data_19841 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19841 _Entry.Title ; Solution Structures of active Ptr ToxB and its Inactive Ortholog ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2014-03-06 _Entry.Accession_date 2014-03-06 _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 Afua Nyarko . . . 19841 2 Kiran Singarapu . . . 19841 3 Melania Figueroa . . . 19841 4 Viola Manning . . . 19841 5 Iovanna Pandelova . . . 19841 6 Thomas Wolpert . . . 19841 7 Lynda Ciuffetti . . . 19841 8 Elisar Barbar . . . 19841 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' . 19841 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID protein . 19841 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19841 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 192 19841 '15N chemical shifts' 69 19841 '1H chemical shifts' 426 19841 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 . . 2014-09-29 2014-03-06 update BMRB 'update entry citation' 19841 1 . . 2014-08-04 2014-03-06 original author 'original release' 19841 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 19840 ToxB 19841 PDB 2MM2 'BMRB Entry Tracking System' 19841 stop_ save_ ############### # Citations # ############### save_citations _Citation.Sf_category citations _Citation.Sf_framecode citations _Citation.Entry_ID 19841 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI 10.1074/jbc.M114.569103 _Citation.PubMed_ID 25063993 _Citation.Full_citation . _Citation.Title 'Solution NMR Structures of Pyrenophora tritici-repentis ToxB and Its Inactive Homolog Reveal Potential Determinants of Toxin Activity.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full 'The Journal of biological chemistry' _Citation.Journal_volume 289 _Citation.Journal_issue 37 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1083-351X _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 25946 _Citation.Page_last 25956 _Citation.Year 2014 _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 Afua Nyarko A. . . 19841 1 2 Kiran Singarapu K. K. . 19841 1 3 Melania Figueroa M. . . 19841 1 4 Viola Manning V. A. . 19841 1 5 Iovanna Pandelova I. . . 19841 1 6 Thomas Wolpert T. J. . 19841 1 7 Lynda Ciuffetti L. M. . 19841 1 8 Elisar Barbar E. . . 19841 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19841 _Assembly.ID 1 _Assembly.Name 'Ptr ToxB' _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 'Ptr ToxB' 1 $entity A . yes native no no . . . 19841 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 . 1 CYS 2 2 SG . 1 . 1 CYS 43 43 SG . . . . . . . . . . 19841 1 2 disulfide single . 1 . 1 CYS 18 18 SG . 1 . 1 CYS 65 65 SG . . . . . . . . . . 19841 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 19841 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity _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 ; NCTANILNINEVVIATGCVP AGGNLIIRVGSDHSYLIRAT VSCGLSLNPSQSFINGESLA SGGRC ; _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 65 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 6623.537 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 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 2MM2 . "Solution Structures Of Active Ptr Toxb And Its Inactive Homolog Highlight Protein Dynamics As A Modulator Of Toxin Activity" . . . . . 100.00 65 100.00 100.00 2.63e-36 . . . . 19841 1 2 no GB AAM00019 . "toxb precursor [Pyrenophora tritici-repentis]" . . . . . 100.00 88 100.00 100.00 5.46e-37 . . . . 19841 1 3 no GB AAO49372 . "ToxB [Pyrenophora tritici-repentis]" . . . . . 100.00 80 100.00 100.00 8.07e-37 . . . . 19841 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 1 ASN . 19841 1 2 2 CYS . 19841 1 3 3 THR . 19841 1 4 4 ALA . 19841 1 5 5 ASN . 19841 1 6 6 ILE . 19841 1 7 7 LEU . 19841 1 8 8 ASN . 19841 1 9 9 ILE . 19841 1 10 10 ASN . 19841 1 11 11 GLU . 19841 1 12 12 VAL . 19841 1 13 13 VAL . 19841 1 14 14 ILE . 19841 1 15 15 ALA . 19841 1 16 16 THR . 19841 1 17 17 GLY . 19841 1 18 18 CYS . 19841 1 19 19 VAL . 19841 1 20 20 PRO . 19841 1 21 21 ALA . 19841 1 22 22 GLY . 19841 1 23 23 GLY . 19841 1 24 24 ASN . 19841 1 25 25 LEU . 19841 1 26 26 ILE . 19841 1 27 27 ILE . 19841 1 28 28 ARG . 19841 1 29 29 VAL . 19841 1 30 30 GLY . 19841 1 31 31 SER . 19841 1 32 32 ASP . 19841 1 33 33 HIS . 19841 1 34 34 SER . 19841 1 35 35 TYR . 19841 1 36 36 LEU . 19841 1 37 37 ILE . 19841 1 38 38 ARG . 19841 1 39 39 ALA . 19841 1 40 40 THR . 19841 1 41 41 VAL . 19841 1 42 42 SER . 19841 1 43 43 CYS . 19841 1 44 44 GLY . 19841 1 45 45 LEU . 19841 1 46 46 SER . 19841 1 47 47 LEU . 19841 1 48 48 ASN . 19841 1 49 49 PRO . 19841 1 50 50 SER . 19841 1 51 51 GLN . 19841 1 52 52 SER . 19841 1 53 53 PHE . 19841 1 54 54 ILE . 19841 1 55 55 ASN . 19841 1 56 56 GLY . 19841 1 57 57 GLU . 19841 1 58 58 SER . 19841 1 59 59 LEU . 19841 1 60 60 ALA . 19841 1 61 61 SER . 19841 1 62 62 GLY . 19841 1 63 63 GLY . 19841 1 64 64 ARG . 19841 1 65 65 CYS . 19841 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 . ASN 1 1 19841 1 . CYS 2 2 19841 1 . THR 3 3 19841 1 . ALA 4 4 19841 1 . ASN 5 5 19841 1 . ILE 6 6 19841 1 . LEU 7 7 19841 1 . ASN 8 8 19841 1 . ILE 9 9 19841 1 . ASN 10 10 19841 1 . GLU 11 11 19841 1 . VAL 12 12 19841 1 . VAL 13 13 19841 1 . ILE 14 14 19841 1 . ALA 15 15 19841 1 . THR 16 16 19841 1 . GLY 17 17 19841 1 . CYS 18 18 19841 1 . VAL 19 19 19841 1 . PRO 20 20 19841 1 . ALA 21 21 19841 1 . GLY 22 22 19841 1 . GLY 23 23 19841 1 . ASN 24 24 19841 1 . LEU 25 25 19841 1 . ILE 26 26 19841 1 . ILE 27 27 19841 1 . ARG 28 28 19841 1 . VAL 29 29 19841 1 . GLY 30 30 19841 1 . SER 31 31 19841 1 . ASP 32 32 19841 1 . HIS 33 33 19841 1 . SER 34 34 19841 1 . TYR 35 35 19841 1 . LEU 36 36 19841 1 . ILE 37 37 19841 1 . ARG 38 38 19841 1 . ALA 39 39 19841 1 . THR 40 40 19841 1 . VAL 41 41 19841 1 . SER 42 42 19841 1 . CYS 43 43 19841 1 . GLY 44 44 19841 1 . LEU 45 45 19841 1 . SER 46 46 19841 1 . LEU 47 47 19841 1 . ASN 48 48 19841 1 . PRO 49 49 19841 1 . SER 50 50 19841 1 . GLN 51 51 19841 1 . SER 52 52 19841 1 . PHE 53 53 19841 1 . ILE 54 54 19841 1 . ASN 55 55 19841 1 . GLY 56 56 19841 1 . GLU 57 57 19841 1 . SER 58 58 19841 1 . LEU 59 59 19841 1 . ALA 60 60 19841 1 . SER 61 61 19841 1 . GLY 62 62 19841 1 . GLY 63 63 19841 1 . ARG 64 64 19841 1 . CYS 65 65 19841 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 19841 _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 $entity . 4565 organism . 'Triticum aestivum' 'Bread wheat' . . Eukaryota Viridiplantae Triticum aestivum . . . . . . . . . . . . . . . . . . . . $citations 19841 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 19841 _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 $entity . 'recombinant technology' 'Pichia pastoris' . . . Pichia pastoris . . . . . . . . . . . . . . . . pCM10 . . . . . $citations 19841 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 19841 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 D2O 'natural abundance' . . . . . . 10 . . % . . . . 19841 1 2 'sodium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 19841 1 3 H2O 'natural abundance' . . . . . . 90 . . % . . . . 19841 1 4 entity '[U-13C; U-15N]' . . 1 $entity . . 0.5 . . mM . . . . 19841 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 19841 _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' 10 . mM 19841 1 pH 6.0 . pH 19841 1 pressure 1 . atm 19841 1 temperature 273 . K 19841 1 stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 19841 _Software.ID 1 _Software.Name CYANA _Software.Version 3.