.040 . 2 . . . A 40 VAL HG13 . 18301 1 393 . 1 1 40 40 VAL HG21 H 1 0.762 0.040 . 2 . . . A 40 VAL HG21 . 18301 1 394 . 1 1 40 40 VAL HG22 H 1 0.762 0.040 . 2 . . . A 40 VAL HG22 . 18301 1 395 . 1 1 40 40 VAL HG23 H 1 0.762 0.040 . 2 . . . A 40 VAL HG23 . 18301 1 396 . 1 1 40 40 VAL C C 13 173.522 0.300 . 1 . . . A 40 VAL C . 18301 1 397 . 1 1 40 40 VAL CA C 13 60.968 0.400 . 1 . . . A 40 VAL CA . 18301 1 398 . 1 1 40 40 VAL CB C 13 32.403 0.400 . 1 . . . A 40 VAL CB . 18301 1 399 . 1 1 40 40 VAL CG1 C 13 23.820 0.400 . 2 . . . A 40 VAL CG1 . 18301 1 400 . 1 1 40 40 VAL CG2 C 13 22.355 0.400 . 2 . . . A 40 VAL CG2 . 18301 1 401 . 1 1 40 40 VAL N N 15 131.410 0.300 . 1 . . . A 40 VAL N . 18301 1 402 . 1 1 41 41 SER H H 1 8.868 0.030 . 1 . . . A 41 SER H . 18301 1 403 . 1 1 41 41 SER HA H 1 4.852 0.040 . 1 . . . A 41 SER HA . 18301 1 404 . 1 1 41 41 SER HB2 H 1 3.930 0.040 . 2 . . . A 41 SER HB2 . 18301 1 405 . 1 1 41 41 SER HB3 H 1 3.720 0.040 . 2 . . . A 41 SER HB3 . 18301 1 406 . 1 1 41 41 SER C C 13 175.217 0.300 . 1 . . . A 41 SER C . 18301 1 407 . 1 1 41 41 SER CA C 13 55.039 0.400 . 1 . . . A 41 SER CA . 18301 1 408 . 1 1 41 41 SER CB C 13 64.710 0.400 . 1 . . . A 41 SER CB . 18301 1 409 . 1 1 41 41 SER N N 15 120.470 0.300 . 1 . . . A 41 SER N . 18301 1 410 . 1 1 42 42 LEU H H 1 8.998 0.030 . 1 . . . A 42 LEU H . 18301 1 411 . 1 1 42 42 LEU HA H 1 4.810 0.040 . 1 . . . A 42 LEU HA . 18301 1 412 . 1 1 42 42 LEU HB2 H 1 1.767 0.040 . 2 . . . A 42 LEU HB2 . 18301 1 413 . 1 1 42 42 LEU HB3 H 1 1.767 0.040 . 2 . . . A 42 LEU HB3 . 18301 1 414 . 1 1 42 42 LEU C C 13 179.982 0.300 . 1 . . . A 42 LEU C . 18301 1 415 . 1 1 42 42 LEU CA C 13 57.875 0.400 . 1 . . . A 42 LEU CA . 18301 1 416 . 1 1 42 42 LEU CB C 13 42.030 0.400 . 1 . . . A 42 LEU CB . 18301 1 417 . 1 1 42 42 LEU N N 15 130.390 0.300 . 1 . . . A 42 LEU N . 18301 1 418 . 1 1 44 44 ASN H H 1 7.812 0.030 . 1 . . . A 44 ASN H . 18301 1 419 . 1 1 44 44 ASN HA H 1 4.844 0.040 . 1 . . . A 44 ASN HA . 18301 1 420 . 1 1 44 44 ASN HB2 H 1 2.801 0.040 . 2 . . . A 44 ASN HB2 . 18301 1 421 . 1 1 44 44 ASN HB3 H 1 2.503 0.040 . 2 . . . A 44 ASN HB3 . 18301 1 422 . 1 1 44 44 ASN C C 13 173.786 0.300 . 1 . . . A 44 ASN C . 18301 1 423 . 1 1 44 44 ASN CA C 13 52.290 0.400 . 1 . . . A 44 ASN CA . 18301 1 424 . 1 1 44 44 ASN CB C 13 38.180 0.400 . 1 . . . A 44 ASN CB . 18301 1 425 . 1 1 44 44 ASN N N 15 116.079 0.300 . 1 . . . A 44 ASN N . 18301 1 426 . 1 1 45 45 GLN H H 1 7.679 0.030 . 1 . . . A 45 GLN H . 18301 1 427 . 1 1 45 45 GLN HA H 1 3.601 0.040 . 1 . . . A 45 GLN HA . 18301 1 428 . 1 1 45 45 GLN HB2 H 1 2.307 0.040 . 2 . . . A 45 GLN HB2 . 18301 1 429 . 1 1 45 45 GLN HB3 H 1 2.307 0.040 . 2 . . . A 45 GLN HB3 . 18301 1 430 . 1 1 45 45 GLN HG2 H 1 2.383 0.040 . 2 . . . A 45 GLN HG2 . 18301 1 431 . 1 1 45 45 GLN HG3 H 1 2.249 0.040 . 2 . . . A 45 GLN HG3 . 18301 1 432 . 1 1 45 45 GLN C C 13 175.314 0.300 . 1 . . . A 45 GLN C . 18301 1 433 . 1 1 45 45 GLN CA C 13 56.930 0.400 . 1 . . . A 45 GLN CA . 18301 1 434 . 1 1 45 45 GLN CB C 13 26.061 0.400 . 1 . . . A 45 GLN CB . 18301 1 435 . 1 1 45 45 GLN CG C 13 34.937 0.400 . 1 . . . A 45 GLN CG . 18301 1 436 . 1 1 45 45 GLN N N 15 117.658 0.300 . 1 . . . A 45 GLN N . 18301 1 437 . 1 1 46 46 GLU H H 1 7.780 0.030 . 1 . . . A 46 GLU H . 18301 1 438 . 1 1 46 46 GLU HA H 1 5.694 0.040 . 1 . . . A 46 GLU HA . 18301 1 439 . 