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 19841 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 19841 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 19841 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 19841 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 19841 _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 DRX . 600 . . . 19841 1 2 spectrometer_2 Bruker DRX . 700 . . . 19841 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 19841 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19841 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19841 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19841 1 4 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19841 1 5 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19841 1 6 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19841 1 7 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19841 1 8 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19841 1 9 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19841 1 10 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19841 1 11 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19841 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 19841 _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 . . . . . . . . . 19841 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 19841 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 19841 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 19841 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 19841 1 2 '2D 1H-13C HSQC' . . . 19841 1 3 '3D CBCA(CO)NH' . . . 19841 1 4 '3D HBHA(CO)NH' . . . 19841 1 5 '3D H(CCO)NH' . . . 19841 1 6 '3D C(CO)NH' . . . 19841 1 7 '3D HCCH-TOCSY' . . . 19841 1 8 '3D HNCO' . . . 19841 1 9 '3D HNCACB' . . . 19841 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 ASN HA H 1 4.252 0.005 . 1 . . . A 1 ASN HA . 19841 1 2 . 1 1 1 1 ASN HB2 H 1 2.644 0.009 . 2 . . . A 1 ASN HB2 . 19841 1 3 . 1 1 1 1 ASN HB3 H 1 2.764 0.007 . 2 . . . A 1 ASN HB3 . 19841 1 4 . 1 1 1 1 ASN CA C 13 53.867 0.000 . 1 . . . A 1 ASN CA . 19841 1 5 . 1 1 1 1 ASN CB C 13 40.565 0.000 . 1 . . . A 1 ASN CB . 19841 1 6 . 1 1 2 2 CYS H H 1 8.795 0.004 . 1 . . . A 2 CYS H . 19841 1 7 . 1 1 2 2 CYS HA H 1 4.995 0.006 . 1 . . . A 2 CYS HA . 19841 1 8 . 1 1 2 2 CYS HB2 H 1 3.182 0.003 . 2 . . . A 2 CYS HB2 . 19841 1 9 . 1 1 2 2 CYS HB3 H 1 2.501 0.007 . 2 . . . A 2 CYS HB3 . 19841 1 10 . 1 1 2 2 CYS CA C 13 53.145 0.000 . 1 . . . A 2 CYS CA . 19841 1 11 . 1 1 2 2 CYS CB C 13 39.052 0.000 . 1 . . . A 2 CYS CB . 19841 1 12 . 1 1 2 2 CYS N N 15 119.710 0.000 . 1 . . . A 2 CYS N . 19841 1 13 . 1 1 3 3 THR H H 1 8.661 0.004 . 1 . . . A 3 THR H . 19841 1 14 . 1 1 3 3 THR HA H 1 4.414 0.005 . 1 . . . A 3 THR HA . 19841 1 15 . 1 1 3 3 THR HB H 1 3.563 0.009 . 1 . . . A 3 THR HB . 19841 1 16 . 1 1 3 3 THR HG21 H 1 0.919 0.007 . 1 . . . A 3 THR HG21 . 19841 1 17 . 1 1 3 3 THR HG22 H 1 0.919 0.007 . 1 . . . A 3 THR HG22 . 19841 1 18 . 1 1 3 3 THR HG23 H 1 0.919 0.007 . 1 . . . A 3 THR HG23 . 19841 1 19 . 1 1 3 3 THR CA C 13 64.657 0.000 . 1 . . . A 3 THR CA . 19841 1 20 . 1 1 3 3 THR CB C 13 67.799 0.000 . 1 . . . A 3 THR CB . 19841 1 21 . 1 1 3 3 THR CG2 C 13 22.207 0.000 . 1 . . . A 3 THR CG2 . 19841 1 22 . 1 1 3 3 THR N N 15 125.371 0.000 . 1 . . . A 3 THR N . 19841 1 23 . 1 1 4 4 ALA H H 1 9.399 0.008 . 1 . . . A 4 ALA H . 19841 1 24 . 1 1 4 4 ALA HA H 1 4.696 0.000 . 1 . . . A 4 ALA HA . 19841 1 25 . 1 1 4 4 ALA HB1 H 1 1.096 0.005 . 1 . . . A 4 ALA HB1 . 19841 1 26 . 1 1 4 4 ALA HB2 H 1 1.096 0.005 . 1 . . . A 4 ALA HB2 . 19841 1 27 . 1 1 4 4 ALA HB3 H 1 1.096 0.005 . 1 . . . A 4 ALA HB3 . 19841 1 28 . 1 1 4 4 ALA CA C 13 49.089 0.000 . 1 . . . A 4 ALA CA . 19841 1 29 . 1 1 4 4 ALA CB C 13 22.500 0.000 . 1 . . . A 4 ALA CB . 19841 1 30 . 1 1 4 4 ALA N N 15 134.190 0.000 . 1 . . . A 4 ALA N . 19841 1 31 . 1 1 5 5 ASN H H 1 8.835 0.014 . 1 . . . A 5 ASN H . 19841 1 32 . 1 1 5 5 ASN HA H 1 5.501 0.005 . 1 . . . A 5 ASN HA . 19841 1 33 . 1 1 5 5 ASN HB2 H 1 2.506 0.002 . 2 . . . A 5 ASN HB2 . 19841 1 34 . 1 1 5 5 ASN HB3 H 1 2.371 0.002 . 2 . . . A 5 ASN HB3 . 19841 1 35 . 1 1 5 5 ASN HD21 H 1 6.759 0.010 . 2 . . . A 5 ASN HD21 . 19841 1 36 . 1 1 5 5 ASN HD22 H 1 7.454 0.008 . 2 . . . A 5 ASN HD22 . 19841 1 37 . 1 1 5 5 ASN CA C 13 50.594 0.000 . 1 . . . A 5 ASN CA . 19841 1 38 . 1 1 5 5 ASN CB C 13 40.703 0.000 . 1 . . . A 5 ASN CB . 19841 1 39 . 1 1 5 5 ASN N N 15 118.868 0.000 . 1 . . . A 5 ASN N . 19841 1 40 . 1 1 5 5 ASN ND2 N 15 110.341 0.000 . 1 . . . A 5 ASN ND2 . 19841 1 41 . 1 1 6 6 ILE H H 1 8.916 0.003 . 1 . . . A 6 ILE H . 19841 1 42 . 1 1 6 6 ILE HA H 1 5.030 0.002 . 1 . . . A 6 ILE HA . 19841 1 43 . 1 1 6 6 ILE HB H 1 2.048 0.003 . 1 . . . A 6 ILE HB . 19841 1 44 . 1 1 6 6 ILE HG12 H 1 1.525 0.006 . 2 . . . A 6 ILE HG12 . 19841 1 45 . 1 1 6 6 ILE HG13 H 1 1.235 0.002 . 2 . . . A 6 ILE HG13 . 19841 1 46 . 1 1 6 6 ILE HG21 H 1 1.056 0.004 . 1 . . . A 6 ILE HG21 . 19841 1 47 . 1 1 6 6 ILE HG22 H 1 1.056 0.004 . 1 . . . A 6 ILE HG22 . 19841 1 48 . 1 1 6 6 ILE HG23 H 1 1.056 0.004 . 1 . . . A 6 ILE HG23 . 19841 1 49 . 1 1 6 6 ILE HD11 H 1 0.744 0.003 . 1 . . . A 6 ILE HD11 . 19841 1 50 . 1 1 6 6 ILE HD12 H 1 0.744 0.003 . 1 . . . A 6 ILE HD12 . 19841 1 51 . 1 1 6 6 ILE HD13 H 1 0.744 0.003 . 1 . . . A 6 ILE HD13 . 19841 1 52 . 1 1 6 6 ILE CA C 13 56.452 0.000 . 1 . . . A 6 ILE CA . 19841 1 53 . 1 1 6 6 ILE CB C 13 35.576 0.000 . 1 . . . A 6 ILE CB . 19841 1 54 . 1 1 6 6 ILE CG1 C 13 26.763 0.000 . 1 . . . A 6 ILE CG1 . 19841 1 55 . 1 1 6 6 ILE CG2 C 13 17.041 0.000 . 1 . . . A 6 ILE CG2 . 19841 1 56 . 1 1 6 6 ILE CD1 C 13 9.140 0.000 . 1 . . . A 6 ILE CD1 . 19841 1 57 . 1 1 6 6 ILE N N 15 121.385 0.000 . 1 . . . A 6 ILE N . 19841 1 58 . 1 1 7 7 LEU H H 1 9.021 0.002 . 1 . . . A 7 LEU H . 19841 1 59 . 1 1 7 7 LEU HA H 1 5.171 0.002 . 1 . . . A 7 LEU HA . 19841 1 60 . 1 1 7 7 LEU HB2 H 1 1.579 0.011 . 2 . . . A 7 LEU HB2 . 19841 1 61 . 1 1 7 7 LEU HB3 H 1 1.178 0.005 . 2 . . . A 7 LEU HB3 . 19841 1 62 . 1 1 7 7 LEU HG H 1 1.263 0.002 . 1 . . . A 7 LEU HG . 19841 1 63 . 1 1 7 7 LEU HD11 H 1 0.604 0.004 . 2 . . . A 7 LEU HD11 . 19841 1 64 . 1 1 7 7 LEU HD12 H 1 0.604 0.004 . 2 . . . A 7 LEU HD12 . 19841 1 65 . 1 1 7 7 LEU HD13 H 1 0.604 0.004 . 2 . . . A 7 LEU HD13 . 19841 1 66 . 1 1 7 7 LEU HD21 H 1 0.509 0.004 . 2 . . . A 7 LEU HD21 . 19841 1 67 . 1 1 7 7 LEU HD22 H 1 0.509 0.004 . 2 . . . A 7 LEU HD22 . 19841 1 68 . 1 1 7 7 LEU HD23 H 1 0.509 0.004 . 2 . . . A 7 LEU HD23 . 19841 1 69 . 1 1 7 7 LEU CA C 13 52.431 0.000 . 1 . . . A 7 LEU CA . 19841 1 70 . 1 1 7 7 LEU CB C 13 43.684 0.000 . 1 . . . A 7 LEU CB . 19841 1 71 . 1 1 7 7 LEU CG C 13 27.639 0.019 . 1 . . . A 7 LEU CG . 19841 1 72 . 1 1 7 7 LEU CD1 C 13 25.220 0.000 . 2 . . . A 7 LEU CD1 . 19841 1 73 . 1 1 7 7 LEU CD2 C 13 24.391 0.000 . 2 . . . A 7 LEU CD2 . 19841 1 74 . 1 1 7 7 LEU N N 15 127.946 0.000 . 1 . . . A 7 LEU N . 19841 1 75 . 1 1 8 8 ASN H H 1 8.420 0.008 . 1 . . . A 8 ASN H . 19841 1 76 . 1 1 8 8 ASN HA H 1 4.761 0.004 . 1 . . . A 8 ASN HA . 19841 1 77 . 1 1 8 8 ASN HB2 H 1 2.976 0.004 . 2 . . . A 8 ASN HB2 . 19841 1 78 . 1 1 8 8 ASN HB3 H 1 3.616 0.005 . 2 . . . A 8 ASN HB3 . 19841 1 79 . 1 1 8 8 ASN HD21 H 1 7.045 0.006 . 2 . . . A 8 ASN HD21 . 19841 1 80 . 