1 1 46 46 GLU HB2 H 1 1.740 0.040 . 2 . . . A 46 GLU HB2 . 18301 1 440 . 1 1 46 46 GLU HB3 H 1 1.837 0.040 . 2 . . . A 46 GLU HB3 . 18301 1 441 . 1 1 46 46 GLU HG2 H 1 2.040 0.040 . 2 . . . A 46 GLU HG2 . 18301 1 442 . 1 1 46 46 GLU HG3 H 1 1.920 0.040 . 2 . . . A 46 GLU HG3 . 18301 1 443 . 1 1 46 46 GLU C C 13 173.869 0.300 . 1 . . . A 46 GLU C . 18301 1 444 . 1 1 46 46 GLU CA C 13 54.395 0.400 . 1 . . . A 46 GLU CA . 18301 1 445 . 1 1 46 46 GLU CB C 13 35.531 0.400 . 1 . . . A 46 GLU CB . 18301 1 446 . 1 1 46 46 GLU CG C 13 37.418 0.400 . 1 . . . A 46 GLU CG . 18301 1 447 . 1 1 46 46 GLU N N 15 116.510 0.300 . 1 . . . A 46 GLU N . 18301 1 448 . 1 1 47 47 ALA H H 1 9.170 0.030 . 1 . . . A 47 ALA H . 18301 1 449 . 1 1 47 47 ALA HA H 1 5.107 0.040 . 1 . . . A 47 ALA HA . 18301 1 450 . 1 1 47 47 ALA HB1 H 1 1.071 0.040 . 1 . . . A 47 ALA HB1 . 18301 1 451 . 1 1 47 47 ALA HB2 H 1 1.071 0.040 . 1 . . . A 47 ALA HB2 . 18301 1 452 . 1 1 47 47 ALA HB3 H 1 1.071 0.040 . 1 . . . A 47 ALA HB3 . 18301 1 453 . 1 1 47 47 ALA C C 13 174.758 0.300 . 1 . . . A 47 ALA C . 18301 1 454 . 1 1 47 47 ALA CA C 13 49.798 0.400 . 1 . . . A 47 ALA CA . 18301 1 455 . 1 1 47 47 ALA CB C 13 22.076 0.400 . 1 . . . A 47 ALA CB . 18301 1 456 . 1 1 47 47 ALA N N 15 124.870 0.300 . 1 . . . A 47 ALA N . 18301 1 457 . 1 1 48 48 VAL H H 1 8.930 0.030 . 1 . . . A 48 VAL H . 18301 1 458 . 1 1 48 48 VAL HA H 1 4.572 0.040 . 1 . . . A 48 VAL HA . 18301 1 459 . 1 1 48 48 VAL HB H 1 2.034 0.040 . 1 . . . A 48 VAL HB . 18301 1 460 . 1 1 48 48 VAL HG21 H 1 0.877 0.040 . 2 . . . A 48 VAL HG21 . 18301 1 461 . 1 1 48 48 VAL HG22 H 1 0.877 0.040 . 2 . . . A 48 VAL HG22 . 18301 1 462 . 1 1 48 48 VAL HG23 H 1 0.877 0.040 . 2 . . . A 48 VAL HG23 . 18301 1 463 . 1 1 48 48 VAL C C 13 176.217 0.300 . 1 . . . A 48 VAL C . 18301 1 464 . 1 1 48 48 VAL CA C 13 62.644 0.400 . 1 . . . A 48 VAL CA . 18301 1 465 . 1 1 48 48 VAL CB C 13 32.533 0.400 . 1 . . . A 48 VAL CB . 18301 1 466 . 1 1 48 48 VAL CG1 C 13 21.378 0.400 . 2 . . . A 48 VAL CG1 . 18301 1 467 . 1 1 48 48 VAL CG2 C 13 23.123 0.400 . 2 . . . A 48 VAL CG2 . 18301 1 468 . 1 1 48 48 VAL N N 15 123.890 0.300 . 1 . . . A 48 VAL N . 18301 1 469 . 1 1 49 49 ILE H H 1 9.340 0.030 . 1 . . . A 49 ILE H . 18301 1 470 . 1 1 49 49 ILE HA H 1 4.840 0.040 . 1 . . . A 49 ILE HA . 18301 1 471 . 1 1 49 49 ILE HB H 1 1.742 0.040 . 1 . . . A 49 ILE HB . 18301 1 472 . 1 1 49 49 ILE HG12 H 1 1.425 0.040 . 2 . . . A 49 ILE HG12 . 18301 1 473 . 1 1 49 49 ILE HG13 H 1 1.425 0.040 . 2 . . . A 49 ILE HG13 . 18301 1 474 . 1 1 49 49 ILE HG21 H 1 0.931 0.040 . 1 . . . A 49 ILE HG21 . 18301 1 475 . 1 1 49 49 ILE HG22 H 1 0.931 0.040 . 1 . . . A 49 ILE HG22 . 18301 1 476 . 1 1 49 49 ILE HG23 H 1 0.931 0.040 . 1 . . . A 49 ILE HG23 . 18301 1 477 . 1 1 49 49 ILE HD11 H 1 0.630 0.040 . 1 . . . A 49 ILE HD11 . 18301 1 478 . 1 1 49 49 ILE HD12 H 1 0.630 0.040 . 1 . . . A 49 ILE HD12 . 18301 1 479 . 1 1 49 49 ILE HD13 H 1 0.630 0.040 . 1 . . . A 49 ILE HD13 . 18301 1 480 . 1 1 49 49 ILE C C 13 174.619 0.300 . 1 . . . A 49 ILE C . 18301 1 481 . 1 1 49 49 ILE CA C 13 60.410 0.400 . 1 . . . A 49 ILE CA . 18301 1 482 . 1 1 49 49 ILE CB C 13 40.917 0.400 . 1 . . . A 49 ILE CB . 18301 1 483 . 1 1 49 49 ILE CG1 C 13 27.519 0.400 . 1 . . . A 49 ILE CG1 . 18301 1 484 . 1 1 49 49 ILE CG2 C 13 19.424 0.400 . 1 . . . A 49 ILE CG2 . 18301 1 485 . 1 1 49 49 ILE CD1 C 13 15.028 0.400 . 1 . . . A 49 ILE CD1 . 18301 1 486 . 1 1 49 49 ILE N N 15 129.890 0.300 . 1 . . . A 49 ILE N . 18301 1 487 . 1 1 50 50 THR H H 1 9.225 0.030 . 1 . . . A 50 THR H . 18301 1 488 . 1 1 50 50 THR HA H 1 5.486 0.040 . 1 . . . A 50 THR HA . 18301 1 489 . 1 1 50 50 THR HB H 1 3.916 0.040 . 1 . . . A 50 THR HB . 18301 1 490 . 1 1 50 50 THR HG21 H 1 1.131 0.040 . 1 . . . A 50 THR HG21 . 18301 1 491 . 1 1 50 50 THR HG22 H 1 1.131 0.040 . 1 . . . A 50 THR HG22 . 18301 1 492 . 1 1 50 50 THR HG23 H 1 1.131 0.040 . 1 . . . A 50 THR HG23 . 18301 1 493 . 1 1 50 50 THR C C 13 174.286 0.300 . 1 . . . A 50 THR C . 18301 1 494 . 1 1 50 50 THR CA C 13 61.871 0.400 . 1 . . . A 50 THR CA . 18301 1 495 . 1 1 50 50 THR CB C 13 68.762 0.400 . 1 . . . A 50 THR CB . 18301 1 496 . 1 1 50 50 THR CG2 C 13 20.820 0.400 . 1 . . . A 50 THR CG2 . 18301 1 497 . 1 1 50 50 THR N N 15 125.910 0.300 . 1 . . . A 50 THR N . 18301 1 498 . 1 1 51 51 TYR H H 1 9.846 0.030 . 1 . . . A 51 TYR H . 18301 1 499 . 1 1 51 51 TYR HA H 1 5.665 0.040 . 1 . . . A 51 TYR HA . 18301 1 500 . 1 1 51 51 TYR HB2 H 1 2.520 0.040 . 2 . . . A 51 TYR HB2 . 18301 1 501 . 1 1 51 51 TYR HB3 H 1 2.740 0.040 . 2 . . . A 51 TYR HB3 . 18301 1 502 . 1 1 51 51 TYR HD1 H 1 6.920 0.040 . 3 . . . A 51 TYR HD1 . 18301 1 503 . 1 1 51 51 TYR HD2 H 1 6.920 0.040 . 3 . . . A 51 TYR HD2 . 18301 1 504 . 1 1 51 51 TYR HE1 H 1 6.530 0.040 . 3 . . . A 51 TYR HE1 . 18301 1 505 . 1 1 51 51 TYR HE2 H 1 6.530 0.040 . 3 . . . A 51 TYR HE2 . 18301 1 506 . 1 1 51 51 TYR C C 13 171.758 0.300 . 1 . . . A 51 TYR C . 18301 1 507 . 1 1 51 51 TYR CA C 13 55.125 0.400 . 1 . . . A 51 TYR CA . 18301 1 508 . 1 1 51 51 TYR CB C 13 41.544 0.400 . 1 . . . A 51 TYR CB . 18301 1 509 . 1 1 51 51 TYR N N 15 127.720 0.300 . 1 . . . A 51 TYR N . 18301 1 510 . 1 1 52 52 GLN H H 1 9.072 0.030 . 1 . . . A 52 GLN H . 18301 1 511 . 1 1 52 52 GLN HA H 1 5.023 0.040 . 1 . . . A 52 GLN HA . 18301 1 512 . 1 1 52 52 GLN HB2 H 1 2.204 0.040 . 2 . . . A 52 GLN HB2 . 18301 1 513 . 1 1 52 52 GLN HB3 H 1 2.204 0.040 . 2 . . . A 52 GLN HB3 . 18301 1 514 . 1 1 52 52 GLN HG2 H 1 2.503 0.040 . 2 . . . A 52 GLN HG2 . 18301 1 515 . 1 1 52 52 GLN HG3 H 1 2.503 0.040 . 2 . . . A 52 GLN HG3 . 18301 1 516 . 1 1 52 52 GLN C C 13 175.286 0.300 . 1 . . . A 52 GLN C . 18301 1 517 . 1 1 52 52 GLN CA C 13 51.989 0.400 . 1 . . . A 52 GLN CA . 18301 1 518 . 1 1 52 52 GLN N N 15 120.470 0.300 . 1 . . . A 52 GLN N . 18301 1 519 . 1 1 53 53 PRO CA C 13 63.718 0.400 . 1 . . . A 53 PRO CA . 18301 1 520 . 1 1 53 53 PRO CB C 13 32.403 0.400 . 1 . . . A 53 PRO CB . 18301 1 521 . 1 1 54 54 TYR H H 1 8.158 0.030 . 1 . . . A 54 TYR H . 18301 1 522 . 1 1 54 54 TYR HA H 1 4.401 0.040 . 1 . . . A 54 TYR HA . 18301 1 523 . 1 1 54 54 TYR HB2 H 1 3.184 0.040 . 2 . . . A 54 TYR HB2 . 18301 1 524 . 1 1 54 54 TYR HB3 H 1 2.863 0.040 . 2 . . . A 54 TYR HB3 . 18301 1 525 . 1 1 54 54 TYR HD1 H 1 7.110 0.040 . 3 . . . A 54 TYR HD1 . 18301 1 526 . 1 1 54 54 TYR HD2 H 1 7.110 0.040 . 3 . . . A 54 TYR HD2 . 18301 1 527 . 1 1 54 54 TYR C C 13 175.689 0.300 . 1 . . . A 54 TYR C . 18301 1 528 . 1 1 54 54 TYR CA C 13 58.734 0.400 . 1 . . . A 54 TYR CA . 18301 1 529 . 1 1 54 54 TYR CB C 13 37.572 0.400 . 1 . . . A 54 TYR CB . 18301 1 530 . 1 1 54 54 TYR N N 15 114.650 0.300 . 1 . . . A 54 TYR N . 18301 1 531 . 1 1 55 55 LEU H H 1 7.968 0.030 . 1 . . . A 55 LEU H . 