1 1 8 8 ASN HD22 H 1 7.729 0.007 . 2 . . . A 8 ASN HD22 . 19841 1 81 . 1 1 8 8 ASN CA C 13 50.116 0.000 . 1 . . . A 8 ASN CA . 19841 1 82 . 1 1 8 8 ASN CB C 13 39.010 0.000 . 1 . . . A 8 ASN CB . 19841 1 83 . 1 1 8 8 ASN N N 15 115.019 0.000 . 1 . . . A 8 ASN N . 19841 1 84 . 1 1 8 8 ASN ND2 N 15 111.003 0.000 . 1 . . . A 8 ASN ND2 . 19841 1 85 . 1 1 9 9 ILE H H 1 8.603 0.006 . 1 . . . A 9 ILE H . 19841 1 86 . 1 1 9 9 ILE HA H 1 3.968 0.002 . 1 . . . A 9 ILE HA . 19841 1 87 . 1 1 9 9 ILE HB H 1 1.853 0.004 . 1 . . . A 9 ILE HB . 19841 1 88 . 1 1 9 9 ILE HG12 H 1 1.518 0.008 . 2 . . . A 9 ILE HG12 . 19841 1 89 . 1 1 9 9 ILE HG13 H 1 1.289 0.001 . 2 . . . A 9 ILE HG13 . 19841 1 90 . 1 1 9 9 ILE HG21 H 1 0.813 0.003 . 1 . . . A 9 ILE HG21 . 19841 1 91 . 1 1 9 9 ILE HG22 H 1 0.813 0.003 . 1 . . . A 9 ILE HG22 . 19841 1 92 . 1 1 9 9 ILE HG23 H 1 0.813 0.003 . 1 . . . A 9 ILE HG23 . 19841 1 93 . 1 1 9 9 ILE HD11 H 1 0.846 0.011 . 1 . . . A 9 ILE HD11 . 19841 1 94 . 1 1 9 9 ILE HD12 H 1 0.846 0.011 . 1 . . . A 9 ILE HD12 . 19841 1 95 . 1 1 9 9 ILE HD13 H 1 0.846 0.011 . 1 . . . A 9 ILE HD13 . 19841 1 96 . 1 1 9 9 ILE CA C 13 63.440 0.000 . 1 . . . A 9 ILE CA . 19841 1 97 . 1 1 9 9 ILE CB C 13 38.455 0.000 . 1 . . . A 9 ILE CB . 19841 1 98 . 1 1 9 9 ILE CG1 C 13 28.661 0.000 . 1 . . . A 9 ILE CG1 . 19841 1 99 . 1 1 9 9 ILE CG2 C 13 16.151 0.000 . 1 . . . A 9 ILE CG2 . 19841 1 100 . 1 1 9 9 ILE CD1 C 13 13.874 0.000 . 1 . . . A 9 ILE CD1 . 19841 1 101 . 1 1 9 9 ILE N N 15 119.750 0.000 . 1 . . . A 9 ILE N . 19841 1 102 . 1 1 10 10 ASN H H 1 7.239 0.007 . 1 . . . A 10 ASN H . 19841 1 103 . 1 1 10 10 ASN HA H 1 4.857 0.008 . 1 . . . A 10 ASN HA . 19841 1 104 . 1 1 10 10 ASN HB2 H 1 2.445 0.001 . 2 . . . A 10 ASN HB2 . 19841 1 105 . 1 1 10 10 ASN HB3 H 1 3.028 0.002 . 2 . . . A 10 ASN HB3 . 19841 1 106 . 1 1 10 10 ASN HD21 H 1 7.434 0.006 . 2 . . . A 10 ASN HD21 . 19841 1 107 . 1 1 10 10 ASN HD22 H 1 6.850 0.012 . 2 . . . A 10 ASN HD22 . 19841 1 108 . 1 1 10 10 ASN CA C 13 52.584 0.000 . 1 . . . A 10 ASN CA . 19841 1 109 . 1 1 10 10 ASN CB C 13 38.816 0.000 . 1 . . . A 10 ASN CB . 19841 1 110 . 1 1 10 10 ASN N N 15 117.730 0.000 . 1 . . . A 10 ASN N . 19841 1 111 . 1 1 10 10 ASN ND2 N 15 111.753 0.000 . 1 . . . A 10 ASN ND2 . 19841 1 112 . 1 1 11 11 GLU H H 1 8.203 0.013 . 1 . . . A 11 GLU H . 19841 1 113 . 1 1 11 11 GLU HA H 1 3.492 0.003 . 1 . . . A 11 GLU HA . 19841 1 114 . 1 1 11 11 GLU HB2 H 1 2.138 0.001 . 2 . . . A 11 GLU HB2 . 19841 1 115 . 1 1 11 11 GLU HB3 H 1 2.246 0.003 . 2 . . . A 11 GLU HB3 . 19841 1 116 . 1 1 11 11 GLU HG2 H 1 1.930 0.001 . 2 . . . A 11 GLU HG2 . 19841 1 117 . 1 1 11 11 GLU HG3 H 1 2.051 0.003 . 2 . . . A 11 GLU HG3 . 19841 1 118 . 1 1 11 11 GLU CA C 13 58.131 0.000 . 1 . . . A 11 GLU CA . 19841 1 119 . 1 1 11 11 GLU CB C 13 25.794 0.000 . 1 . . . A 11 GLU CB . 19841 1 120 . 1 1 11 11 GLU CG C 13 36.777 0.000 . 1 . . . A 11 GLU CG . 19841 1 121 . 1 1 11 11 GLU N N 15 111.489 0.000 . 1 . . . A 11 GLU N . 19841 1 122 . 1 1 12 12 VAL H H 1 7.541 0.005 . 1 . . . A 12 VAL H . 19841 1 123 . 1 1 12 12 VAL HA H 1 3.951 0.002 . 1 . . . A 12 VAL HA . 19841 1 124 . 1 1 12 12 VAL HB H 1 1.754 0.004 . 1 . . . A 12 VAL HB . 19841 1 125 . 1 1 12 12 VAL HG11 H 1 0.801 0.006 . 2 . . . A 12 VAL HG11 . 19841 1 126 . 1 1 12 12 VAL HG12 H 1 0.801 0.006 . 2 . . . A 12 VAL HG12 . 19841 1 127 . 1 1 12 12 VAL HG13 H 1 0.801 0.006 . 2 . . . A 12 VAL HG13 . 19841 1 128 . 1 1 12 12 VAL HG21 H 1 0.813 0.004 . 2 . . . A 12 VAL HG21 . 19841 1 129 . 1 1 12 12 VAL HG22 H 1 0.813 0.004 . 2 . . . A 12 VAL HG22 . 19841 1 130 . 1 1 12 12 VAL HG23 H 1 0.813 0.004 . 2 . . . A 12 VAL HG23 . 19841 1 131 . 1 1 12 12 VAL CA C 13 61.069 0.000 . 1 . . . A 12 VAL CA . 19841 1 132 . 1 1 12 12 VAL CB C 13 32.697 0.000 . 1 . . . A 12 VAL CB . 19841 1 133 . 1 1 12 12 VAL CG1 C 13 20.658 0.000 . 2 . . . A 12 VAL CG1 . 19841 1 134 . 1 1 12 12 VAL CG2 C 13 21.301 0.000 . 2 . . . A 12 VAL CG2 . 19841 1 135 . 1 1 12 12 VAL N N 15 120.210 0.000 . 1 . . . A 12 VAL N . 19841 1 136 . 1 1 13 13 VAL H H 1 8.488 0.007 . 1 . . . A 13 VAL H . 19841 1 137 . 1 1 13 13 VAL HA H 1 3.987 0.004 . 1 . . . A 13 VAL HA . 19841 1 138 . 1 1 13 13 VAL HB H 1 1.885 0.004 . 1 . . . A 13 VAL HB . 19841 1 139 . 1 1 13 13 VAL HG11 H 1 0.822 0.006 . 2 . . . A 13 VAL HG11 . 19841 1 140 . 1 1 13 13 VAL HG12 H 1 0.822 0.006 . 2 . . . A 13 VAL HG12 . 19841 1 141 . 1 1 13 13 VAL HG13 H 1 0.822 0.006 . 2 . . . A 13 VAL HG13 . 19841 1 142 . 1 1 13 13 VAL HG21 H 1 0.741 0.011 . 2 . . . A 13 VAL HG21 . 19841 1 143 . 1 1 13 13 VAL HG22 H 1 0.741 0.011 . 2 . . . A 13 VAL HG22 . 19841 1 144 . 1 1 13 13 VAL HG23 H 1 0.741 0.011 . 2 . . . A 13 VAL HG23 . 19841 1 145 . 1 1 13 13 VAL CA C 13 63.862 0.000 . 1 . . . A 13 VAL CA . 19841 1 146 . 1 1 13 13 VAL CB C 13 30.944 0.000 . 1 . . . A 13 VAL CB . 19841 1 147 . 1 1 13 13 VAL CG1 C 13 21.382 0.000 . 2 . . . A 13 VAL CG1 . 19841 1 148 . 1 1 13 13 VAL CG2 C 13 20.907 0.000 . 2 . . . A 13 VAL CG2 . 19841 1 149 . 1 1 13 13 VAL N N 15 125.991 0.000 . 1 . . . A 13 VAL N . 19841 1 150 . 1 1 14 14 ILE H H 1 9.172 0.007 . 1 . . . A 14 ILE H . 19841 1 151 . 1 1 14 14 ILE HA H 1 4.553 0.002 . 1 . . . A 14 ILE HA . 19841 1 152 . 1 1 14 14 ILE HB H 1 2.034 0.003 . 1 . . . A 14 ILE HB . 19841 1 153 . 1 1 14 14 ILE HG12 H 1 1.068 0.008 . 2 . . . A 14 ILE HG12 . 19841 1 154 . 1 1 14 14 ILE HG13 H 1 0.989 0.003 . 2 . . . A 14 ILE HG13 . 19841 1 155 . 1 1 14 14 ILE HG21 H 1 0.926 0.003 . 1 . . . A 14 ILE HG21 . 19841 1 156 . 1 1 14 14 ILE HG22 H 1 0.926 0.003 . 1 . . . A 14 ILE HG22 . 19841 1 157 . 1 1 14 14 ILE HG23 H 1 0.926 0.003 . 1 . . . A 14 ILE HG23 . 19841 1 158 . 1 1 14 14 ILE HD11 H 1 0.788 0.000 . 1 . . . A 14 ILE HD11 . 19841 1 159 . 1 1 14 14 ILE HD12 H 1 0.788 0.000 . 1 . . . A 14 ILE HD12 . 19841 1 160 . 1 1 14 14 ILE HD13 H 1 0.788 0.000 . 1 . . . A 14 ILE HD13 . 19841 1 161 . 1 1 14 14 ILE CA C 13 61.021 0.000 . 1 . . . A 14 ILE CA . 19841 1 162 . 1 1 14 14 ILE CB C 13 39.529 0.000 . 1 . . . A 14 ILE CB . 19841 1 163 . 1 1 14 14 ILE CG1 C 13 25.310 0.000 . 1 . . . A 14 ILE CG1 . 19841 1 164 . 1 1 14 14 ILE CG2 C 13 18.272 0.000 . 1 . . . A 14 ILE CG2 . 19841 1 165 . 1 1 14 14 ILE CD1 C 13 14.829 0.000 . 1 . . . A 14 ILE CD1 . 19841 1 166 . 1 1 14 14 ILE N N 15 121.875 0.000 . 1 . . . A 14 ILE N . 19841 1 167 . 1 1 15 15 ALA H H 1 7.921 0.006 . 1 . . . A 15 ALA H . 19841 1 168 . 1 1 15 15 ALA HA H 1 4.578 0.001 . 1 . . . A 15 ALA HA . 19841 1 169 . 1 1 15 15 ALA HB1 H 1 1.355 0.006 . 1 . . . A 15 ALA HB1 . 19841 1 170 . 1 1 15 15 ALA HB2 H 1 1.355 0.006 . 1 . . . A 15 ALA HB2 . 19841 1 171 . 1 1 15 15 ALA HB3 H 1 1.355 0.006 . 1 . . . A 15 ALA HB3 . 19841 1 172 . 1 1 15 15 ALA CA C 13 52.317 0.000 . 1 . . . A 15 ALA CA . 19841 1 173 . 1 1 15 15 ALA CB C 13 22.578 0.000 . 1 . . . A 15 ALA CB . 19841 1 174 . 1 1 15 15 ALA N N 15 123.505 0.000 . 1 . . . A 15 ALA N . 19841 1 175 . 1 1 16 16 THR H H 1 8.542 0.003 . 1 . . . A 16 THR H . 19841 1 176 . 1 1 16 16 THR HA H 1 5.662 0.006 . 1 . . . A 16 THR HA . 19841 1 177 . 1 1 16 16 THR HB H 1 3.925 0.004 . 1 . . . A 16 THR HB . 19841 1 178 . 1 1 16 16 THR HG21 H 1 1.003 0.005 . 1 . . . A 16 THR HG21 . 19841 1 179 . 1 1 16 16 THR HG22 H 1 1.003 0.005 . 1 . . . A 16 THR HG22 . 19841 1 180 . 1 1 16 16 THR HG23 H 1 1.003 0.005 . 1 . . . A 16 THR HG23 . 19841 1 181 . 1 1 16 16 THR CA C 13 59.540 0.000 . 1 . . . A 16 THR CA . 19841 1 182 . 