18301 1 532 . 1 1 55 55 LEU HA H 1 4.412 0.040 . 1 . . . A 55 LEU HA . 18301 1 533 . 1 1 55 55 LEU HB2 H 1 1.698 0.040 . 2 . . . A 55 LEU HB2 . 18301 1 534 . 1 1 55 55 LEU HB3 H 1 1.256 0.040 . 2 . . . A 55 LEU HB3 . 18301 1 535 . 1 1 55 55 LEU HG H 1 1.221 0.040 . 1 . . . A 55 LEU HG . 18301 1 536 . 1 1 55 55 LEU HD21 H 1 0.834 0.040 . 2 . . . A 55 LEU HD21 . 18301 1 537 . 1 1 55 55 LEU HD22 H 1 0.834 0.040 . 2 . . . A 55 LEU HD22 . 18301 1 538 . 1 1 55 55 LEU HD23 H 1 0.834 0.040 . 2 . . . A 55 LEU HD23 . 18301 1 539 . 1 1 55 55 LEU C C 13 175.786 0.300 . 1 . . . A 55 LEU C . 18301 1 540 . 1 1 55 55 LEU CA C 13 55.039 0.400 . 1 . . . A 55 LEU CA . 18301 1 541 . 1 1 55 55 LEU CB C 13 45.869 0.400 . 1 . . . A 55 LEU CB . 18301 1 542 . 1 1 55 55 LEU CG C 13 26.681 0.400 . 1 . . . A 55 LEU CG . 18301 1 543 . 1 1 55 55 LEU CD1 C 13 25.425 0.400 . 2 . . . A 55 LEU CD1 . 18301 1 544 . 1 1 55 55 LEU CD2 C 13 22.983 0.400 . 2 . . . A 55 LEU CD2 . 18301 1 545 . 1 1 55 55 LEU N N 15 117.788 0.300 . 1 . . . A 55 LEU N . 18301 1 546 . 1 1 56 56 ILE H H 1 8.211 0.030 . 1 . . . A 56 ILE H . 18301 1 547 . 1 1 56 56 ILE HA H 1 4.421 0.040 . 1 . . . A 56 ILE HA . 18301 1 548 . 1 1 56 56 ILE HB H 1 1.976 0.040 . 1 . . . A 56 ILE HB . 18301 1 549 . 1 1 56 56 ILE HG12 H 1 1.220 0.040 . 2 . . . A 56 ILE HG12 . 18301 1 550 . 1 1 56 56 ILE HG13 H 1 1.220 0.040 . 2 . . . A 56 ILE HG13 . 18301 1 551 . 1 1 56 56 ILE HG21 H 1 0.760 0.040 . 1 . . . A 56 ILE HG21 . 18301 1 552 . 1 1 56 56 ILE HG22 H 1 0.760 0.040 . 1 . . . A 56 ILE HG22 . 18301 1 553 . 1 1 56 56 ILE HG23 H 1 0.760 0.040 . 1 . . . A 56 ILE HG23 . 18301 1 554 . 1 1 56 56 ILE HD11 H 1 0.830 0.040 . 1 . . . A 56 ILE HD11 . 18301 1 555 . 1 1 56 56 ILE HD12 H 1 0.830 0.040 . 1 . . . A 56 ILE HD12 . 18301 1 556 . 1 1 56 56 ILE HD13 H 1 0.830 0.040 . 1 . . . A 56 ILE HD13 . 18301 1 557 . 1 1 56 56 ILE C C 13 170.396 0.300 . 1 . . . A 56 ILE C . 18301 1 558 . 1 1 56 56 ILE CA C 13 61.355 0.400 . 1 . . . A 56 ILE CA . 18301 1 559 . 1 1 56 56 ILE CB C 13 40.787 0.400 . 1 . . . A 56 ILE CB . 18301 1 560 . 1 1 56 56 ILE CG1 C 13 31.000 0.400 . 1 . . . A 56 ILE CG1 . 18301 1 561 . 1 1 56 56 ILE CG2 C 13 16.494 0.400 . 1 . . . A 56 ILE CG2 . 18301 1 562 . 1 1 56 56 ILE CD1 C 13 14.958 0.400 . 1 . . . A 56 ILE CD1 . 18301 1 563 . 1 1 56 56 ILE N N 15 121.565 0.300 . 1 . . . A 56 ILE N . 18301 1 564 . 1 1 57 57 GLN H H 1 7.953 0.030 . 1 . . . A 57 GLN H . 18301 1 565 . 1 1 57 57 GLN HA H 1 4.993 0.040 . 1 . . . A 57 GLN HA . 18301 1 566 . 1 1 57 57 GLN HB2 H 1 1.860 0.040 . 2 . . . A 57 GLN HB2 . 18301 1 567 . 1 1 57 57 GLN HB3 H 1 2.428 0.040 . 2 . . . A 57 GLN HB3 . 18301 1 568 . 1 1 57 57 GLN C C 13 175.911 0.300 . 1 . . . A 57 GLN C . 18301 1 569 . 1 1 57 57 GLN CA C 13 52.247 0.400 . 1 . . . A 57 GLN CA . 18301 1 570 . 1 1 57 57 GLN CB C 13 29.884 0.400 . 1 . . . A 57 GLN CB . 18301 1 571 . 1 1 57 57 GLN N N 15 119.400 0.300 . 1 . . . A 57 GLN N . 18301 1 572 . 1 1 58 58 PRO HD2 H 1 3.920 0.040 . 2 . . . A 58 PRO HD2 . 18301 1 573 . 1 1 58 58 PRO HD3 H 1 3.710 0.040 . 2 . . . A 58 PRO HD3 . 18301 1 574 . 1 1 58 58 PRO CA C 13 66.080 0.400 . 1 . . . A 58 PRO CA . 18301 1 575 . 1 1 58 58 PRO CB C 13 31.800 0.400 . 1 . . . A 58 PRO CB . 18301 1 576 . 1 1 58 58 PRO CG C 13 28.100 0.400 . 1 . . . A 58 PRO CG . 18301 1 577 . 1 1 58 58 PRO CD C 13 49.990 0.300 . 1 . . . A 58 PRO CD . 18301 1 578 . 1 1 59 59 GLU H H 1 9.588 0.030 . 1 . . . A 59 GLU H . 18301 1 579 . 1 1 59 59 GLU HA H 1 3.577 0.040 . 1 . . . A 59 GLU HA . 18301 1 580 . 1 1 59 59 GLU HB2 H 1 1.960 0.040 . 2 . . . A 59 GLU HB2 . 18301 1 581 . 1 1 59 59 GLU HB3 H 1 1.900 0.040 . 2 . . . A 59 GLU HB3 . 18301 1 582 . 1 1 59 59 GLU HG2 H 1 2.510 0.040 . 2 . . . A 59 GLU HG2 . 18301 1 583 . 1 1 59 59 GLU HG3 H 1 2.100 0.040 . 2 . . . A 59 GLU HG3 . 18301 1 584 . 1 1 59 59 GLU C C 13 177.634 0.300 . 1 . . . A 59 GLU C . 18301 1 585 . 1 1 59 59 GLU CA C 13 61.355 0.400 . 1 . . . A 59 GLU CA . 18301 1 586 . 1 1 59 59 GLU CB C 13 28.407 0.400 . 1 . . . A 59 GLU CB . 18301 1 587 . 1 1 59 59 GLU CG C 13 37.427 0.400 . 1 . . . A 59 GLU CG . 18301 1 588 . 1 1 59 59 GLU N N 15 116.700 0.300 . 1 . . . A 59 GLU N . 18301 1 589 . 1 1 60 60 ASP H H 1 6.994 0.030 . 1 . . . A 60 ASP H . 18301 1 590 . 1 1 60 60 ASP HA H 1 4.271 0.040 . 1 . . . A 60 ASP HA . 18301 1 591 . 1 1 60 60 ASP HB2 H 1 2.670 0.040 . 2 . . . A 60 ASP HB2 . 18301 1 592 . 1 1 60 60 ASP HB3 H 1 2.980 0.040 . 2 . . . A 60 ASP HB3 . 18301 1 593 . 1 1 60 60 ASP C C 13 178.898 0.300 . 1 . . . A 60 ASP C . 18301 1 594 . 1 1 60 60 ASP CA C 13 56.887 0.400 . 1 . . . A 60 ASP CA . 18301 1 595 . 1 1 60 60 ASP CB C 13 40.726 0.400 . 1 . . . A 60 ASP CB . 18301 1 596 . 1 1 60 60 ASP N N 15 116.670 0.300 . 1 . . . A 60 ASP N . 18301 1 597 . 1 1 61 61 LEU H H 1 7.220 0.030 . 1 . . . A 61 LEU H . 18301 1 598 . 1 1 61 61 LEU HA H 1 3.759 0.040 . 1 . . . A 61 LEU HA . 18301 1 599 . 1 1 61 61 LEU HB2 H 1 1.906 0.040 . 2 . . . A 61 LEU HB2 . 18301 1 600 . 1 1 61 61 LEU HB3 H 1 0.925 0.040 . 2 . . . A 61 LEU HB3 . 18301 1 601 . 1 1 61 61 LEU HG H 1 1.370 0.040 . 1 . . . A 61 LEU HG . 18301 1 602 . 1 1 61 61 LEU HD11 H 1 0.158 0.040 . 2 . . . A 61 LEU HD11 . 18301 1 603 . 1 1 61 61 LEU HD12 H 1 0.158 0.040 . 2 . . . A 61 LEU HD12 . 18301 1 604 . 1 1 61 61 LEU HD13 H 1 0.158 0.040 . 2 . . . A 61 LEU HD13 . 18301 1 605 . 1 1 61 61 LEU HD21 H 1 0.641 0.040 . 2 . . . A 61 LEU HD21 . 18301 1 606 . 1 1 61 61 LEU HD22 H 1 0.641 0.040 . 2 . . . A 61 LEU HD22 . 18301 1 607 . 1 1 61 61 LEU HD23 H 1 0.641 0.040 . 2 . . . A 61 LEU HD23 . 18301 1 608 . 1 1 61 61 LEU C C 13 177.009 0.300 . 1 . . . A 61 LEU C . 18301 1 609 . 1 1 61 61 LEU CA C 13 58.219 0.400 . 1 . . . A 61 LEU CA . 18301 1 610 . 1 1 61 61 LEU CB C 13 41.565 0.400 . 1 . . . A 61 LEU CB . 18301 1 611 . 1 1 61 61 LEU CG C 13 26.742 0.400 . 1 . . . A 61 LEU CG . 18301 1 612 . 1 1 61 61 LEU CD1 C 13 25.355 0.400 . 2 . . . A 61 LEU CD1 . 18301 1 613 . 1 1 61 61 LEU CD2 C 13 24.518 0.400 . 2 . . . A 61 LEU CD2 . 18301 1 614 . 1 1 61 61 LEU N N 15 120.023 0.300 . 1 . . . A 61 LEU N . 18301 1 615 . 1 1 62 62 ARG H H 1 8.034 0.030 . 1 . . . A 62 ARG H . 18301 1 616 . 1 1 62 62 ARG HA H 1 4.710 0.030 . 1 . . . A 62 ARG HA . 18301 1 617 . 1 1 62 62 ARG HB2 H 1 2.100 0.040 . 2 . . . A 62 ARG HB2 . 18301 1 618 . 1 1 62 62 ARG HB3 H 1 2.100 0.040 . 2 . . . A 62 ARG HB3 . 18301 1 619 . 1 1 62 62 ARG HG2 H 1 1.890 0.040 . 2 . . . A 62 ARG HG2 . 18301 1 620 . 1 1 62 62 ARG HG3 H 1 1.890 0.040 . 2 . . . A 62 ARG HG3 . 18301 1 621 . 1 1 62 62 ARG HD2 H 1 3.447 0.040 . 2 . . . A 62 ARG HD2 . 18301 1 622 . 1 1 62 62 ARG HD3 H 1 3.447 0.040 . 2 . . . A 62 ARG HD3 . 18301 1 623 . 1 1 62 62 ARG C C 13 177.676 0.300 . 1 . . . A 62 ARG C . 18301 1 624 . 1 1 62 62 ARG CA C 13 59.422 0.300 . 