1 1 16 16 THR CB C 13 70.587 0.000 . 1 . . . A 16 THR CB . 19841 1 183 . 1 1 16 16 THR CG2 C 13 18.767 0.000 . 1 . . . A 16 THR CG2 . 19841 1 184 . 1 1 16 16 THR N N 15 114.399 0.000 . 1 . . . A 16 THR N . 19841 1 185 . 1 1 17 17 GLY H H 1 8.652 0.004 . 1 . . . A 17 GLY H . 19841 1 186 . 1 1 17 17 GLY HA2 H 1 3.460 0.006 . 2 . . . A 17 GLY HA2 . 19841 1 187 . 1 1 17 17 GLY HA3 H 1 4.323 0.003 . 2 . . . A 17 GLY HA3 . 19841 1 188 . 1 1 17 17 GLY CA C 13 44.935 0.000 . 1 . . . A 17 GLY CA . 19841 1 189 . 1 1 17 17 GLY N N 15 111.198 0.000 . 1 . . . A 17 GLY N . 19841 1 190 . 1 1 18 18 CYS H H 1 8.614 0.007 . 1 . . . A 18 CYS H . 19841 1 191 . 1 1 18 18 CYS HA H 1 4.900 0.002 . 1 . . . A 18 CYS HA . 19841 1 192 . 1 1 18 18 CYS HB2 H 1 2.809 0.001 . 2 . . . A 18 CYS HB2 . 19841 1 193 . 1 1 18 18 CYS HB3 H 1 2.862 0.003 . 2 . . . A 18 CYS HB3 . 19841 1 194 . 1 1 18 18 CYS CA C 13 53.478 0.000 . 1 . . . A 18 CYS CA . 19841 1 195 . 1 1 18 18 CYS CB C 13 38.950 0.000 . 1 . . . A 18 CYS CB . 19841 1 196 . 1 1 18 18 CYS N N 15 121.320 0.000 . 1 . . . A 18 CYS N . 19841 1 197 . 1 1 19 19 VAL H H 1 9.171 0.002 . 1 . . . A 19 VAL H . 19841 1 198 . 1 1 19 19 VAL HA H 1 3.933 0.012 . 1 . . . A 19 VAL HA . 19841 1 199 . 1 1 19 19 VAL HB H 1 1.840 0.002 . 1 . . . A 19 VAL HB . 19841 1 200 . 1 1 19 19 VAL HG11 H 1 0.807 0.010 . 2 . . . A 19 VAL HG11 . 19841 1 201 . 1 1 19 19 VAL HG12 H 1 0.807 0.010 . 2 . . . A 19 VAL HG12 . 19841 1 202 . 1 1 19 19 VAL HG13 H 1 0.807 0.010 . 2 . . . A 19 VAL HG13 . 19841 1 203 . 1 1 19 19 VAL HG21 H 1 0.741 0.004 . 2 . . . A 19 VAL HG21 . 19841 1 204 . 1 1 19 19 VAL HG22 H 1 0.741 0.004 . 2 . . . A 19 VAL HG22 . 19841 1 205 . 1 1 19 19 VAL HG23 H 1 0.741 0.004 . 2 . . . A 19 VAL HG23 . 19841 1 206 . 1 1 19 19 VAL CA C 13 59.593 0.000 . 1 . . . A 19 VAL CA . 19841 1 207 . 1 1 19 19 VAL CB C 13 33.295 0.000 . 1 . . . A 19 VAL CB . 19841 1 208 . 1 1 19 19 VAL CG1 C 13 21.849 0.000 . 2 . . . A 19 VAL CG1 . 19841 1 209 . 1 1 19 19 VAL CG2 C 13 21.486 0.000 . 2 . . . A 19 VAL CG2 . 19841 1 210 . 1 1 19 19 VAL N N 15 131.277 0.000 . 1 . . . A 19 VAL N . 19841 1 211 . 1 1 20 20 PRO HA H 1 3.986 0.008 . 1 . . . A 20 PRO HA . 19841 1 212 . 1 1 20 20 PRO HB2 H 1 1.592 0.004 . 2 . . . A 20 PRO HB2 . 19841 1 213 . 1 1 20 20 PRO HB3 H 1 2.206 0.000 . 2 . . . A 20 PRO HB3 . 19841 1 214 . 1 1 20 20 PRO HG2 H 1 2.142 0.011 . 2 . . . A 20 PRO HG2 . 19841 1 215 . 1 1 20 20 PRO HG3 H 1 1.917 0.000 . 2 . . . A 20 PRO HG3 . 19841 1 216 . 1 1 20 20 PRO HD2 H 1 3.889 0.004 . 2 . . . A 20 PRO HD2 . 19841 1 217 . 1 1 20 20 PRO HD3 H 1 3.367 0.002 . 2 . . . A 20 PRO HD3 . 19841 1 218 . 1 1 20 20 PRO CA C 13 62.240 0.000 . 1 . . . A 20 PRO CA . 19841 1 219 . 1 1 20 20 PRO CB C 13 31.967 0.000 . 1 . . . A 20 PRO CB . 19841 1 220 . 1 1 20 20 PRO CG C 13 27.741 0.000 . 1 . . . A 20 PRO CG . 19841 1 221 . 1 1 20 20 PRO CD C 13 51.156 0.000 . 1 . . . A 20 PRO CD . 19841 1 222 . 1 1 21 21 ALA H H 1 8.236 0.003 . 1 . . . A 21 ALA H . 19841 1 223 . 1 1 21 21 ALA HA H 1 3.858 0.005 . 1 . . . A 21 ALA HA . 19841 1 224 . 1 1 21 21 ALA HB1 H 1 1.371 0.003 . 1 . . . A 21 ALA HB1 . 19841 1 225 . 1 1 21 21 ALA HB2 H 1 1.371 0.003 . 1 . . . A 21 ALA HB2 . 19841 1 226 . 1 1 21 21 ALA HB3 H 1 1.371 0.003 . 1 . . . A 21 ALA HB3 . 19841 1 227 . 1 1 21 21 ALA CA C 13 53.423 0.000 . 1 . . . A 21 ALA CA . 19841 1 228 . 1 1 21 21 ALA CB C 13 17.541 0.000 . 1 . . . A 21 ALA CB . 19841 1 229 . 1 1 21 21 ALA N N 15 127.536 0.000 . 1 . . . A 21 ALA N . 19841 1 230 . 1 1 22 22 GLY H H 1 7.193 0.007 . 1 . . . A 22 GLY H . 19841 1 231 . 1 1 22 22 GLY HA2 H 1 3.675 0.011 . 2 . . . A 22 GLY HA2 . 19841 1 232 . 1 1 22 22 GLY HA3 H 1 4.117 0.005 . 2 . . . A 22 GLY HA3 . 19841 1 233 . 1 1 22 22 GLY CA C 13 45.765 0.000 . 1 . . . A 22 GLY CA . 19841 1 234 . 1 1 22 22 GLY N N 15 114.694 0.000 . 1 . . . A 22 GLY N . 19841 1 235 . 1 1 23 23 GLY H H 1 8.221 0.003 . 1 . . . A 23 GLY H . 19841 1 236 . 1 1 23 23 GLY HA2 H 1 3.516 0.004 . 2 . . . A 23 GLY HA2 . 19841 1 237 . 1 1 23 23 GLY HA3 H 1 4.514 0.000 . 2 . . . A 23 GLY HA3 . 19841 1 238 . 1 1 23 23 GLY CA C 13 44.078 0.000 . 1 . . . A 23 GLY CA . 19841 1 239 . 1 1 23 23 GLY N N 15 110.578 0.000 . 1 . . . A 23 GLY N . 19841 1 240 . 1 1 24 24 ASN H H 1 8.301 0.007 . 1 . . . A 24 ASN H . 19841 1 241 . 1 1 24 24 ASN HA H 1 5.548 0.005 . 1 . . . A 24 ASN HA . 19841 1 242 . 1 1 24 24 ASN HB2 H 1 2.606 0.002 . 2 . . . A 24 ASN HB2 . 19841 1 243 . 1 1 24 24 ASN HB3 H 1 2.447 0.003 . 2 . . . A 24 ASN HB3 . 19841 1 244 . 1 1 24 24 ASN HD21 H 1 6.744 0.001 . 2 . . . A 24 ASN HD21 . 19841 1 245 . 1 1 24 24 ASN HD22 H 1 7.288 0.003 . 2 . . . A 24 ASN HD22 . 19841 1 246 . 1 1 24 24 ASN CA C 13 51.341 0.000 . 1 . . . A 24 ASN CA . 19841 1 247 . 1 1 24 24 ASN CB C 13 42.173 0.000 . 1 . . . A 24 ASN CB . 19841 1 248 . 1 1 24 24 ASN N N 15 115.603 0.000 . 1 . . . A 24 ASN N . 19841 1 249 . 1 1 24 24 ASN ND2 N 15 113.389 0.000 . 1 . . . A 24 ASN ND2 . 19841 1 250 . 1 1 25 25 LEU H H 1 8.899 0.010 . 1 . . . A 25 LEU H . 19841 1 251 . 1 1 25 25 LEU HA H 1 4.421 0.004 . 1 . . . A 25 LEU HA . 19841 1 252 . 1 1 25 25 LEU HB2 H 1 1.578 0.005 . 2 . . . A 25 LEU HB2 . 19841 1 253 . 1 1 25 25 LEU HB3 H 1 1.409 0.003 . 2 . . . A 25 LEU HB3 . 19841 1 254 . 1 1 25 25 LEU HG H 1 1.494 0.007 . 1 . . . A 25 LEU HG . 19841 1 255 . 1 1 25 25 LEU HD11 H 1 1.020 0.002 . 2 . . . A 25 LEU HD11 . 19841 1 256 . 1 1 25 25 LEU HD12 H 1 1.020 0.002 . 2 . . . A 25 LEU HD12 . 19841 1 257 . 1 1 25 25 LEU HD13 H 1 1.020 0.002 . 2 . . . A 25 LEU HD13 . 19841 1 258 . 1 1 25 25 LEU HD21 H 1 0.678 0.004 . 2 . . . A 25 LEU HD21 . 19841 1 259 . 1 1 25 25 LEU HD22 H 1 0.678 0.004 . 2 . . . A 25 LEU HD22 . 19841 1 260 . 1 1 25 25 LEU HD23 H 1 0.678 0.004 . 2 . . . A 25 LEU HD23 . 19841 1 261 . 1 1 25 25 LEU CA C 13 54.643 0.000 . 1 . . . A 25 LEU CA . 19841 1 262 . 1 1 25 25 LEU CB C 13 49.271 0.000 . 1 . . . A 25 LEU CB . 19841 1 263 . 1 1 25 25 LEU CG C 13 26.743 0.000 . 1 . . . A 25 LEU CG . 19841 1 264 . 1 1 25 25 LEU CD1 C 13 22.810 0.000 . 2 . . . A 25 LEU CD1 . 19841 1 265 . 1 1 25 25 LEU CD2 C 13 26.276 0.000 . 2 . . . A 25 LEU CD2 . 19841 1 266 . 1 1 25 25 LEU N N 15 119.164 0.000 . 1 . . . A 25 LEU N . 19841 1 267 . 1 1 26 26 ILE H H 1 8.268 0.008 . 1 . . . A 26 ILE H . 19841 1 268 . 1 1 26 26 ILE HA H 1 4.608 0.008 . 1 . . . A 26 ILE HA . 19841 1 269 . 1 1 26 26 ILE HB H 1 1.670 0.001 . 1 . . . A 26 ILE HB . 19841 1 270 . 1 1 26 26 ILE HG12 H 1 0.844 0.006 . 2 . . . A 26 ILE HG12 . 19841 1 271 . 1 1 26 26 ILE HG13 H 1 1.594 0.002 . 2 . . . A 26 ILE HG13 . 19841 1 272 . 1 1 26 26 ILE HG21 H 1 0.633 0.011 . 1 . . . A 26 ILE HG21 . 19841 1 273 . 1 1 26 26 ILE HG22 H 1 0.633 0.011 . 1 . . . A 26 ILE HG22 . 19841 1 274 . 1 1 26 26 ILE HG23 H 1 0.633 0.011 . 1 . . . A 26 ILE HG23 . 19841 1 275 . 1 1 26 26 ILE HD11 H 1 0.773 0.007 . 1 . . . A 26 ILE HD11 . 19841 1 276 . 1 1 26 26 ILE HD12 H 1 0.773 0.007 . 1 . . . A 26 ILE HD12 . 19841 1 277 . 1 1 26 26 ILE HD13 H 1 0.773 0.007 . 1 . . . A 26 ILE HD13 . 19841 1 278 . 1 1 26 26 ILE CA C 13 60.721 0.000 . 1 . . . A 26 ILE CA . 19841 1 279 . 1 1 26 26 ILE CB C 13 37.463 0.000 . 1 . . . A 26 ILE CB . 19841 1 280 . 1 1 26 26 ILE CG1 C 13 28.298 0.000 . 1 . . . A 26 ILE CG1 . 19841 1 281 . 1 1 26 26 ILE CG2 C 13 17.408 0.000 . 1 . . . A 26 ILE CG2 . 19841 1 282 . 1 1 26 26 ILE CD1 C 13 12.818 0.000 . 1 . . . A 26 ILE CD1 . 19841 1 283 . 