1 . . . A 62 ARG CA . 18301 1 625 . 1 1 62 62 ARG CB C 13 28.971 0.400 . 1 . . . A 62 ARG CB . 18301 1 626 . 1 1 62 62 ARG CG C 13 25.495 0.400 . 1 . . . A 62 ARG CG . 18301 1 627 . 1 1 62 62 ARG CD C 13 42.970 0.400 . 1 . . . A 62 ARG CD . 18301 1 628 . 1 1 62 62 ARG N N 15 117.758 0.300 . 1 . . . A 62 ARG N . 18301 1 629 . 1 1 63 63 ASP H H 1 8.187 0.030 . 1 . . . A 63 ASP H . 18301 1 630 . 1 1 63 63 ASP HA H 1 4.388 0.040 . 1 . . . A 63 ASP HA . 18301 1 631 . 1 1 63 63 ASP HB2 H 1 2.734 0.040 . 2 . . . A 63 ASP HB2 . 18301 1 632 . 1 1 63 63 ASP HB3 H 1 2.734 0.040 . 2 . . . A 63 ASP HB3 . 18301 1 633 . 1 1 63 63 ASP C C 13 178.190 0.300 . 1 . . . A 63 ASP C . 18301 1 634 . 1 1 63 63 ASP CA C 13 57.660 0.400 . 1 . . . A 63 ASP CA . 18301 1 635 . 1 1 63 63 ASP CB C 13 39.093 0.400 . 1 . . . A 63 ASP CB . 18301 1 636 . 1 1 63 63 ASP N N 15 119.490 0.300 . 1 . . . A 63 ASP N . 18301 1 637 . 1 1 64 64 HIS H H 1 8.250 0.030 . 1 . . . A 64 HIS H . 18301 1 638 . 1 1 64 64 HIS HA H 1 4.359 0.040 . 1 . . . A 64 HIS HA . 18301 1 639 . 1 1 64 64 HIS HB2 H 1 2.810 0.040 . 2 . . . A 64 HIS HB2 . 18301 1 640 . 1 1 64 64 HIS HB3 H 1 3.180 0.040 . 2 . . . A 64 HIS HB3 . 18301 1 641 . 1 1 64 64 HIS C C 13 178.607 0.300 . 1 . . . A 64 HIS C . 18301 1 642 . 1 1 64 64 HIS CA C 13 60.324 0.400 . 1 . . . A 64 HIS CA . 18301 1 643 . 1 1 64 64 HIS CB C 13 30.400 0.400 . 1 . . . A 64 HIS CB . 18301 1 644 . 1 1 64 64 HIS N N 15 119.289 0.300 . 1 . . . A 64 HIS N . 18301 1 645 . 1 1 65 65 VAL H H 1 7.638 0.030 . 1 . . . A 65 VAL H . 18301 1 646 . 1 1 65 65 VAL HA H 1 3.722 0.040 . 1 . . . A 65 VAL HA . 18301 1 647 . 1 1 65 65 VAL HB H 1 2.011 0.040 . 1 . . . A 65 VAL HB . 18301 1 648 . 1 1 65 65 VAL HG21 H 1 0.760 0.040 . 2 . . . A 65 VAL HG21 . 18301 1 649 . 1 1 65 65 VAL HG22 H 1 0.760 0.040 . 2 . . . A 65 VAL HG22 . 18301 1 650 . 1 1 65 65 VAL HG23 H 1 0.760 0.040 . 2 . . . A 65 VAL HG23 . 18301 1 651 . 1 1 65 65 VAL CA C 13 66.940 0.400 . 1 . . . A 65 VAL CA . 18301 1 652 . 1 1 65 65 VAL CB C 13 31.813 0.400 . 1 . . . A 65 VAL CB . 18301 1 653 . 1 1 65 65 VAL CG1 C 13 24.658 0.400 . 2 . . . A 65 VAL CG1 . 18301 1 654 . 1 1 65 65 VAL CG2 C 13 22.355 0.400 . 2 . . . A 65 VAL CG2 . 18301 1 655 . 1 1 65 65 VAL N N 15 119.590 0.300 . 1 . . . A 65 VAL N . 18301 1 656 . 1 1 66 66 ASN H H 1 8.461 0.030 . 1 . . . A 66 ASN H . 18301 1 657 . 1 1 66 66 ASN HA H 1 5.150 0.040 . 1 . . . A 66 ASN HA . 18301 1 658 . 1 1 66 66 ASN HB2 H 1 3.020 0.040 . 2 . . . A 66 ASN HB2 . 18301 1 659 . 1 1 66 66 ASN HB3 H 1 2.910 0.040 . 2 . . . A 66 ASN HB3 . 18301 1 660 . 1 1 66 66 ASN C C 13 180.454 0.300 . 1 . . . A 66 ASN C . 18301 1 661 . 1 1 66 66 ASN CA C 13 55.683 0.400 . 1 . . . A 66 ASN CA . 18301 1 662 . 1 1 66 66 ASN CB C 13 37.986 0.400 . 1 . . . A 66 ASN CB . 18301 1 663 . 1 1 66 66 ASN N N 15 121.680 0.300 . 1 . . . A 66 ASN N . 18301 1 664 . 1 1 67 67 ASP H H 1 8.385 0.030 . 1 . . . A 67 ASP H . 18301 1 665 . 1 1 67 67 ASP HA H 1 4.440 0.040 . 1 . . . A 67 ASP HA . 18301 1 666 . 1 1 67 67 ASP HB2 H 1 2.810 0.040 . 2 . . . A 67 ASP HB2 . 18301 1 667 . 1 1 67 67 ASP HB3 H 1 2.685 0.040 . 2 . . . A 67 ASP HB3 . 18301 1 668 . 1 1 67 67 ASP C C 13 177.537 0.300 . 1 . . . A 67 ASP C . 18301 1 669 . 1 1 67 67 ASP CA C 13 56.628 0.400 . 1 . . . A 67 ASP CA . 18301 1 670 . 1 1 67 67 ASP CB C 13 40.483 0.400 . 1 . . . A 67 ASP CB . 