1 1 26 26 ILE N N 15 126.281 0.000 . 1 . . . A 26 ILE N . 19841 1 284 . 1 1 27 27 ILE H H 1 9.225 0.001 . 1 . . . A 27 ILE H . 19841 1 285 . 1 1 27 27 ILE HA H 1 4.143 0.002 . 1 . . . A 27 ILE HA . 19841 1 286 . 1 1 27 27 ILE HB H 1 1.565 0.004 . 1 . . . A 27 ILE HB . 19841 1 287 . 1 1 27 27 ILE HG12 H 1 1.544 0.002 . 2 . . . A 27 ILE HG12 . 19841 1 288 . 1 1 27 27 ILE HG13 H 1 0.776 0.007 . 2 . . . A 27 ILE HG13 . 19841 1 289 . 1 1 27 27 ILE HG21 H 1 0.632 0.004 . 1 . . . A 27 ILE HG21 . 19841 1 290 . 1 1 27 27 ILE HG22 H 1 0.632 0.004 . 1 . . . A 27 ILE HG22 . 19841 1 291 . 1 1 27 27 ILE HG23 H 1 0.632 0.004 . 1 . . . A 27 ILE HG23 . 19841 1 292 . 1 1 27 27 ILE HD11 H 1 0.622 0.009 . 1 . . . A 27 ILE HD11 . 19841 1 293 . 1 1 27 27 ILE HD12 H 1 0.622 0.009 . 1 . . . A 27 ILE HD12 . 19841 1 294 . 1 1 27 27 ILE HD13 H 1 0.622 0.009 . 1 . . . A 27 ILE HD13 . 19841 1 295 . 1 1 27 27 ILE CA C 13 60.421 0.000 . 1 . . . A 27 ILE CA . 19841 1 296 . 1 1 27 27 ILE CB C 13 39.969 0.000 . 1 . . . A 27 ILE CB . 19841 1 297 . 1 1 27 27 ILE CG1 C 13 27.401 0.000 . 1 . . . A 27 ILE CG1 . 19841 1 298 . 1 1 27 27 ILE CG2 C 13 16.720 0.000 . 1 . . . A 27 ILE CG2 . 19841 1 299 . 1 1 27 27 ILE CD1 C 13 13.190 0.000 . 1 . . . A 27 ILE CD1 . 19841 1 300 . 1 1 27 27 ILE N N 15 129.850 0.000 . 1 . . . A 27 ILE N . 19841 1 301 . 1 1 28 28 ARG H H 1 8.598 0.002 . 1 . . . A 28 ARG H . 19841 1 302 . 1 1 28 28 ARG HA H 1 4.029 0.003 . 1 . . . A 28 ARG HA . 19841 1 303 . 1 1 28 28 ARG HB2 H 1 1.785 0.003 . 2 . . . A 28 ARG HB2 . 19841 1 304 . 1 1 28 28 ARG HB3 H 1 1.601 0.008 . 2 . . . A 28 ARG HB3 . 19841 1 305 . 1 1 28 28 ARG HG2 H 1 1.417 0.007 . 2 . . . A 28 ARG HG2 . 19841 1 306 . 1 1 28 28 ARG HG3 H 1 1.524 0.008 . 2 . . . A 28 ARG HG3 . 19841 1 307 . 1 1 28 28 ARG HD2 H 1 3.022 0.005 . 2 . . . A 28 ARG HD2 . 19841 1 308 . 1 1 28 28 ARG HD3 H 1 3.054 0.001 . 2 . . . A 28 ARG HD3 . 19841 1 309 . 1 1 28 28 ARG CA C 13 56.030 0.000 . 1 . . . A 28 ARG CA . 19841 1 310 . 1 1 28 28 ARG CB C 13 30.085 0.000 . 1 . . . A 28 ARG CB . 19841 1 311 . 1 1 28 28 ARG CG C 13 27.138 0.000 . 1 . . . A 28 ARG CG . 19841 1 312 . 1 1 28 28 ARG CD C 13 43.084 0.000 . 1 . . . A 28 ARG CD . 19841 1 313 . 1 1 28 28 ARG N N 15 128.111 0.000 . 1 . . . A 28 ARG N . 19841 1 314 . 1 1 29 29 VAL H H 1 8.227 0.005 . 1 . . . A 29 VAL H . 19841 1 315 . 1 1 29 29 VAL HA H 1 3.812 0.001 . 1 . . . A 29 VAL HA . 19841 1 316 . 1 1 29 29 VAL HG11 H 1 0.678 0.006 . 2 . . . A 29 VAL HG11 . 19841 1 317 . 1 1 29 29 VAL HG12 H 1 0.678 0.006 . 2 . . . A 29 VAL HG12 . 19841 1 318 . 1 1 29 29 VAL HG13 H 1 0.678 0.006 . 2 . . . A 29 VAL HG13 . 19841 1 319 . 1 1 29 29 VAL HG21 H 1 0.560 0.006 . 2 . . . A 29 VAL HG21 . 19841 1 320 . 1 1 29 29 VAL HG22 H 1 0.560 0.006 . 2 . . . A 29 VAL HG22 . 19841 1 321 . 1 1 29 29 VAL HG23 H 1 0.560 0.006 . 2 . . . A 29 VAL HG23 . 19841 1 322 . 1 1 29 29 VAL CA C 13 60.972 0.000 . 1 . . . A 29 VAL CA . 19841 1 323 . 1 1 29 29 VAL CB C 13 30.479 0.000 . 1 . . . A 29 VAL CB . 19841 1 324 . 1 1 29 29 VAL CG1 C 13 22.272 0.000 . 2 . . . A 29 VAL CG1 . 19841 1 325 . 1 1 29 29 VAL CG2 C 13 21.012 0.000 . 2 . . . A 29 VAL CG2 . 19841 1 326 . 1 1 29 29 VAL N N 15 125.854 0.000 . 1 . . . A 29 VAL N . 19841 1 327 . 1 1 30 30 GLY H H 1 8.228 0.002 . 1 . . . A 30 GLY H . 19841 1 328 . 1 1 30 30 GLY HA2 H 1 3.698 0.002 . 2 . . . A 30 GLY HA2 . 19841 1 329 . 1 1 30 30 GLY HA3 H 1 3.961 0.008 . 2 . . . A 30 GLY HA3 . 19841 1 330 . 1 1 30 30 GLY CA C 13 45.457 0.000 . 1 . . . A 30 GLY CA . 19841 1 331 . 1 1 30 30 GLY N N 15 112.077 0.000 . 1 . . . A 30 GLY N . 19841 1 332 . 1 1 31 31 SER H H 1 8.846 0.015 . 1 . . . A 31 SER H . 19841 1 333 . 1 1 31 31 SER HA H 1 4.412 0.002 . 1 . . . A 31 SER HA . 19841 1 334 . 1 1 31 31 SER HB2 H 1 3.922 0.003 . 2 . . . A 31 SER HB2 . 19841 1 335 . 1 1 31 31 SER HB3 H 1 3.780 0.004 . 2 . . . A 31 SER HB3 . 19841 1 336 . 1 1 31 31 SER CA C 13 57.774 0.000 . 1 . . . A 31 SER CA . 19841 1 337 . 1 1 31 31 SER CB C 13 63.531 0.000 . 1 . . . A 31 SER CB . 19841 1 338 . 1 1 31 31 SER N N 15 116.389 0.000 . 1 . . . A 31 SER N . 19841 1 339 . 1 1 32 32 ASP H H 1 8.170 0.003 . 1 . . . A 32 ASP H . 19841 1 340 . 1 1 32 32 ASP HA H 1 4.710 0.002 . 1 . . . A 32 ASP HA . 19841 1 341 . 1 1 32 32 ASP HB2 H 1 2.588 0.004 . 2 . . . A 32 ASP HB2 . 19841 1 342 . 1 1 32 32 ASP HB3 H 1 2.874 0.002 . 2 . . . A 32 ASP HB3 . 19841 1 343 . 1 1 32 32 ASP CA C 13 54.633 0.000 . 1 . . . A 32 ASP CA . 19841 1 344 . 1 1 32 32 ASP CB C 13 43.282 0.000 . 1 . . . A 32 ASP CB . 19841 1 345 . 1 1 32 32 ASP N N 15 117.859 0.000 . 1 . . . A 32 ASP N . 19841 1 346 . 1 1 33 33 HIS H H 1 7.414 0.012 . 1 . . . A 33 HIS H . 19841 1 347 . 1 1 33 33 HIS HA H 1 4.873 0.002 . 1 . . . A 33 HIS HA . 19841 1 348 . 1 1 33 33 HIS HB2 H 1 3.131 0.001 . 2 . . . A 33 HIS HB2 . 19841 1 349 . 1 1 33 33 HIS HB3 H 1 3.196 0.007 . 2 . . . A 33 HIS HB3 . 19841 1 350 . 1 1 33 33 HIS HD2 H 1 6.057 0.001 . 1 . . . A 33 HIS HD2 . 19841 1 351 . 1 1 33 33 HIS HE1 H 1 8.106 0.000 . 1 . . . A 33 HIS HE1 . 19841 1 352 . 1 1 33 33 HIS CA C 13 55.121 0.000 . 1 . . . A 33 HIS CA . 19841 1 353 . 1 1 33 33 HIS CB C 13 29.058 0.000 . 1 . . . A 33 HIS CB . 19841 1 354 . 1 1 33 33 HIS CD2 C 13 119.423 0.000 . 1 . . . A 33 HIS CD2 . 19841 1 355 . 1 1 33 33 HIS N N 15 112.292 0.000 . 1 . . . A 33 HIS N . 19841 1 356 . 1 1 34 34 SER H H 1 8.231 0.008 . 1 . . . A 34 SER H . 19841 1 357 . 1 1 34 34 SER HA H 1 4.833 0.003 . 1 . . . A 34 SER HA . 19841 1 358 . 1 1 34 34 SER HB2 H 1 3.506 0.002 . 2 . . . A 34 SER HB2 . 19841 1 359 . 1 1 34 34 SER HB3 H 1 3.357 0.002 . 2 . . . A 34 SER HB3 . 19841 1 360 . 1 1 34 34 SER CA C 13 56.411 0.000 . 1 . . . A 34 SER CA . 19841 1 361 . 1 1 34 34 SER CB C 13 66.064 0.000 . 1 . . . A 34 SER CB . 19841 1 362 . 1 1 34 34 SER N N 15 113.513 0.000 . 1 . . . A 34 SER N . 19841 1 363 . 1 1 35 35 TYR H H 1 8.550 0.010 . 1 . . . A 35 TYR H . 19841 1 364 . 1 1 35 35 TYR HA H 1 5.053 0.003 . 1 . . . A 35 TYR HA . 19841 1 365 . 1 1 35 35 TYR HB2 H 1 2.314 0.003 . 2 . . . A 35 TYR HB2 . 19841 1 366 . 1 1 35 35 TYR HB3 H 1 2.801 0.002 . 2 . . . A 35 TYR HB3 . 19841 1 367 . 1 1 35 35 TYR HD1 H 1 6.827 0.001 . 3 . . . A 35 TYR HD1 . 19841 1 368 . 1 1 35 35 TYR HD2 H 1 6.827 0.001 . 3 . . . A 35 TYR HD2 . 19841 1 369 . 1 1 35 35 TYR HE1 H 1 7.137 0.004 . 3 . . . A 35 TYR HE1 . 19841 1 370 . 1 1 35 35 TYR HE2 H 1 7.137 0.004 . 3 . . . A 35 TYR HE2 . 19841 1 371 . 1 1 35 35 TYR CA C 13 54.855 0.000 . 1 . . . A 35 TYR CA . 19841 1 372 . 1 1 35 35 TYR CB C 13 43.014 0.000 . 1 . . . A 35 TYR CB . 19841 1 373 . 1 1 35 35 TYR CD2 C 13 133.068 0.000 . 3 . . . A 35 TYR CD2 . 19841 1 374 . 1 1 35 35 TYR CE2 C 13 117.635 0.000 . 3 . . . A 35 TYR CE2 . 19841 1 375 . 1 1 35 35 TYR N N 15 117.665 0.000 . 1 . . . A 35 TYR N . 19841 1 376 . 1 1 36 36 LEU H H 1 8.727 0.007 . 1 . . . A 36 LEU H . 19841 1 377 . 1 1 36 36 LEU HA H 1 4.695 0.008 . 1 . . . A 36 LEU HA . 19841 1 378 . 1 1 36 36 LEU HB2 H 1 1.336 0.007 . 2 . . . A 36 LEU HB2 . 19841 1 379 . 1 1 36 36 LEU HB3 H 1 1.784 0.004 . 2 . . . A 36 LEU HB3 . 19841 1 380 . 1 1 36 36 LEU HG H 1 1.241 0.015 . 1 . . . A 36 LEU HG . 19841 1 381 . 1 1 36 36 LEU HD11 H 1 0.696 0.008 . 2 . . . A 36 LEU HD11 . 19841 1 382 . 1 1 36 36 LEU HD12 H 1 0.696 0.008 . 2 . . . A 36 LEU HD12 . 19841 1 383 . 1 1 36 36 LEU HD13 H 1 0.696 0.008 . 2 . . . A 36 LEU HD13 . 19841 1 384 . 1 1 36 36 LEU HD21 H 1 0.671 0.000 . 