18301 1 671 . 1 1 67 67 ASP N N 15 120.750 0.300 . 1 . . . A 67 ASP N . 18301 1 672 . 1 1 68 68 MET H H 1 7.680 0.030 . 1 . . . A 68 MET H . 18301 1 673 . 1 1 68 68 MET HA H 1 4.287 0.040 . 1 . . . A 68 MET HA . 18301 1 674 . 1 1 68 68 MET HB2 H 1 2.354 0.040 . 2 . . . A 68 MET HB2 . 18301 1 675 . 1 1 68 68 MET HB3 H 1 2.354 0.040 . 2 . . . A 68 MET HB3 . 18301 1 676 . 1 1 68 68 MET HG2 H 1 2.620 0.040 . 2 . . . A 68 MET HG2 . 18301 1 677 . 1 1 68 68 MET HG3 H 1 3.020 0.040 . 2 . . . A 68 MET HG3 . 18301 1 678 . 1 1 68 68 MET C C 13 176.064 0.300 . 1 . . . A 68 MET C . 18301 1 679 . 1 1 68 68 MET CA C 13 56.672 0.400 . 1 . . . A 68 MET CA . 18301 1 680 . 1 1 68 68 MET CB C 13 33.933 0.400 . 1 . . . A 68 MET CB . 18301 1 681 . 1 1 68 68 MET CG C 13 32.543 0.400 . 1 . . . A 68 MET CG . 18301 1 682 . 1 1 68 68 MET N N 15 116.510 0.300 . 1 . . . A 68 MET N . 18301 1 683 . 1 1 69 69 GLY H H 1 8.049 0.030 . 1 . . . A 69 GLY H . 18301 1 684 . 1 1 69 69 GLY HA2 H 1 4.036 0.040 . 2 . . . A 69 GLY HA2 . 18301 1 685 . 1 1 69 69 GLY HA3 H 1 3.582 0.040 . 2 . . . A 69 GLY HA3 . 18301 1 686 . 1 1 69 69 GLY C C 13 173.640 0.300 . 1 . . . A 69 GLY C . 18301 1 687 . 1 1 69 69 GLY CA C 13 44.756 0.400 . 1 . . . A 69 GLY CA . 18301 1 688 . 1 1 69 69 GLY N N 15 105.290 0.300 . 1 . . . A 69 GLY N . 18301 1 689 . 1 1 70 70 PHE H H 1 6.689 0.030 . 1 . . . A 70 PHE H . 18301 1 690 . 1 1 70 70 PHE HA H 1 4.736 0.040 . 1 . . . A 70 PHE HA . 18301 1 691 . 1 1 70 70 PHE HB2 H 1 3.281 0.040 . 2 . . . A 70 PHE HB2 . 18301 1 692 . 1 1 70 70 PHE HB3 H 1 2.342 0.040 . 2 . . . A 70 PHE HB3 . 18301 1 693 . 1 1 70 70 PHE HD1 H 1 7.060 0.040 . 3 . . . A 70 PHE HD1 . 18301 1 694 . 1 1 70 70 PHE HD2 H 1 7.060 0.040 . 3 . . . A 70 PHE HD2 . 18301 1 695 . 1 1 70 70 PHE C C 13 172.772 0.300 . 1 . . . A 70 PHE C . 18301 1 696 . 1 1 70 70 PHE CA C 13 56.859 0.400 . 1 . . . A 70 PHE CA . 18301 1 697 . 1 1 70 70 PHE CB C 13 40.570 0.400 . 1 . . . A 70 PHE CB . 18301 1 698 . 1 1 70 70 PHE N N 15 118.850 0.300 . 1 . . . A 70 PHE N . 18301 1 699 . 1 1 71 71 GLU H H 1 8.030 0.030 . 1 . . . A 71 GLU H . 18301 1 700 . 1 1 71 71 GLU HA H 1 4.710 0.040 . 1 . . . A 71 GLU HA . 18301 1 701 . 1 1 71 71 GLU HB2 H 1 1.914 0.040 . 2 . . . A 71 GLU HB2 . 18301 1 702 . 1 1 71 71 GLU HB3 H 1 1.867 0.040 . 2 . . . A 71 GLU HB3 . 18301 1 703 . 1 1 71 71 GLU HG2 H 1 2.187 0.040 . 2 . . . A 71 GLU HG2 . 18301 1 704 . 1 1 71 71 GLU HG3 H 1 2.138 0.040 . 2 . . . A 71 GLU HG3 . 18301 1 705 . 1 1 71 71 GLU C C 13 175.370 0.300 . 1 . . . A 71 GLU C . 18301 1 706 . 1 1 71 71 GLU CA C 13 55.899 0.400 . 1 . . . A 71 GLU CA . 18301 1 707 . 1 1 71 71 GLU CB C 13 30.709 0.400 . 1 . . . A 71 GLU CB . 18301 1 708 . 1 1 71 71 GLU CG C 13 35.670 0.400 . 1 . . . A 71 GLU CG . 18301 1 709 . 1 1 71 71 GLU N N 15 118.550 0.300 . 1 . . . A 71 GLU N . 18301 1 710 . 1 1 72 72 ALA H H 1 9.580 0.030 . 1 . . . A 72 ALA H . 18301 1 711 . 1 1 72 72 ALA HA H 1 5.916 0.040 . 1 . . . A 72 ALA HA . 18301 1 712 . 1 1 72 72 ALA HB1 H 1 1.284 0.040 . 1 . . . A 72 ALA HB1 . 18301 1 713 . 1 1 72 72 ALA HB2 H 1 1.284 0.040 . 1 . . . A 72 ALA HB2 . 18301 1 714 . 1 1 72 72 ALA HB3 H 1 1.284 0.040 . 1 . . . A 72 ALA HB3 . 18301 1 715 . 1 1 72 72 ALA C C 13 176.245 0.300 . 1 . . . A 72 ALA C . 18301 1 716 . 1 1 72 72 ALA CA C 13 49.669 0.400 . 1 . . . A 72 ALA CA . 18301 1 717 . 1 1 72 72 ALA CB C 13 22.495 0.400 . 