2 . . . A 36 LEU HD21 . 19841 1 385 . 1 1 36 36 LEU HD22 H 1 0.671 0.000 . 2 . . . A 36 LEU HD22 . 19841 1 386 . 1 1 36 36 LEU HD23 H 1 0.671 0.000 . 2 . . . A 36 LEU HD23 . 19841 1 387 . 1 1 36 36 LEU CA C 13 54.334 0.000 . 1 . . . A 36 LEU CA . 19841 1 388 . 1 1 36 36 LEU CB C 13 41.134 0.000 . 1 . . . A 36 LEU CB . 19841 1 389 . 1 1 36 36 LEU CG C 13 27.731 0.000 . 1 . . . A 36 LEU CG . 19841 1 390 . 1 1 36 36 LEU CD1 C 13 24.158 0.000 . 2 . . . A 36 LEU CD1 . 19841 1 391 . 1 1 36 36 LEU N N 15 125.141 0.000 . 1 . . . A 36 LEU N . 19841 1 392 . 1 1 37 37 ILE H H 1 8.784 0.010 . 1 . . . A 37 ILE H . 19841 1 393 . 1 1 37 37 ILE HA H 1 4.607 0.000 . 1 . . . A 37 ILE HA . 19841 1 394 . 1 1 37 37 ILE HB H 1 1.983 0.003 . 1 . . . A 37 ILE HB . 19841 1 395 . 1 1 37 37 ILE HG12 H 1 1.690 0.003 . 2 . . . A 37 ILE HG12 . 19841 1 396 . 1 1 37 37 ILE HG13 H 1 1.075 0.001 . 2 . . . A 37 ILE HG13 . 19841 1 397 . 1 1 37 37 ILE HG21 H 1 0.793 0.008 . 1 . . . A 37 ILE HG21 . 19841 1 398 . 1 1 37 37 ILE HG22 H 1 0.793 0.008 . 1 . . . A 37 ILE HG22 . 19841 1 399 . 1 1 37 37 ILE HG23 H 1 0.793 0.008 . 1 . . . A 37 ILE HG23 . 19841 1 400 . 1 1 37 37 ILE HD11 H 1 0.592 0.002 . 1 . . . A 37 ILE HD11 . 19841 1 401 . 1 1 37 37 ILE HD12 H 1 0.592 0.002 . 1 . . . A 37 ILE HD12 . 19841 1 402 . 1 1 37 37 ILE HD13 H 1 0.592 0.002 . 1 . . . A 37 ILE HD13 . 19841 1 403 . 1 1 37 37 ILE CA C 13 57.248 0.000 . 1 . . . A 37 ILE CA . 19841 1 404 . 1 1 37 37 ILE CB C 13 36.877 0.000 . 1 . . . A 37 ILE CB . 19841 1 405 . 1 1 37 37 ILE CG1 C 13 26.771 0.000 . 1 . . . A 37 ILE CG1 . 19841 1 406 . 1 1 37 37 ILE CG2 C 13 19.030 0.000 . 1 . . . A 37 ILE CG2 . 19841 1 407 . 1 1 37 37 ILE CD1 C 13 10.629 0.000 . 1 . . . A 37 ILE CD1 . 19841 1 408 . 1 1 37 37 ILE N N 15 128.082 0.000 . 1 . . . A 37 ILE N . 19841 1 409 . 1 1 38 38 ARG H H 1 8.969 0.003 . 1 . . . A 38 ARG H . 19841 1 410 . 1 1 38 38 ARG HA H 1 4.899 0.002 . 1 . . . A 38 ARG HA . 19841 1 411 . 1 1 38 38 ARG HB2 H 1 1.725 0.005 . 2 . . . A 38 ARG HB2 . 19841 1 412 . 1 1 38 38 ARG HB3 H 1 1.647 0.005 . 2 . . . A 38 ARG HB3 . 19841 1 413 . 1 1 38 38 ARG HG2 H 1 1.266 0.005 . 2 . . . A 38 ARG HG2 . 19841 1 414 . 1 1 38 38 ARG HG3 H 1 1.585 0.004 . 2 . . . A 38 ARG HG3 . 19841 1 415 . 1 1 38 38 ARG HD2 H 1 3.093 0.004 . 2 . . . A 38 ARG HD2 . 19841 1 416 . 1 1 38 38 ARG HD3 H 1 3.093 0.009 . 2 . . . A 38 ARG HD3 . 19841 1 417 . 1 1 38 38 ARG CA C 13 53.903 0.000 . 1 . . . A 38 ARG CA . 19841 1 418 . 1 1 38 38 ARG CB C 13 30.846 0.000 . 1 . . . A 38 ARG CB . 19841 1 419 . 1 1 38 38 ARG CG C 13 26.431 0.000 . 1 . . . A 38 ARG CG . 19841 1 420 . 1 1 38 38 ARG CD C 13 42.947 0.014 . 1 . . . A 38 ARG CD . 19841 1 421 . 1 1 38 38 ARG N N 15 123.179 0.000 . 1 . . . A 38 ARG N . 19841 1 422 . 1 1 39 39 ALA H H 1 8.351 0.001 . 1 . . . A 39 ALA H . 19841 1 423 . 1 1 39 39 ALA HA H 1 5.484 0.004 . 1 . . . A 39 ALA HA . 19841 1 424 . 1 1 39 39 ALA HB1 H 1 1.276 0.002 . 1 . . . A 39 ALA HB1 . 19841 1 425 . 1 1 39 39 ALA HB2 H 1 1.276 0.002 . 1 . . . A 39 ALA HB2 . 19841 1 426 . 1 1 39 39 ALA HB3 H 1 1.276 0.002 . 1 . . . A 39 ALA HB3 . 19841 1 427 . 1 1 39 39 ALA CA C 13 49.469 0.000 . 1 . . . A 39 ALA CA . 19841 1 428 . 1 1 39 39 ALA CB C 13 23.163 0.000 . 1 . . . A 39 ALA CB . 19841 1 429 . 1 1 39 39 ALA N N 15 121.356 0.000 . 1 . . . A 39 ALA N . 19841 1 430 . 1 1 40 40 THR H H 1 8.937 0.006 . 1 . . . A 40 THR H . 19841 1 431 . 1 1 40 40 THR HA H 1 4.579 0.005 . 1 . . . A 40 THR HA . 19841 1 432 . 1 1 40 40 THR HB H 1 4.814 0.003 . 1 . . . A 40 THR HB . 19841 1 433 . 1 1 40 40 THR HG21 H 1 1.318 0.002 . 1 . . . A 40 THR HG21 . 19841 1 434 . 1 1 40 40 THR HG22 H 1 1.318 0.002 . 1 . . . A 40 THR HG22 . 19841 1 435 . 1 1 40 40 THR HG23 H 1 1.318 0.002 . 1 . . . A 40 THR HG23 . 19841 1 436 . 1 1 40 40 THR CA C 13 60.520 0.000 . 1 . . . A 40 THR CA . 19841 1 437 . 1 1 40 40 THR CB C 13 71.257 0.000 . 1 . . . A 40 THR CB . 19841 1 438 . 1 1 40 40 THR CG2 C 13 21.475 0.000 . 1 . . . A 40 THR CG2 . 19841 1 439 . 1 1 40 40 THR N N 15 112.928 0.000 . 1 . . . A 40 THR N . 19841 1 440 . 1 1 41 41 VAL H H 1 8.803 0.011 . 1 . . . A 41 VAL H . 19841 1 441 . 1 1 41 41 VAL HA H 1 3.725 0.002 . 1 . . . A 41 VAL HA . 19841 1 442 . 1 1 41 41 VAL HB H 1 2.195 0.000 . 1 . . . A 41 VAL HB . 19841 1 443 . 1 1 41 41 VAL HG11 H 1 0.968 0.007 . 2 . . . A 41 VAL HG11 . 19841 1 444 . 1 1 41 41 VAL HG12 H 1 0.968 0.007 . 2 . . . A 41 VAL HG12 . 19841 1 445 . 1 1 41 41 VAL HG13 H 1 0.968 0.007 . 2 . . . A 41 VAL HG13 . 19841 1 446 . 1 1 41 41 VAL HG21 H 1 0.954 0.002 . 2 . . . A 41 VAL HG21 . 19841 1 447 . 1 1 41 41 VAL HG22 H 1 0.954 0.002 . 2 . . . A 41 VAL HG22 . 19841 1 448 . 1 1 41 41 VAL HG23 H 1 0.954 0.002 . 2 . . . A 41 VAL HG23 . 19841 1 449 . 1 1 41 41 VAL CA C 13 65.196 0.000 . 1 . . . A 41 VAL CA . 19841 1 450 . 1 1 41 41 VAL CB C 13 31.015 0.000 . 1 . . . A 41 VAL CB . 19841 1 451 . 1 1 41 41 VAL CG1 C 13 21.046 0.000 . 1 . . . A 41 VAL CG1 . 19841 1 452 . 1 1 41 41 VAL CG2 C 13 19.648 0.000 . 1 . . . A 41 VAL CG2 . 19841 1 453 . 1 1 41 41 VAL N N 15 116.259 0.000 . 1 . . . A 41 VAL N . 19841 1 454 . 1 1 42 42 SER H H 1 7.437 0.009 . 1 . . . A 42 SER H . 19841 1 455 . 1 1 42 42 SER HA H 1 4.574 0.001 . 1 . . . A 42 SER HA . 19841 1 456 . 1 1 42 42 SER HB2 H 1 3.724 0.002 . 2 . . . A 42 SER HB2 . 19841 1 457 . 1 1 42 42 SER HB3 H 1 3.903 0.004 . 2 . . . A 42 SER HB3 . 19841 1 458 . 1 1 42 42 SER CA C 13 56.921 0.000 . 1 . . . A 42 SER CA . 19841 1 459 . 1 1 42 42 SER CB C 13 62.406 0.000 . 1 . . . A 42 SER CB . 19841 1 460 . 1 1 42 42 SER N N 15 112.207 0.000 . 1 . . . A 42 SER N . 19841 1 461 . 1 1 43 43 CYS H H 1 7.992 0.013 . 1 . . . A 43 CYS H . 19841 1 462 . 1 1 43 43 CYS HA H 1 4.306 0.004 . 1 . . . A 43 CYS HA . 19841 1 463 . 1 1 43 43 CYS HB2 H 1 3.564 0.004 . 2 . . . A 43 CYS HB2 . 19841 1 464 . 1 1 43 43 CYS HB3 H 1 3.083 0.002 . 2 . . . A 43 CYS HB3 . 19841 1 465 . 1 1 43 43 CYS CA C 13 53.508 0.000 . 1 . . . A 43 CYS CA . 19841 1 466 . 1 1 43 43 CYS CB C 13 31.318 0.000 . 1 . . . A 43 CYS CB . 19841 1 467 . 1 1 43 43 CYS N N 15 111.198 0.000 . 1 . . . A 43 CYS N . 19841 1 468 . 1 1 44 44 GLY H H 1 8.260 0.000 . 1 . . . A 44 GLY H . 19841 1 469 . 1 1 44 44 GLY HA2 H 1 3.434 0.002 . 2 . . . A 44 GLY HA2 . 19841 1 470 . 1 1 44 44 GLY HA3 H 1 4.129 0.004 . 2 . . . A 44 GLY HA3 . 19841 1 471 . 1 1 44 44 GLY CA C 13 45.624 0.000 . 1 . . . A 44 GLY CA . 19841 1 472 . 1 1 44 44 GLY N N 15 107.572 0.000 . 1 . . . A 44 GLY N . 19841 1 473 . 1 1 45 45 LEU H H 1 8.872 0.008 . 1 . . . A 45 LEU H . 19841 1 474 . 1 1 45 45 LEU HA H 1 5.513 0.008 . 1 . . . A 45 LEU HA . 19841 1 475 . 1 1 45 45 LEU HB2 H 1 1.095 0.004 . 2 . . . A 45 LEU HB2 . 19841 1 476 . 1 1 45 45 LEU HB3 H 1 1.773 0.001 . 2 . . . A 45 LEU HB3 . 19841 1 477 . 1 1 45 45 LEU HG H 1 1.797 0.000 . 1 . . . A 45 LEU HG . 19841 1 478 . 1 1 45 45 LEU HD11 H 1 0.828 0.007 . 2 . . . A 45 LEU HD11 . 19841 1 479 . 1 1 45 45 LEU HD12 H 1 0.828 0.007 . 2 . . . A 45 LEU HD12 . 19841 1 480 . 1 1 45 45 LEU HD13 H 1 0.828 0.007 . 2 . . . A 45 LEU HD13 . 19841 1 481 . 1 1 45 45 LEU HD21 H 1 0.566 0.002 . 2 . . . A 45 LEU HD21 . 19841 1 482 . 1 1 45 45 LEU HD22 H 1 0.566 0.002 . 2 . . . A 45 LEU HD22 . 19841 1 483 . 1 1 45 45 LEU HD23 H 1 0.566 0.002 . 2 . . . A 45 LEU HD23 . 19841 1 484 . 1 1 45 45 LEU CA C 13 53.520 0.000 . 1 . . . A 45 LEU CA . 19841 1 485 . 1 1 45 45 LEU CB C 13 44.660 0.000 . 1 . . . A 45 LEU CB . 19841 1 486 . 1 1 45 45 LEU CG C 13 25.891 0.000 . 1 . . . A 45 LEU CG . 19841 1 487 . 1 1 45 45 LEU CD1 C 13 26.204 0.000 . 2 . . . A 45 LEU CD1 . 19841 1 488 . 1 1 45 45 LEU CD2 C 13 22.889 0.000 . 2 . . . A 45 LEU CD2 . 19841 1 489 . 1 1 45 45 LEU N N 15 128.666 0.000 . 1 . . . A 45 LEU N . 19841 1 490 . 1 1 46 46 SER H H 1 8.842 0.004 . 1 . . . A 46 SER H . 19841 1 491 . 1 1 46 46 SER HA H 1 4.450 0.000 . 1 . . . A 46 SER HA . 19841 1 492 . 1 1 46 46 SER HB2 H 1 3.792 0.010 . 2 . . . A 46 SER HB2 . 19841 1 493 . 1 1 46 46 SER HB3 H 1 3.890 0.005 . 2 . . . A 46 SER HB3 . 19841 1 494 . 1 1 46 46 SER CA C 13 57.131 0.000 . 1 . . . A 46 SER CA . 19841 1 495 . 1 1 46 46 SER CB C 13 65.678 0.000 . 1 . . . A 46 SER CB . 19841 1 496 . 1 1 46 46 SER N N 15 112.566 0.000 . 1 . . . A 46 SER N . 19841 1 497 . 1 1 47 47 LEU H H 1 8.725 0.005 . 1 . . . A 47 LEU H . 19841 1 498 . 1 1 47 47 LEU HA H 1 4.371 0.004 . 1 . . . A 47 LEU HA . 19841 1 499 . 1 1 47 47 LEU HB2 H 1 1.393 0.006 . 2 . . . A 47 LEU HB2 . 19841 1 500 . 1 1 47 47 LEU HB3 H 1 0.839 0.002 . 2 . . . A 47 LEU HB3 . 19841 1 501 . 1 1 47 47 LEU HG H 1 1.539 0.004 . 1 . . . A 47 LEU HG . 19841 1 502 . 1 1 47 47 LEU HD11 H 1 -0.523 0.007 . 2 . . . A 47 LEU HD11 . 19841 1 503 . 1 1 47 47 LEU HD12 H 1 -0.523 0.007 . 2 . . . A 47 LEU HD12 . 19841 1 504 . 1 1 47 47 LEU HD13 H 1 -0.523 0.007 . 2 . . . A 47 LEU HD13 . 19841 1 505 . 1 1 47 47 LEU HD21 H 1 0.367 0.004 . 2 . . . A 47 LEU HD21 . 19841 1 506 . 1 1 47 47 LEU HD22 H 1 0.367 0.004 . 2 . . . A 47 LEU HD22 . 19841 1 507 . 1 1 47 47 LEU HD23 H 1 0.367 0.004 . 2 . . . A 47 LEU HD23 . 19841 1 508 . 1 1 47 47 LEU CA C 13 53.414 0.000 . 1 . . . A 47 LEU CA . 19841 1 509 . 1 1 47 47 LEU CB C 13 42.524 0.000 . 1 . . . A 47 LEU CB . 19841 1 510 . 1 1 47 47 LEU CG C 13 25.033 0.000 . 1 . . . A 47 LEU CG . 19841 1 511 . 1 1 47 47 LEU CD1 C 13 23.475 0.000 . 2 . . . A 47 LEU CD1 . 19841 1 512 . 1 1 47 47 LEU CD2 C 13 24.023 0.000 . 2 . . . A 47 LEU CD2 . 19841 1 513 . 1 1 47 47 LEU N N 15 122.920 0.000 . 1 . . . A 47 LEU N . 19841 1 514 . 1 1 48 48 ASN H H 1 8.244 0.009 . 1 . . . A 48 ASN H . 19841 1 515 . 1 1 48 48 ASN HA H 1 4.329 0.001 . 1 . . . A 48 ASN HA . 19841 1 516 . 1 1 48 48 ASN HB2 H 1 2.847 0.015 . 2 . . . A 48 ASN HB2 . 19841 1 517 . 1 1 48 48 ASN HB3 H 1 2.789 0.009 . 2 . . . A 48 ASN HB3 . 19841 1 518 . 1 1 48 48 ASN HD21 H 1 7.231 0.002 . 2 . . . A 48 ASN HD21 . 19841 1 519 . 1 1 48 48 ASN HD22 H 1 7.344 0.012 . 2 . . . A 48 ASN HD22 . 19841 1 520 . 1 1 48 48 ASN CA C 13 51.800 0.000 . 1 . . . A 48 ASN CA . 19841 1 521 . 1 1 48 48 ASN CB C 13 40.404 0.000 . 1 . . . A 48 ASN CB . 19841 1 522 . 1 1 48 48 ASN N N 15 124.391 0.000 . 1 . . . A 48 ASN N . 19841 1 523 . 1 1 48 48 ASN ND2 N 15 113.807 0.000 . 1 . . . A 48 ASN ND2 . 19841 1 524 . 1 1 49 49 PRO HA H 1 4.400 0.011 . 1 . . . A 49 PRO HA . 19841 1 525 . 1 1 49 49 PRO HB2 H 1 2.307 0.002 . 2 . . . A 49 PRO HB2 . 19841 1 526 . 1 1 49 49 PRO HB3 H 1 1.943 0.001 . 2 . . . A 49 PRO HB3 . 19841 1 527 . 1 1 49 49 PRO HG2 H 1 1.962 0.003 . 2 . . . A 49 PRO HG2 . 19841 1 528 . 1 1 49 49 PRO HG3 H 1 1.953 0.002 . 2 . . . A 49 PRO HG3 . 19841 1 529 . 1 1 49 49 PRO HD2 H 1 3.685 0.005 . 2 . . . A 49 PRO HD2 . 19841 1 530 . 1 1 49 49 PRO HD3 H 1 3.679 0.000 . 2 . . . A 49 PRO HD3 . 19841 1 531 . 1 1 49 49 PRO CA C 13 64.435 0.000 . 1 . . . A 49 PRO CA . 19841 1 532 . 1 1 49 49 PRO CB C 13 31.733 0.000 . 1 . . . A 49 PRO CB . 19841 1 533 . 1 1 49 49 PRO CG C 13 27.031 0.000 . 1 . . . A 49 PRO CG . 19841 1 534 . 1 1 49 49 PRO CD C 13 50.889 0.000 . 1 . . . A 49 PRO CD . 19841 1 535 . 1 1 50 50 SER H H 1 7.503 0.004 . 1 . . . A 50 SER H . 19841 1 536 . 1 1 50 50 SER HA H 1 4.650 0.008 . 1 . . . A 50 SER HA . 19841 1 537 . 1 1 50 50 SER HB2 H 1 4.341 0.006 . 2 . . . A 50 SER HB2 . 19841 1 538 . 1 1 50 50 SER HB3 H 1 3.895 0.004 . 2 . . . A 50 SER HB3 . 19841 1 539 . 1 1 50 50 SER CA C 13 58.921 0.000 . 1 . . . A 50 SER CA . 19841 1 540 . 1 1 50 50 SER CB C 13 63.136 0.000 . 1 . . . A 50 SER CB . 19841 1 541 . 1 1 50 50 SER N N 15 111.068 0.000 . 1 . . . A 50 SER N . 19841 1 542 . 1 1 51 51 GLN H H 1 8.227 0.007 . 1 . . . A 51 GLN H . 19841 1 543 . 1 1 51 51 GLN HA H 1 4.675 0.001 . 1 . . . A 51 GLN HA . 19841 1 544 . 1 1 51 51 GLN HB2 H 1 2.056 0.004 . 2 . . . A 51 GLN HB2 . 19841 1 545 . 1 1 51 51 GLN HB3 H 1 2.059 0.000 . 2 . . . A 51 GLN HB3 . 19841 1 546 . 1 1 51 51 GLN HG2 H 1 2.190 0.005 . 2 . . . A 51 GLN HG2 . 19841 1 547 . 1 1 51 51 GLN HG3 H 1 2.353 0.004 . 2 . . . A 51 GLN HG3 . 19841 1 548 . 1 1 51 51 GLN HE21 H 1 7.553 0.003 . 2 . . . A 51 GLN HE21 . 19841 1 549 . 1 1 51 51 GLN HE22 H 1 6.949 0.007 . 2 . . . A 51 GLN HE22 . 19841 1 550 . 1 1 51 51 GLN CA C 13 55.021 0.000 . 1 . . . A 51 GLN CA . 19841 1 551 . 1 1 51 51 GLN CB C 13 33.062 0.000 . 1 . . . A 51 GLN CB . 19841 1 552 . 1 1 51 51 GLN CG C 13 35.425 0.000 . 1 . . . A 51 GLN CG . 19841 1 553 . 1 1 51 51 GLN N N 15 120.950 0.000 . 1 . . . A 51 GLN N . 19841 1 554 . 1 1 51 51 GLN NE2 N 15 110.088 0.000 . 1 . . . A 51 GLN NE2 . 19841 1 555 . 1 1 52 52 SER H H 1 7.640 0.004 . 1 . . . A 52 SER H . 19841 1 556 . 1 1 52 52 SER HA H 1 4.491 0.003 . 1 . . . A 52 SER HA . 19841 1 557 . 1 1 52 52 SER HB2 H 1 3.550 0.000 . 2 . . . A 52 SER HB2 . 19841 1 558 . 1 1 52 52 SER HB3 H 1 3.750 0.002 . 2 . . . A 52 SER HB3 . 19841 1 559 . 1 1 52 52 SER CA C 13 56.428 0.000 . 1 . . . A 52 SER CA . 19841 1 560 . 1 1 52 52 SER CB C 13 65.576 0.000 . 1 . . . A 52 SER CB . 19841 1 561 . 1 1 52 52 SER N N 15 111.494 0.000 . 1 . . . A 52 SER N . 19841 1 562 . 1 1 53 53 PHE H H 1 8.275 0.006 . 1 . . . A 53 PHE H . 19841 1 563 . 1 1 53 53 PHE HA H 1 4.406 0.001 . 1 . . . A 53 PHE HA . 19841 1 564 . 1 1 53 53 PHE HB2 H 1 2.950 0.004 . 2 . . . A 53 PHE HB2 . 19841 1 565 . 1 1 53 53 PHE HB3 H 1 2.600 0.004 . 2 . . . A 53 PHE HB3 . 19841 1 566 . 1 1 53 53 PHE HD1 H 1 6.899 0.006 . 3 . . . A 53 PHE HD1 . 19841 1 567 . 1 1 53 53 PHE HD2 H 1 6.899 0.006 . 3 . . . A 53 PHE HD2 . 19841 1 568 . 1 1 53 53 PHE HE1 H 1 6.661 0.004 . 3 . . . A 53 PHE HE1 . 19841 1 569 . 1 1 53 53 PHE HE2 H 1 6.661 0.004 . 3 . . . A 53 PHE HE2 . 19841 1 570 . 1 1 53 53 PHE HZ H 1 6.766 0.007 . 1 . . . A 53 PHE HZ . 19841 1 571 . 1 1 53 53 PHE CA C 13 60.287 0.000 . 1 . . . A 53 PHE CA . 19841 1 572 . 1 1 53 53 PHE CB C 13 39.905 0.000 . 1 . . . A 53 PHE CB . 19841 1 573 . 1 1 53 53 PHE CD1 C 13 131.589 0.000 . 3 . . . A 53 PHE CD1 . 19841 1 574 . 1 1 53 53 PHE CE1 C 13 129.869 0.000 . 3 . . . A 53 PHE CE1 . 19841 1 575 . 1 1 53 53 PHE CZ C 13 129.482 0.000 . 1 . . . A 53 PHE CZ . 19841 1 576 . 1 1 53 53 PHE N N 15 120.440 0.000 . 1 . . . A 53 PHE N . 19841 1 577 . 1 1 54 54 ILE H H 1 8.445 0.007 . 1 . . . A 54 ILE H . 19841 1 578 . 1 1 54 54 ILE HA H 1 4.639 0.001 . 1 . . . A 54 ILE HA . 19841 1 579 . 1 1 54 54 ILE HB H 1 1.593 0.002 . 1 . . . A 54 ILE HB . 19841 1 580 . 1 1 54 54 ILE HG12 H 1 0.841 0.005 . 2 . . . A 54 ILE HG12 . 19841 1 581 . 1 1 54 54 ILE HG13 H 1 0.832 0.002 . 2 . . . A 54 ILE HG13 . 19841 1 582 . 1 1 54 54 ILE HG21 H 1 0.793 0.000 . 1 . . . A 54 ILE HG21 . 19841 1 583 . 1 1 54 54 ILE HG22 H 1 0.793 0.000 . 1 . . . A 54 ILE HG22 . 19841 1 584 . 1 1 54 54 ILE HG23 H 1 0.793 0.000 . 1 . . . A 54 ILE HG23 . 19841 1 585 . 1 1 54 54 ILE HD11 H 1 0.082 0.005 . 1 . . . A 54 ILE HD11 . 19841 1 586 . 1 1 54 54 ILE HD12 H 1 0.082 0.005 . 