1 . . . A 72 ALA CB . 18301 1 718 . 1 1 72 72 ALA N N 15 129.745 0.300 . 1 . . . A 72 ALA N . 18301 1 719 . 1 1 73 73 ALA H H 1 8.633 0.030 . 1 . . . A 73 ALA H . 18301 1 720 . 1 1 73 73 ALA HA H 1 4.521 0.040 . 1 . . . A 73 ALA HA . 18301 1 721 . 1 1 73 73 ALA HB1 H 1 1.324 0.040 . 1 . . . A 73 ALA HB1 . 18301 1 722 . 1 1 73 73 ALA HB2 H 1 1.324 0.040 . 1 . . . A 73 ALA HB2 . 18301 1 723 . 1 1 73 73 ALA HB3 H 1 1.324 0.040 . 1 . . . A 73 ALA HB3 . 18301 1 724 . 1 1 73 73 ALA C C 13 176.162 0.300 . 1 . . . A 73 ALA C . 18301 1 725 . 1 1 73 73 ALA CA C 13 50.743 0.400 . 1 . . . A 73 ALA CA . 18301 1 726 . 1 1 73 73 ALA CB C 13 22.629 0.400 . 1 . . . A 73 ALA CB . 18301 1 727 . 1 1 73 73 ALA N N 15 121.581 0.300 . 1 . . . A 73 ALA N . 18301 1 728 . 1 1 74 74 ILE H H 1 8.962 0.030 . 1 . . . A 74 ILE H . 18301 1 729 . 1 1 74 74 ILE HA H 1 3.994 0.040 . 1 . . . A 74 ILE HA . 18301 1 730 . 1 1 74 74 ILE HB H 1 1.680 0.040 . 1 . . . A 74 ILE HB . 18301 1 731 . 1 1 74 74 ILE HG12 H 1 1.480 0.040 . 2 . . . A 74 ILE HG12 . 18301 1 732 . 1 1 74 74 ILE HG13 H 1 1.480 0.040 . 2 . . . A 74 ILE HG13 . 18301 1 733 . 1 1 74 74 ILE HG21 H 1 0.922 0.040 . 1 . . . A 74 ILE HG21 . 18301 1 734 . 1 1 74 74 ILE HG22 H 1 0.922 0.040 . 1 . . . A 74 ILE HG22 . 18301 1 735 . 1 1 74 74 ILE HG23 H 1 0.922 0.040 . 1 . . . A 74 ILE HG23 . 18301 1 736 . 1 1 74 74 ILE C C 13 176.217 0.300 . 1 . . . A 74 ILE C . 18301 1 737 . 1 1 74 74 ILE CA C 13 63.331 0.400 . 1 . . . A 74 ILE CA . 18301 1 738 . 1 1 74 74 ILE CB C 13 38.311 0.400 . 1 . . . A 74 ILE CB . 18301 1 739 . 1 1 74 74 ILE CG1 C 13 29.821 0.400 . 1 . . . A 74 ILE CG1 . 18301 1 740 . 1 1 74 74 ILE CG2 C 13 17.540 0.300 . 1 . . . A 74 ILE CG2 . 18301 1 741 . 1 1 74 74 ILE CD1 C 13 13.772 0.400 . 1 . . . A 74 ILE CD1 . 18301 1 742 . 1 1 74 74 ILE N N 15 123.360 0.300 . 1 . . . A 74 ILE N . 18301 1 743 . 1 1 75 75 LYS H H 1 8.842 0.030 . 1 . . . A 75 LYS H . 18301 1 744 . 1 1 75 75 LYS HA H 1 4.553 0.040 . 1 . . . A 75 LYS HA . 18301 1 745 . 1 1 75 75 LYS HB2 H 1 1.737 0.040 . 2 . . . A 75 LYS HB2 . 18301 1 746 . 1 1 75 75 LYS HB3 H 1 1.850 0.040 . 2 . . . A 75 LYS HB3 . 18301 1 747 . 1 1 75 75 LYS HD2 H 1 1.487 0.040 . 2 . . . A 75 LYS HD2 . 18301 1 748 . 1 1 75 75 LYS HD3 H 1 1.392 0.040 . 2 . . . A 75 LYS HD3 . 18301 1 749 . 1 1 75 75 LYS C C 13 175.217 0.300 . 1 . . . A 75 LYS C . 18301 1 750 . 1 1 75 75 LYS CA C 13 56.457 0.400 . 1 . . . A 75 LYS CA . 18301 1 751 . 1 1 75 75 LYS CB C 13 33.272 0.400 . 1 . . . A 75 LYS CB . 18301 1 752 . 1 1 75 75 LYS CG C 13 25.425 0.400 . 1 . . . A 75 LYS CG . 18301 1 753 . 1 1 75 75 LYS CD C 13 29.751 0.400 . 1 . . . A 75 LYS CD . 18301 1 754 . 1 1 75 75 LYS CE C 13 41.684 0.400 . 1 . . . A 75 LYS CE . 18301 1 755 . 1 1 75 75 LYS N N 15 130.310 0.300 . 1 . . . A 75 LYS N . 18301 1 756 . 1 1 76 76 SER H H 1 8.150 0.030 . 1 . . . A 76 SER H . 18301 1 757 . 1 1 76 76 SER HA H 1 4.317 0.040 . 1 . . . A 76 SER HA . 18301 1 758 . 1 1 76 76 SER HB2 H 1 3.860 0.040 . 2 . . . A 76 SER HB2 . 18301 1 759 . 1 1 76 76 SER HB3 H 1 3.860 0.040 . 2 . . . A 76 SER HB3 . 18301 1 760 . 1 1 76 76 SER C C 13 178.759 0.300 . 1 . . . A 76 SER C . 18301 1 761 . 1 1 76 76 SER CA C 13 60.066 0.400 . 1 . . . A 76 SER CA . 18301 1 762 . 1 1 76 76 SER CB C 13 64.591 0.400 . 1 . . . A 76 SER CB . 18301 1 763 . 1 1 76 76 SER N N 15 123.550 0.300 . 1 . . . A 76 SER N . 18301 1 stop_ save_