1 . . . A 54 ILE HD12 . 19841 1 587 . 1 1 54 54 ILE HD13 H 1 0.082 0.005 . 1 . . . A 54 ILE HD13 . 19841 1 588 . 1 1 54 54 ILE CA C 13 59.721 0.000 . 1 . . . A 54 ILE CA . 19841 1 589 . 1 1 54 54 ILE CB C 13 41.361 0.000 . 1 . . . A 54 ILE CB . 19841 1 590 . 1 1 54 54 ILE CG1 C 13 25.020 0.000 . 1 . . . A 54 ILE CG1 . 19841 1 591 . 1 1 54 54 ILE CG2 C 13 17.424 0.000 . 1 . . . A 54 ILE CG2 . 19841 1 592 . 1 1 54 54 ILE CD1 C 13 12.484 0.000 . 1 . . . A 54 ILE CD1 . 19841 1 593 . 1 1 54 54 ILE N N 15 117.110 0.000 . 1 . . . A 54 ILE N . 19841 1 594 . 1 1 55 55 ASN H H 1 8.889 0.008 . 1 . . . A 55 ASN H . 19841 1 595 . 1 1 55 55 ASN HA H 1 4.289 0.004 . 1 . . . A 55 ASN HA . 19841 1 596 . 1 1 55 55 ASN HB2 H 1 3.009 0.015 . 2 . . . A 55 ASN HB2 . 19841 1 597 . 1 1 55 55 ASN HB3 H 1 3.081 0.003 . 2 . . . A 55 ASN HB3 . 19841 1 598 . 1 1 55 55 ASN HD21 H 1 7.048 0.004 . 2 . . . A 55 ASN HD21 . 19841 1 599 . 1 1 55 55 ASN HD22 H 1 7.177 0.008 . 2 . . . A 55 ASN HD22 . 19841 1 600 . 1 1 55 55 ASN CA C 13 54.121 0.000 . 1 . . . A 55 ASN CA . 19841 1 601 . 1 1 55 55 ASN CB C 13 37.095 0.000 . 1 . . . A 55 ASN CB . 19841 1 602 . 1 1 55 55 ASN N N 15 113.121 0.000 . 1 . . . A 55 ASN N . 19841 1 603 . 1 1 55 55 ASN ND2 N 15 113.123 0.000 . 1 . . . A 55 ASN ND2 . 19841 1 604 . 1 1 56 56 GLY H H 1 8.893 0.002 . 1 . . . A 56 GLY H . 19841 1 605 . 1 1 56 56 GLY HA2 H 1 3.607 0.005 . 2 . . . A 56 GLY HA2 . 19841 1 606 . 1 1 56 56 GLY HA3 H 1 3.857 0.006 . 2 . . . A 56 GLY HA3 . 19841 1 607 . 1 1 56 56 GLY CA C 13 45.800 0.000 . 1 . . . A 56 GLY CA . 19841 1 608 . 1 1 56 56 GLY N N 15 107.932 0.000 . 1 . . . A 56 GLY N . 19841 1 609 . 1 1 57 57 GLU H H 1 7.594 0.006 . 1 . . . A 57 GLU H . 19841 1 610 . 1 1 57 57 GLU HA H 1 4.560 0.003 . 1 . . . A 57 GLU HA . 19841 1 611 . 1 1 57 57 GLU HB2 H 1 2.089 0.008 . 2 . . . A 57 GLU HB2 . 19841 1 612 . 1 1 57 57 GLU HB3 H 1 2.426 0.009 . 2 . . . A 57 GLU HB3 . 19841 1 613 . 1 1 57 57 GLU HG2 H 1 2.475 0.008 . 2 . . . A 57 GLU HG2 . 19841 1 614 . 1 1 57 57 GLU HG3 H 1 2.505 0.010 . 2 . . . A 57 GLU HG3 . 19841 1 615 . 1 1 57 57 GLU CA C 13 55.671 0.000 . 1 . . . A 57 GLU CA . 19841 1 616 . 1 1 57 57 GLU CB C 13 30.016 0.000 . 1 . . . A 57 GLU CB . 19841 1 617 . 1 1 57 57 GLU CG C 13 37.388 0.000 . 1 . . . A 57 GLU CG . 19841 1 618 . 1 1 57 57 GLU N N 15 119.260 0.000 . 1 . . . A 57 GLU N . 19841 1 619 . 1 1 58 58 SER H H 1 8.219 0.005 . 1 . . . A 58 SER H . 19841 1 620 . 1 1 58 58 SER HA H 1 2.958 0.006 . 1 . . . A 58 SER HA . 19841 1 621 . 1 1 58 58 SER HB2 H 1 3.330 0.009 . 2 . . . A 58 SER HB2 . 19841 1 622 . 1 1 58 58 SER HB3 H 1 3.423 0.007 . 2 . . . A 58 SER HB3 . 19841 1 623 . 1 1 58 58 SER CA C 13 56.966 0.000 . 1 . . . A 58 SER CA . 19841 1 624 . 1 1 58 58 SER CB C 13 64.747 0.000 . 1 . . . A 58 SER CB . 19841 1 625 . 1 1 58 58 SER N N 15 109.893 0.000 . 1 . . . A 58 SER N . 19841 1 626 . 1 1 59 59 LEU H H 1 7.628 0.008 . 1 . . . A 59 LEU H . 19841 1 627 . 1 1 59 59 LEU HA H 1 5.089 0.003 . 1 . . . A 59 LEU HA . 19841 1 628 . 1 1 59 59 LEU HB2 H 1 1.725 0.000 . 2 . . . A 59 LEU HB2 . 19841 1 629 . 1 1 59 59 LEU HB3 H 1 1.322 0.006 . 2 . . . A 59 LEU HB3 . 19841 1 630 . 1 1 59 59 LEU HG H 1 1.374 0.007 . 1 . . . A 59 LEU HG . 19841 1 631 . 1 1 59 59 LEU HD11 H 1 0.772 0.006 . 2 . . . A 59 LEU HD11 . 19841 1 632 . 1 1 59 59 LEU HD12 H 1 0.772 0.006 . 2 . . . A 59 LEU HD12 . 19841 1 633 . 1 1 59 59 LEU HD13 H 1 0.772 0.006 . 2 . . . A 59 LEU HD13 . 19841 1 634 . 1 1 59 59 LEU HD21 H 1 0.807 0.001 . 2 . . . A 59 LEU HD21 . 19841 1 635 . 1 1 59 59 LEU HD22 H 1 0.807 0.001 . 2 . . . A 59 LEU HD22 . 19841 1 636 . 1 1 59 59 LEU HD23 H 1 0.807 0.001 . 2 . . . A 59 LEU HD23 . 19841 1 637 . 1 1 59 59 LEU CA C 13 52.828 0.000 . 1 . . . A 59 LEU CA . 19841 1 638 . 1 1 59 59 LEU CB C 13 46.525 0.000 . 1 . . . A 59 LEU CB . 19841 1 639 . 1 1 59 59 LEU CG C 13 26.970 0.000 . 1 . . . A 59 LEU CG . 19841 1 640 . 1 1 59 59 LEU CD1 C 13 25.789 0.000 . 2 . . . A 59 LEU CD1 . 19841 1 641 . 1 1 59 59 LEU CD2 C 13 23.445 0.000 . 2 . . . A 59 LEU CD2 . 19841 1 642 . 1 1 59 59 LEU N N 15 120.210 0.000 . 1 . . . A 59 LEU N . 19841 1 643 . 1 1 60 60 ALA H H 1 9.310 0.001 . 1 . . . A 60 ALA H . 19841 1 644 . 1 1 60 60 ALA HA H 1 4.671 0.008 . 1 . . . A 60 ALA HA . 19841 1 645 . 1 1 60 60 ALA HB1 H 1 1.284 0.004 . 1 . . . A 60 ALA HB1 . 19841 1 646 . 1 1 60 60 ALA HB2 H 1 1.284 0.004 . 1 . . . A 60 ALA HB2 . 19841 1 647 . 1 1 60 60 ALA HB3 H 1 1.284 0.004 . 1 . . . A 60 ALA HB3 . 19841 1 648 . 1 1 60 60 ALA CA C 13 50.721 0.000 . 1 . . . A 60 ALA CA . 19841 1 649 . 1 1 60 60 ALA CB C 13 23.163 0.000 . 1 . . . A 60 ALA CB . 19841 1 650 . 1 1 60 60 ALA N N 15 127.751 0.000 . 1 . . . A 60 ALA N . 19841 1 651 . 1 1 61 61 SER H H 1 8.644 0.014 . 1 . . . A 61 SER H . 19841 1 652 . 1 1 61 61 SER HA H 1 4.618 0.003 . 1 . . . A 61 SER HA . 19841 1 653 . 1 1 61 61 SER HB2 H 1 3.973 0.008 . 2 . . . A 61 SER HB2 . 19841 1 654 . 1 1 61 61 SER HB3 H 1 3.895 0.008 . 2 . . . A 61 SER HB3 . 19841 1 655 . 1 1 61 61 SER CA C 13 58.021 0.000 . 1 . . . A 61 SER CA . 19841 1 656 . 1 1 61 61 SER CB C 13 63.134 0.000 . 1 . . . A 61 SER CB . 19841 1 657 . 1 1 61 61 SER N N 15 114.104 0.000 . 1 . . . A 61 SER N . 19841 1 658 . 1 1 62 62 GLY H H 1 8.094 0.009 . 1 . . . A 62 GLY H . 19841 1 659 . 1 1 62 62 GLY HA2 H 1 3.226 0.003 . 2 . . . A 62 GLY HA2 . 19841 1 660 . 1 1 62 62 GLY HA3 H 1 4.649 0.007 . 2 . . . A 62 GLY HA3 . 19841 1 661 . 1 1 62 62 GLY CA C 13 44.473 0.000 . 1 . . . A 62 GLY CA . 19841 1 662 . 1 1 62 62 GLY N N 15 112.403 0.000 . 1 . . . A 62 GLY N . 19841 1 663 . 1 1 63 63 GLY H H 1 7.960 0.008 . 1 . . . A 63 GLY H . 19841 1 664 . 1 1 63 63 GLY HA2 H 1 3.885 0.002 . 2 . . . A 63 GLY HA2 . 19841 1 665 . 1 1 63 63 GLY HA3 H 1 4.326 0.001 . 2 . . . A 63 GLY HA3 . 19841 1 666 . 1 1 63 63 GLY CA C 13 43.971 0.000 . 1 . . . A 63 GLY CA . 19841 1 667 . 1 1 63 63 GLY N N 15 108.718 0.000 . 1 . . . A 63 GLY N . 19841 1 668 . 1 1 64 64 ARG H H 1 8.687 0.003 . 1 . . . A 64 ARG H . 19841 1 669 . 1 1 64 64 ARG HA H 1 5.018 0.007 . 1 . . . A 64 ARG HA . 19841 1 670 . 1 1 64 64 ARG HB2 H 1 1.963 0.001 . 2 . . . A 64 ARG HB2 . 19841 1 671 . 1 1 64 64 ARG HB3 H 1 1.767 0.007 . 2 . . . A 64 ARG HB3 . 19841 1 672 . 1 1 64 64 ARG HG2 H 1 1.702 0.004 . 2 . . . A 64 ARG HG2 . 19841 1 673 . 1 1 64 64 ARG HG3 H 1 1.620 0.003 . 2 . . . A 64 ARG HG3 . 19841 1 674 . 1 1 64 64 ARG HD2 H 1 3.227 0.011 . 2 . . . A 64 ARG HD2 . 19841 1 675 . 1 1 64 64 ARG HD3 H 1 3.212 0.000 . 2 . . . A 64 ARG HD3 . 19841 1 676 . 1 1 64 64 ARG CA C 13 54.717 0.000 . 1 . . . A 64 ARG CA . 19841 1 677 . 1 1 64 64 ARG CB C 13 31.111 0.000 . 1 . . . A 64 ARG CB . 19841 1 678 . 1 1 64 64 ARG CG C 13 26.678 0.000 . 1 . . . A 64 ARG CG . 19841 1 679 . 1 1 64 64 ARG CD C 13 42.455 0.000 . 1 . . . A 64 ARG CD . 19841 1 680 . 1 1 64 64 ARG N N 15 122.466 0.000 . 1 . . . A 64 ARG N . 19841 1 681 . 1 1 65 65 CYS H H 1 7.790 0.010 . 1 . . . A 65 CYS H . 19841 1 682 . 1 1 65 65 CYS HA H 1 4.428 0.001 . 1 . . . A 65 CYS HA . 19841 1 683 . 1 1 65 65 CYS HB2 H 1 3.030 0.003 . 2 . . . A 65 CYS HB2 . 19841 1 684 . 1 1 65 65 CYS HB3 H 1 3.329 0.008 . 2 . . . A 65 CYS HB3 . 19841 1 685 . 1 1 65 65 CYS CA C 13 56.274 0.000 . 1 . . . A 65 CYS CA . 19841 1 686 . 1 1 65 65 CYS CB C 13 47.818 0.000 . 1 . . . A 65 CYS CB . 19841 1 687 . 1 1 65 65 CYS N N 15 123.346 0.000 . 1 . . . A 65 CYS N . 19841 1 stop_ save_